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MICRESS user`s documentation

1. sometimes convenient to start MICRESS by right pes je ENTES Synchronize clicking it therefore dispensing of the need of dragging and dropping it on the binary or a link to f Folders it This can be quite easily done by editing the fie PICAA UIE association for text files open Windows Explorer and click on the Tools and Folder options General View File Types Offline Files then go to File Types select Text Document Registered file types and click Advanced In the Edit File Type dialog add a new Action called Run MICRESS simulation for example pointing to your MICRESS binary and click OK once more OK and Apply you can now run a Piccola Genes simulation by right clicking on a driving file a onet Erota selecting Run MICRESS simulation 2 VBScript Encoded Script File WDC arint Carint Cila Extensions File Types TrueType Fort file Text Document Microsoft Data Link v Edit File Type Details for TXT extension Opens with Notepad Files with extension TXT are of type Text Document To change settings that affect all Text Document files click Advanced Advanced Ext Document Jim Change Icon Actions open print printto Set Default C Confirm open after download C Always show extension New Action Action Sa Run MICRESS simulation Lox J cam
2. 18 Multi Phase Field Model for Solid State Transformation with Elastic Strain Steinbach M Apel In Physica D 217 2006 153 160 19 Multiphase Field approach for multicomponent alloys with extrapolation scheme for numerical application J Eiken B Boettger Steinbach In Phys Rev E 73 066122 2006 MICRESS user s manual 80 98 Appendix 11 3 MICRESS license Binary Code License Agreement READ THE TERMS OF THIS AGREEMENT AND ANY PROVIDED SUPPLEMENTAL LICENSE TERMS COLLECTIVELY AGREEMENT CAREFULLY BEFORE AGREEING TO IT USE ONLY AFTER COMPLYING WITH ALL TERMS AND CONDITIONS BELOW 11 3 1 License to Use ACCESS e V Materials amp Processes ACCESS grants you a non exclusive and non transferable license for the internal use only of the accompanying MICRESS software documentation and any error corrections provided by ACCESS collectively Software by the number of users and the class of computer hardware for which the corresponding fee has been paid according to the licensing options under 2 Acknowledgement of ACCESS s provision of the MICRESS software in publications reports and other materials presenting results being generated using the MICRESS software is appreciated but not required 11 3 2 Restrictions Software is confidential and copyrighted Title to Software and all associated intellectual property rights is retained by ACCESS Except as specifically authorized in any Supplemental License
3. microstructure evolution simulation software Release 5 3 October 2007 User s Manu dC0tS powered by technology by technology User Documentation Version gt V53 Date October 2007 ACCESS e V Intzestr 5 52072 Aachen Resolution of partial differential equations is more about art than science Apocryphal quotation from Numerical Recipes in Fortran 2 2 4 except for large values of 2 Anonymous 42 Douglas Adams Table of contents 1 Table of contents INTRODUCTION 1 1 Scope of the software MICRESS 1 2 Contact in case of problems WHAT S NEW IN VERSION 5 3 2 1 Speed enhancement 2 2 Averaging 2 3 Curvature undercooling and nucleation 2 4 Stoichiometric phases 2 5 Grain data output 2 6 Compressed results 2 7 Messages 2 8 CygWin INSTALLATION 3 1 System requirements 3 2 Other platforms 3 3 MICRESS distribution files 3 4 Installation Procedure 3 5 MICRESS license 3 6 Thermo Calc license RUNNING MICRESS 4 1 Preparing the input data pre processing 4 2 Start the calculation 4 3 Check the output DRIVING FILES 5 1 Switching to keyboard input 5 2 MICRESS License 5 3 Language settings 5 4 Dimension parameters 5 5 Restart 5 6 Output name 5 7 Outputs 5 8 Time input data 5 9 Phase data 5 10 Grain input data 5 11 Nucleation parameters 5 12 Phase interaction data 5 13 Diffusion data 5 14 Phase diagram
4. MICRESS user s manual Moving frame system in z direction Options moving_frame no_moving_frame moving_frame Should the distance or the bottom temperature be used as criterion for moving frame Options distance At which distance from the upper boundary the frame should be moved real micrometers 200 0000 Store data shifted out of moving frame system Options out_moving_frame no_out_moving_frame no_out_moving_frame distance temperature Gesamt data whole simulation area is directed by the Current area normal output ve S a aS A 38 98 Driving files The boundary conditions should be set for phase field concentration ns Boundary conditions for phase field in each direction temperature and Options i insulation s symmetric p periodic wrap around g gradient f fixed displacement field Sequence E W N S if 3D B T borders pppp depending on the type of P ee eas Boundary conditions for concentration field in each direction coupling which had been Options i insulation s symmetric p periodic wrap around g gradient f fixed Sequence E W N S if 3D B T borders defined in the beginning pppp Unit cell model symmetric with respect to the x y diagonal plane Options unit_cell_symm no_unit_cell_symm can be insulation periodic no_unit_cell_symm The boundary conditions wrap around symm
5. Post processing Display D L Display length scale D M Set length scale to be displayed D F Flip length scale horizontal to vertical D Z Zoom in D Y Zoom out D X Revert to previous zoom settings D 3 Three folded symmetry D 4 Four folded symmetry D 9 Nine folded symmetry D C Switch between mirror and translation symmetry D G Display grid D H Set number of grid lines D T RGB triangle display D Miller Indices display D D Display the difference of two results D N Logarithmic scale D A Display absolute value of results Vector field B 2 Vector field display B 3 3D vector field display B S Modify settings for vector field display B X Display vector scale B B Modify colour of vectors lsolines I D Display isolines I 1 9 Add 1 9 automatic isolines I N Add arbitrary number of automatic isolines I A Add user defined isolines I R Remove an isoline I S Remove all isolines I V Print the values of the current isolines I B Bi coloured isolines l W Write a list of the coordinates of contour points X Same as above for all time steps 3D 3 X Cutting plane type perpendicular to X axis 3 Y Cutting plane type perpendicular to Y axis 3 Z Cutting plane type perpendicular to Z axis 3 U Move cutting plane up 3 D Move cutting plane down
6. 10 0000000 Moving frame system in z direction Options moving_frame no_moving_frame no_moving_frame Boundary conditions for phase field in each direction Options i insulation s symmetric p periodic wrap around g gradient Sp Sh Se Sh Sh Se Oe WH f fixed Sequence E W N S if 3D B T borders PPPP Boundary conditions for phase field in each direction Options i insulation s symmetric p periodic wrap around g gradient f fixed Sequence E W N S if 3D B T borders PPPP Unit cell model symmetric with respect to the x y diagonal plane Options unit_cell_symm no_unit_cell_symm no_unit_cell_symm MICRESS user s manual 97 98 Appendix Other numerical parameters Phase minimum OOE 04 Interface thickness in cells 00 Sp Se Ol Se FS Se Se MICRESS user s manual 98 98
7. 3 S Explicitly set cutting plane level intercept on axis MICRESS user s manual 53 98 Post processing Outputs O I Write an Image output of current time step O J Write images output of each time step O L Toggle on and off writing of larger images O H Toggle on and off writing of high resolution images O A Write an ASCII output of current time step O B Write ASCII outputs of each time step O N Switch between time stamp and numbering markers O C Write an image of the colour scale O T Write PNG images with transparent background O 0O Write PNG images with opaque background O G Write GIF Graphics Interchange Format images O P Write post script images O D Accept default names Virtual EDX E D Display virtual EDX scan for current time step E E Same as above for all time steps E C Same as above for a selection of time steps E X Virtual EDX on a line parallel to the X axis E Y Virtual EDX on a line parallel to the Y axis E R Re plot scan line E S Re scan scan line E N Toggle on and off normalising the scans E F Front tracking E P Scan point Virtual EDX outputs R T Text output for current time step R U Text output for all time steps R l Scan position output for current time step R J Scan position output for all time
8. where t f the resulting growth rate exponent m was Average grain radius um 0 551 which agrees quite well with the theoretical prediction of 0 5 The staggered and n 0 551 fluctuating look of the curve 0 100 200 300 400 500 600 700 800 900 1000 from 200s on is due to the Time s relative paucity of the statistics only 53 grains and less than 40 from then on The Von Neumann Mullins 100 relation states that the growth rate of a grain is proportional to its number of sides 10 dA dt where A is the area of a grain rxmx x n 6 y the surface tension m the interface mobility and n the on number of sides The number i l l l I e p A I I I I of neighbours of a grain was dii used as a proxy for its number 2 4 6 8 10 of sides The grains where Number of neighbours number sorted into classes according to their number of neighbours and the derivative of the surface was then averaged per class The data was fitted with a least square method weighted with the class population the correlation coefficient was r 0 9997 and the predicted stable configuration was 6 024 neighbours which is in accordance with the theory MICRESS user s manual 67 98 lt Grain nb gt number Standard examples 9 5 Phosphorus peak These two examples P_Peak_1D_dri and P_Peak_2D_ dri show f
9. Flags and settings Grid size for 2D calculations AnzY 1 for 1D calculations AnzX 1 AnzY 1 Anzx 250 Anzy 1 Anzz 250 Cell dimension grid spacing in micrometers 0 25000000 Type of coupling Options phase concentration temperature temp_cyl_coord stress stress coupled flow concentration Type of potential Options double_obstacle double_obstacle Enable averaging of the driving force along the normal to the interface Options averaging no_averaging averaging Enable one dimensional far field approximation for diffusion Options 1d_far_field no_1d_far_field no_1d_far_field Shall an additional 1D field be defined in z direction for temperature coupling Options no_ld_temp 1d_temp l1d_temp_cylinder 1d_temp_polar no_ld_temp Phase field data structure double_well Coefficient for initial dimension of field iFace minimum usage target usage 0 1 Coefficient for initial dimension of field nTupel minimum usage target usage 0 1 16 98 Driving files diffusion can enabled with 1d_far_field or no_1d_far_fiela when activated the user is asked for the length in cells of the 1D external extension purely 1D extension to the domain which can be used to resolve long concentration profile without having to increase the calculation domain itself unduly and additional files describing the concentration profiles outsid
10. Selection of the outputs Restart data output Options out_restart no_out_restart out_restart Grain number output Options out_grains out_grains Phase number output no_out_grains Options out_phases no_out_phases out_phases Fraction output Options out_fraction no_out_fraction no_out_fraction Average fraction table Options tab_fractions tab_fractions Interface output Options out_interface out_interface Driving force output Options out_driv_force out_driv_force Interface mobility output Options out_mobility no_out_mobility Curvature output Options out_curvature no_out_curvature Interface velocity output Options out_velocity no_out_velocity Should the grain time file be written out Options tab_grains no_tab_grains tab_grains Should the von Neumann Mullins output be written Options tab_vnm no_tab_vnm no_tab_vnm Should the grain data output be written out Options tab_grain_data no_tab_grain_data no_tab_grain_data Temperature output Options out_temp no_out_temp Concentration output Options out_conc out_conc Concentration of reference phase output Options out_conc_phase no_out_conc_phase no_out_conc_phase Average concentration per phase and extrema Options tab_conc no_tab_conc no_tab_conc Recrystallisation output Options out_recrystall no_out_recrystall no_tab_fractions
11. Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer a MICRESS user s manual 91 98 Appendix Input data for grain number 8 Geometry Options round rectangular eLLiptie round x z coordinates micrometers grain number 8 2 1550000 2 4900000 Grain radius micrometers 27 945000 Shall grain 8 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Input data for grain number 9 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 9 42 174999 4 6100001 Grain radius micrometers 24 150000 Shall grain 9 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Data for further nucleation Enable further nucleation Options nucleation no_nucleation nucleation Additional output for nucleation Options out_nucleation no_out_nucleation no_out_nucleation Data for further nucleation a a A Number of types of seeds 3 MICRESS user s manual 92 98 Appendix Input for seed type 1 ee Type of posi
12. concentration Cwt MICRESS user s manual 33 98 Driving files 5 14 2 Thermo Calc coupling via its TQ interface Totes hento de coupiioya Cee is needed this is the first input to be supplied Is a thermodynamic database to be used Options database no_database ati database The frequency for complete relinearization Name of Thermo Calc GES5 file without extension has to be set GES_Files Al_Cu Frequency for complete relinearization s 100 Then in a similar way to what is done without Input of the phase diagram of phase O and phase 1 coupling the phase interactions are gone Which phase diagram is to be used Options database linear through each equilibrium can be described by database S Maximal allowed local temperature deviation K the TQ interface of Thermo Calc or with a 1 linearised phase diagram in which case the E contains the following components input is similar to 5 10 1 this is set with TC CU a Specify relation between component indices Micress gt TC or linear The main component has in MICRESS the index 0 Thermo Calc index of MICRESS component 0 1 If Thermo Calc is used a maximum Thermo Calc index of MICRESS component 1 2 temperature deviation for re linearization has The database contains 2 phases B l LIQUID to be specified Setting a high value speeds FCC_A1 mere Specify relation betw
13. no_out_interface no_out_driv_force no_out_mobility no_out_curvature no_out_velocity no_out_temp no_out_conc no_out_recrystall MICRESS user s manual append unix windows non_native out rest wallclock time h korn phas no_interfaces frac phase number TabF front_temperature intf sharp driv mueS krum vel TabK fextra standard TabN TabGD temp conc list of comp cPha phase nb l of comp TabC rex 88 98 Appendix Recrystallysed fraction output TabR Options tab_recrystall no_tab_recrystall no_tab_recrystall Miller Indices output mill Options out_miller no_out_miller no_out_miller Orientation output orie Options out_orientation no_out_orientation no_out_orientation Should the orientation time file be written out TabO Options tab_orientation no_tab_orientation no_tab_orientation Should monitoring outputs be written out TabL Options tab_log simulation time s wallclock time min no_tab_log tab_log 0 25 Time input data Finish input of output times in seconds with end_of_simulation regularly spaced outputs can be set with linear_step or logarithmic_step and then specifying the increment and end value 00 25 01 00 linear_step 00 50 10 00 linear_step 01 00 25 0
14. s manual 85 98 Appendix 11 3 10 Severability If any provision of this Agreement is held to be unenforceable this Agreement will remain in effect with the provision omitted unless omission would frustrate the intent of the parties in which case this Agreement will immediately terminate 11 3 11 Integration This Agreement is the entire agreement between you and ACCESS relating to its subject matter It supersedes all prior or contemporaneous oral or written communications proposals representations and warranties and prevails over any conflicting or additional terms of any quote order acknowledgment or other communication between the parties relating to its subject matter during the term of this Agreement No modification of this Agreement will be binding unless in writing and signed by an authorized representative of each party For inquiries please contact ACCESS e V Support MICRESS Intzestr 5 D 52072 Aachen Germany phone 49 241 80 98000 Fax 49 241 38578 email support micress access rwth aachen de MICRESS user s manual 86 98 Appendix 11 4 Driving file Automatic Driving File written out by MICRESS Type of input version number 5 307 Linux compiled 05 10 2007 single precision binary permanent license Language settings Please select a language English Deutsch or Francais nglish Flags and settings Geometry Grid size for 2D ca
15. In Fortran Peaced INTEGER INTEGER REAL REAL REAL ALLOCATABLE ES Open GeoF file OPEN UNIT Unit_GeoF FORM UNFORMATTED amp fe nad Read from GeoF file READ UNIT Unit GeoF besa I I Open result file Nb_Pts_X Nb_Pts_Y Nb_Pts_Z Nb_Points X Y Z Grid_Spacing X Grid_Spacing_Y Grid_Spacing Z Time Result Data FILE TRIM GeoF File Name amp ACTION READ ACCESS SEQUENTIAL amp STATUS OLD IOSTAT IO Stat IOSTAT IO Stat Nb Pts X Nb Pts Y amp Nb Pts Z Grid Spacing X Grid_Spacing Y Grid Spacing Z OPEN UNIT Unit _Result FILE TRIM Result_File Name amp amp FORM UNFORMATTED ACTION READ ACCESS SEQUENTIAL amp amp STATUS OLD IOSTAT IO Stat Leda Read from result file ee ae a ya gy ae Sa a pace READ UNIT Unit _Result IOSTAT IO Stat Time Nb Points amp amp Result_Data x y z x 1 Nb Pts X amp amp y 1 Nb Pts Y z 1 Nb Pts Z I eawal MICRESS user s manual 73 98 Fully Answered Questions 10 1 3 In Perl He HE HR FE FEE He SH HE ER FEE SH HE SHE HR EE Open GeoF file if open GEOF lt GeoF_ File Name print Error while opening GeoF_ File Name n E n n exit if binmode GEOF print Error while setting file to binmode GeoF_File Name F n E a j
16. July 9th 1998 Copyright C 1995 1998 Jean loup Gailly and Mark Adler This software is provided as is without any express or implied warranty In no event will the authors be held liable for any damages arising from the use of this software Permission is granted to anyone to use this software for any purpose including commercial applications and to alter it and redistribute it freely subject to the following restrictions 1 The origin of this software must not be misrepresented you must not claim that you wrote the original software If you use this software in a product an acknowledgment in the product documentation would be appreciated but is not required 2 Altered source versions must be plainly marked as such and must not be misrepresented as being the original software 3 This notice may not be removed or altered from any source distribution Jean loup Gailly Mark Adler jloup gzip org madler alumni caltech edu The data format used by the zlib library is described by RFCs Request for Comments 1950 to 1952 in the files ftp ds internic net rfc rfc1950 txt zlib format rfcl951 txt deflate format and rfc1952 txt gzip format MICRESS user s manual 56 98 Post processing 7 3 2 Copyright notice of PGPlot Display_MICRESS KEEK K K fe K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K a PGPLOT Fortran Graphics
17. K K K K K K KK K K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K b libPNG The object code of Display MICRESS has been created including source code from the PNG library www libpng org pub png pngcode html The PNG Reference Library is supplied AS IS The Contributing Authors and Group 42 Inc disclaim all warranties expressed or implied including without limitation the warranties of merchantability and of fitness for any purpose The Contributing Authors and Group 42 Inc assume no liability for direct indirect incidental special exemplary or consequential damages which may result from the use of the PNG Reference Library even if advised of the possibility of such damage MICRESS user s manual 84 98 Appendix The Contributing Authors and Group 42 Inc specifically permit without fee and encourage the use of this source code as a component to supporting the PNG file format in commercial products c zlib Compression library used in DP_MICRESS for writing PNG images and compressing files www info zip org pub infozip zlib zlib h interface of the zlib general purpose compression library version 1 1 3 July 9th 1998 Copyright C 1995 1998 Jean loup Gailly and Mark Adler This software is provided as is without any express or implied warranty In no event will the authors be held liable for any damages arising from the use of this software Pe
18. Kinetic coefficient mu between phases 1 and 1 cm 4 Js describing this dependency has to r ne parameters in which case a text file be specified These files should consist of two columns the first being the temperature and the second the value of the corresponding mobility or surface energy at this temperature A linear interpolation will be performed between the values supplied by the user Please note that the check for the compliance of the mobility surface energy and constant time step with the stability criteria has been disabled in this case Another option for the mobility is the solute drag model from KTH where an effective mobility dependant on the driving force is used see article 14 of the references MICRESS user s manual 29 98 Driving files An additional flag can also be set to specify the interaction model to be used standard i e standard phase field equation particle pinning or solute drag These two models are described in the articles 6 and 7 of the references they are based on a two steps hysteresis description of the mobility respectively as a function of interface velocity for solute drag or driving force for particle pinning The solute drag effect is considered to be dependent on the mobility of the interface To model this behaviour three parameters are necessary the reduction of the mobility drag factor coefficient lt 1 correcting the mobility at low velocities the
19. Looking up the MICRESS forum should be the first step if you were to experience any difficulty as it is most likely to have the answer to your question chances are someone already asked the same if not do not hesitate to post a message it will be answered as soon as possible As was creatively phrased by someone who wishes to remain anonymous the forum is the main operating theatre of our Reliable Task Force for MICRESS which thrives to provide Responses Tailored For MICRESS MICRESS user s manual 7 98 What s new 2 What s new in version 5 3 2 1 Speed enhancement Some very noticeable improvement in speed could be achieved the memory usage in 2D was significantly decreased 2 2 Averaging The algorithm for the averaging along the normal to the interface has been improved The possibility of averaging not only along the normal itself but also with some deviation has been added which helps minimising the effects of the grid anisotropy 2 3 Curvature undercooling and nucleation The curvature undercooling can now be taken into account when evaluating nucleation undercooling at interfaces 2 4 Stoichiometric phases Using stoichiometric phases has become significantly less error prone and raises fewer numerical issues 2 5 Grain data output A new output is available specifying for each grain and output time the grain s number phase number its surface volume in 3D its derivative o
20. Terms you may not make copies of Software other than a single copy of Software for archival purposes Unless enforcement is prohibited by applicable law you may not modify decompile or reverse engineer Software You acknowledge that Software is not designed licensed or intended for use in the design construction operation or maintenance of any nuclear facility ACCESS disclaims any express or implied warranty of fitness for such uses No right title or interest in or to any trademark service mark logo or trade name of ACCESS is granted under this Agreement 11 3 3 Limited Warranty ACCESS warrants to you that for a period of ninety 90 days from the date of purchase as evidenced by a copy of the receipt the media on which Software is furnished if any will be free of defects in materials and workmanship under normal use Except for the foregoing Software is provided AS IS Your exclusive remedy and ACCESS s entire liability under this limited warranty will be at ACCESS s option to replace Software media or refund the fee paid for Software MICRESS user s manual 81 98 Appendix 11 3 4 DISCLAIMER OF WARRANTY UNLESS OTHERWISE SPECIFIED IN THIS AGREEMENT ALL EXPRESS OR IMPLIED CONDITIONS REPRESENTATIONS AND WARRANTIES INCLUDING ANY IMPLIED WARRANTY OF MERCHANTABILITY FITNESS FOR A PARTICULAR PURPOSE OR NON INFRINGEMENT ARE DISCLAIMED EXCEPT TO THE EXTENT THAT THESE DISCLAIMERS ARE HELD TO BE LEGALLY INVALID 11 3 5 L
21. also possible to zoom back with D X please note that only one set of zoom settings is saved If the simulation set up takes advantage on known symmetries or periodicities of the system and restricts the domain to part of the real space area it is sometimes handy to display respectively three four or nine times the simulation domain with respectively D 3 D 4 D 9 By default the copies of domain are mirrored but they can also be tranisated which can be toggled on and off with D C To allow readier positioning a grid can be displayed with D G The default number of subdivisions is 5 but this can be adjusted with D H Two additional display modes are available RGB triangle and Miller Indices respectively with D T and D both are based on operations on the colour table and can only be used for all the displayed results The RGB triangle mode available with three solutions only plots a composite of them where the colour of a cell is the corresponding intensity of red green and blue calculated from the displayed minimum and maximum The Miller indices output of MICRESS can also be colour coded in the traditional way contribution of 001 011 and 111 orientations When these display modes are activated the corresponding colour scale is plotted in a secondary window under Irix and Linux unfortunately not under Windows a separate picture can be written out instead When two results are displayed it i
22. and 2 J cm 3 K sacs 0 14900 relation data related to the equilibrium of Input of the concentrations at reference point phase 0 and 1 i e phase 1 and liquid Concentration of component 1 in phase 1 wt 0 32000E 02 0 and 2 and so on When all relations dissolved concentration in phase 2 wt Sa 0 15811E 03 concerning the liquid phase have been Concentration of component 2 in phase 1 wt D _ 0 17399 described those describing solid phases dissolved concentration in phase 2 wt 0 96288E 01 Input of the slopes at reference point others if needed The equilibrium Slope m_iPh dT dC_iPh relative to component 1 K wt 386 5673523 between phases which are not interacting Slope m_jPh dT dC_jPh relative to component 1 K wt 8036 549805 doesn t need to be described Slope m_iPh dT dC_iPh relative to component 2 K wt 39 82677078 Slope m_jPh dT dC_jPh relative to component 2 K wt They include the reference temperature 73 34864807 equilibrium have to be input 1 and 2 and at which the linearization was performed the entropy of transformation the concentration of each components in the considered phases and the corresponding slopes For multi component systems the descriptions reference temperature becomes lengthier but the formalism is the same temperature K oncentration 2 concentration 1 0 0 1 0 2 0 3 0 4 0 5 0
23. cutting plane position by moving it up increasing intercept coordinate or down with 3 U and 3 D or setting the value with 3 S 7 2 12 Outputs Display MICRESS supports image various formats and ASCII outputs All these are done with current display settings scale colour representation zoom parameters etc and can be done for current time step or batch processed meaning that they will be performed for all time steps Image output of current time step O of all time steps O J O L and O H respectively request writing out of larger or high resolution images MICRESS user s manual 48 98 Post processing ASCII output can be written out with O A and O B respectively without and with batch processing All the batch outputs have by default a name based on the time stamp from the current MICRESS output this can toggled on and off to numbering with O N An image of the colour scale only can be generated with O C Please note that the orientation of this image depends on the orientation of the annotations The default image driver is transparent background PNG Portable Networks Graphic which can be selected with the keys O T but can also be switched to opaque background PNG with O 0 or GIF Graphics Interchange Format with O G or PostScript with O P Changing the image driver affects both images and Virtual EDX outputs The writing of PNG images is unfortunately not available under Wind
24. data 5 15 Initial concentrations 5 16 Elastic material data 5 17 Temperature data 5 18 Latent heat parameters 5 19 Boundary conditions KNOWN ISSUES 6 1 Problems with some Linux distributions 6 2 Restarting simulations 6 3 T and stability criteria 6 4 Nucleation of liquid 6 5 Image drivers for Display MICRESS MICRESS user s manual ODNDDWDAWDA NOD Table of contents 7 POST PROCESSING 7 1 Available post processing tools 7 2 Display MICRESS 7 3 Libraries used by MICRESS and Display_MICRESS INSTALLING MICRESS 8 1 Installing MICRESS under Windows 8 2 Installing MICRESS under UNIX 8 3 Starting a FLEXIm license server under Windows STANDARD EXAMPLES 9 1 Aluminium copper 9 2 Delta gamma 9 3 Gammaz alpha 9 4 Grain growth 9 5 Phosphorus peak 9 6 Recrystallisation 9 7 Strees 9 8 Basic TQ coupling 9 9 Temperature 10 FULLY ANSWERED QUESTIONS 10 1 Reading MICRESS results 10 2 Decrypting the nucleation message 10 3 Reading in initial microstructures 11 APPENDIX 11 1 Glossary 11 2 Reference list 11 3 MICRESS license 11 4 Driving file MICRESS user s manual 5 98 Introduction 1 Introduction 1 1 Scope of the software MICRESS The present software MICRESS MiCRostructure Evolution Simulation Software is developed for a time and space resolved simulation of solid liquid and solid solid phase transformations in metallic alloys by
25. instructions from standard gt Min value Max value explicitly specify input to allow piping from GUI device the min and max to use t Transfer MICRESS converts file gt m multiple results specify the number of Animate animate to the end result files integer value following m Help print a list of all available command ex m6 line options Default settings automatic min max from the whole file no graphical user interface when called number of panels fits the nb of solutions from the command line Multiple display this feature is restricted to results files with the same geometry Compressed files the whole files are decompressed to temporary files which are erased when the program is exited it is therefore preferable to close Display MICRESS nicely i e no interruption to avoid leaving those files in the working directory Non native files Display MICRESS can handle non native binary results but the necessary on the fly conversion nevertheless takes time converting the files is often a reasonable option It is also impossible to display files with different endian ness Transfer MICRESS This tool converts results file to and from the following formats binary both single and double precision and ASCII compressed or not The ASCII format is useful to transfer results between platforms Transfer MICRESS can also rename MICRESS result files using Irix or Windows nam
26. of each Simulation of recrystallisation in phase 1 phase can be sorted in a user defined number of Options recrystall no_recrystall no_recrystall categories this can speed simulations as Is phase 1 anisotrop Options isotropic anisotropic faceted some operations in MICRESS are quadratic with isotropic E i Should grains of phase 1 be reduced to categories respect to the number of grains or categories Optionen categorize no_categorize no_categorize Finally the user can set how the orientation of i Orientation the grains will be defined as a 2D or 3D Euler How shall grain orientations be defined Options angle_2d or Miller indices euler_zxz angle_axis miller_indices angle rotation angles with respect to the axes angle_2d 5 10 Grain input data Information concerning the microstructure at the beginning of the simulation has to be entered The first parameter to specify is the type of positioning for the grain present at the beginning which can either be A we ede f Grain input deterministic random or even read from a text file i Type of grain positioning Options deterministic random from_file present at the beginning is asked The next inputs deterministic from_file Then the number of grains which are to be strongly depend on the type of positioning chosen 5 10 1 Coordinates The reference point is the bottom left hand corner all p
27. possible to terminate the nuclei that have not grown enough between two consecutive call to the nucleation routine hence the importance of this parameter in this case by enabling kill_metastable this flag can also be set to no_kill_metastable 5 12 Phase interaction data Physical data for the interaction of each phates wilh die ater ars entered afterwards Each of this can Phase interaction data be disabled by setting the parameter to no_ Simulation of interaction between phase 0 and 1 Solid state inter action between Options phase_interaction no_phase_interaction standard particle_pinning solute_drag grains of the same phase can be no_phase_interaction Data for phase interaction 1 1 simulated when the interaction of ne ph with itself is enabled one prase SEAIS e e Simulation of interaction between phase 1 and 1 Options phase_interaction no_phase_interaction ae standard particle_pinning solute_drag The surface energy and kinetic phase_interaction coefficient are to be set The Type of surface energy definition between phases 1 and 1 Options constant temp_dependent mobility and surface energy can be constant Surface energy between phases 1 and 1 J cm 2 input as constant values or treated 1 00000E 05 Type of mobility definition between phases 1 and 1 as temperature dependant Options constant temp dependent sd_kth dg dependent constant
28. to be Minimal value of x coordinates micrometers h 0 0000000E 00 categorised the number of categories into Maximal value of x coordinates micrometers i 8 000000 which the grains have to be sorted can be Minimal value of z coordinates micrometers 4 000000 Maximal value of z coordinates micrometers 8 000000 Minimum grain radius micrometers 1 000000 Maximum grain radius micrometers 1 000000 Shall grain type 1 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion for grains of type 1 will be applied Options voronoi no_voronoi voronoi Phase number for grain type 1 int 1 Minimum of recrystallisation energie J cm 3 0 0000000E 00 Maximum of recrystallisation energie J cm 3 0 0000000E 00 Determination of grain orientations options random fix range range Minimal value of rotation angle Degree 0 0000000E 00 Maximal value of rotation angle Degree 10 00000 Minimal distance between grains real microns 0 5000000 specified MICRESS user s manual 25 98 Driving files 5 10 4 Read initial microstructure from a file The starting grain structure can also be read from an ASCII file which will be interpreted as a map of domain displaying the grains number Grain input similarly to the korn output or marking the
29. with a moving calculation domain see the section related to Boundary conditions they hold the information for the accumulated domain including the areas which are moved out from the actual calculation frame The 1D_Ext files store the composition in the 1D extension of the concentration field please see Dimension parameters The 1D_Temp output are related to the one dimensional external temperature field see also Dimension parameters The next output specify how should file which would possibly have the same name be dealt with MICRESS can try to overwrite them without any warning if the operating system allows the user to do it or an error can be issued In combination with restart it is also possible to append to files with the same name It is also possible to specify whether the default naming scheme i e Linux or Windows should be overridden for examples for users running simulations under Linux but post processing the results under Windows Similarly for completeness it is also possible not to compress the binary outputs MICRESS user s manual 18 98 Driving files 5 7 Outputs In this section the user can select the outputs which are going to be written out Here is a comprehensive overview of all files that can be written out by MICRESS unless otherwise specified these binary files to be viewed with DP_MICRESS Similarly unless otherwise specified these files are updated at the user re
30. 0 end_of_simulation Time step Options real automatic 0 lt factor_1 lt 1 0 lt factor_2 max min Fix time steps just input the value automatic Coefficient for phase field criterion 1 00 Coefficient for segregation criterion 1 00 Number of iterations for initialisation 25 Phase data Number of distinct solid phases Data for phase 1 Simulation of recrystallisation in phase 1 Options recrystall no_recrystall no_recrystall Is phase 1 anisotrop Sp Se SR OS Se ON Se SR OS OS OE Options isotropic anisotropic faceted isotropic Should grains of phase 1 be reduced to categories Options categorize no_categorize no_categorize Data for phase 2 25 ao Sa Simulation of recrystallisation in phase 2 Options recrystall no_recrystall no_recrystall Is phase 2 anisotrop Options isotropic anisotropic faceted isotropic Should grains of phase 2 be reduced to categories Options categorize no_categorize no_categorize MICRESS user s manual 89 98 Appendix Grain input Type of grain positioning Options deterministic random from file deterministic Number of grains at the beginning 9 Input data for grain number 1 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 1 51 240002 20 969999 Grain radius micrometers 23 360001 Shall grain 1 be st
31. 98 Post processing 7 2 18 Exit To exit Display MICRESS press the right mouse button or X 7 2 19 Final remarks As previously mentioned the graphical features of Display MICRESS are performed by the PGPlot library www astro caltech edu tjp pgplot The image output in PNG format Portable Network Graphics is made possible by the PNG library www libpng orgl and Z library www zlib net The Z library also handles compression and decompression of files by calling its minimal implementation MiniGZip The screen driver under Windows is from GrWin http spdg1 sci shizuoka ac jp grwinlib english Please visit their home pages The first implementation of Display MICRESS was strongly inspired by the PGPlot demo 4 Display MICRESS is not a commercial product it is provided as is on a courtesy basis Though Display MICRESS is convenient and pleasant to use it was unfortunately not actually meant to be a toy therefore some apparent limitations result from a use that was simply not considered to be of interest to the post processing of MICRESS results or even not intended altogether 7 2 20 Summary of the shortcuts Group Shortcut Description Time step N Display the next output P Go back to the previous output L Go to the last output F Go to the first output M N Display the next output dissociated M P Go back to the previous output dissoc
32. E SOFTWARE FOR ANY PURPOSE IT IS PROVIDED AS IS WITHOUT EXPRESS OR IMPLIED WARRANTY THE CALIFORNIA INSTITUTE OF TECHNOLOGY SHALL NOT BE LIABLE FOR ANY DAMAGES SUFFERED BY THE USER OF THIS SOFTWARE KF HF KF KH HF KK KH KK KF KF KH KF KH KH KK KH KK x The software may have been developed under agreements between the x California Institute of Technology and the Federal Government which 7 entitle the Government to certain rights x KKK K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K MICRESS user s manual 57 98 Post processing 7 3 3 Copyright notice of libPNG Display_MICRESS COPYRIGHT NOTICE DISCLAIMER and LICENSE If you modify libpng you may insert additional notices immediately following this sentence libpng versions 1 0 7 July 1 2000 through 1 0 12 June 8 2001 are Copyright c 2000 2001 Glenn Randers Pehrson and are distributed according to the same disclaimer and license as libpng 1 0 6 with the following individuals added to the list of Contributing Authors Simon Pierre Cadieux Eric S Raymond Gilles Vollant and with the following additions to the disclaimer There is no warranty against interference with your enjoyment of the library or against infringement There is no warranty that our efforts or the library will fulfill any of your particular
33. IMITATION OF LIABILITY TO THE EXTENT NOT PROHIBITED BY LAW IN NO EVENT WILL ACCESS BE LIABLE FOR ANY LOST REVENUE PROFIT OR DATA OR FOR SPECIAL INDIRECT CONSEQUENTIAL INCIDENTAL OR PUNITIVE DAMAGES HOWEVER CAUSED REGARDLESS OF THE THEORY OF LIABILITY ARISING OUT OF OR RELATED TO THE USE OF OR INABILITY TO USE SOFTWARE EVEN IF ACCESS HAS BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGES ACCESS ASSUMES NO RESPONSIBILTY FOR THE VALIDITY OF RESULTS FROM CALCULATIONS PERFORMED USING THE MICRESS SOFTWARE OR RELATED PRODUCTS IN NO EVENT WILL ACCESS s LIABILITY TO YOU WHETHER IN CONTRACT TORT including negligence OR OTHERWISE EXCEED THE AMOUNT PAID BY YOU FOR THE SOFTWARE UNDER THIS AGREEMENT THE FOREGOING LIMITATIONS WILL APPLY EVEN IF THE ABOVE STATED WARRANTY FAILS OF ITS ESSENTIAL PURPOSE The Licensee acknowledges that use of MICRESS can only provide an imprecise estimation of possible future performance and that additional testing and analysis independent of ACCESS s products must be conducted before any product can be finally developed or commercially introduced As a result the licensee agrees not to rely upon the results of any use of MICRESS in determining the final design composition or structure of any product 11 3 6 Termination This Agreement is effective until terminated You may terminate this Agreement at any time by destroying all copies of Software This Agreement will terminate immediately without notice from ACCESS i
34. K s 25 gradient in which case the number of transition points should be set to 0 integer If the release of latent heat is enabled a heat flux in Js cm has to be specified instead of a temperature or cooling rate Then the moving frame options have to be set this feature is very useful for simulations related to directional solidification as it allows the actual solving to be done on only part of the simulation domain therefore reducing CPU time If the flag moving_frame is not set to no_moving_frame the user is prompted Driving File for the criteria causing points to be shifted out of the simulation domain this can be temperature or distance In the case of temperature it is linked to a temperature below which the points have to be shifted the distance it out of simulation domain For is the minimal distance between the solid phases and the top of the simulation domain In both cases the corresponding value has to be input afterwards Saving the data related to these points out_moving_frame flag creating or not Gesamt global data for all selected outputs these files have G appended to their root name i e Simulation phas and SimulationG phas under Unix The assumptions made to simulate the release of latent heat are deemed to be incompatible with the use of the moving frame feature it is therefore disabled in this case
35. R Q and curve output R R are available 7 2 15 Data information The distance between two selected points can be displayed with W M measure distance Similarly the coordinates of a given point along with the corresponding field values can be printed with W C coordinates Arbitrary angles can be measured with W A angles with respectively with the horizontal or the vertical can be measured with W H and W V The average minimum and maximum from the current display are also available with W E extrema To compare diff two results press W D the user is then prompted for a threshold value significant difference allowing some numerical noise to be ignored The same can also be applied sequentially to all outputs with W F A MICRESS cell pointer can be pin pointed with W P Information about the time when the last output was written and the MICRESS and Display _MICRESS versions can be printed out with W I Information about the geometry can be printed out with W G 7 2 16 Remove output The current output can be removed from the displayed files with key K Please note that there is no undo for this feature the output is permanently removed from the file s Please note that a graphical interface to this feature is also available from the main interface under Transfer MICRESS Remove Outputs 7 2 17 Help Key H displays the summary of available options MICRESS user s manual 50
36. Subroutine Library Version 5 2 2 ok 2 2 of of of of E 2 2s oft of of ais E oie of of of oft oft of of of of of oft oft of of ok os of oft oft oft of K oie oie of of oft oft of oie of of of of of oft of of K of of oft of of K K k of K K K K K K ok ok ok ok ok ok K K KEEK K K fe K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K Copyright c 1983 2001 by the California Institute of Technology All rights reserved For further information contact Dr T J Pearson 105 24 California Institute of Technology Pasadena California 91125 USA tjp astro caltech edu The PGPLOT library both binary and source and the PGPLOT manual PGPLOT Graphics Subroutine Library are copyrighted but available without fee for education academic research and non commercial purposes Ownership of the software remains with the California Institute of Technology Users may distribute the binary and source code to third parties provided that the copyright notice and this statement appears on all copies and that no charge is made for such copies Any entity wishing to integrate all or part of the source code into a product for commercial use or resale should contact the author at the above address KK HK KK KF KF HF KF KF THE CALIFORNIA INSTITUTE OF TECHNOLOGY MAKES NO REPRESENTATIONS ABOUT THE SUITABILITY OF TH
37. Type of grain positioning interfaces similar to the phase output when Options deterministic random from file from file only one phase is present File for grain properties Microstructure txt Read grain properties from a file The user has to supply the name of the file the o input eM eal dimensions of the map being read which VP ieee of grains at the beginning doesn t have to be the same as the Treatment of data none 1D flip bottom lt gt top or transpose simulation s the number of grains actually read transpose AnzX for initial microstructure in the type transformation to be applied to the 500 AnzZ for initial microstructure data set transposed and or flipped phase to 400 La i Phase number integer grain or none and the number of points it 1 contains which can be different from the simulation domain All geometric information concerning the grains is obviously already supplied so the user only has to specify the other relevant grain properties phase stored energy orientation etc Please see the corresponding section in the Fully Answered Questions paragraph 10 3 and the grain growth standard examples can also be looked up as a reference MICRESS user s manual 26 98 Driving files 5 11 Nucleation parameters Afterwards nucleation parameters can be defined the first of them being a flag for nucleation which can be set to no_n
38. a description can be entered such as File Gamma_Alpha_phas mcr MICRESS result file click on Browse to i To open this file Windows needs to know what program created it Windows select the DP M ICRESS binary accept it with can go online to look it up automatically or you can manually select From a list of OK twice programs on your computer The file association has now been created and simply double clicking a MICRESS result file hak do yout want be dor will start DP_MICRESS Please note that Use the Web service to find the appropriate program DP_MICRESS will be called the default settings Select the program from a list a single result binary file not compressed etc if you wish to use other settings double K Tcl click a geoF file which will call instead the front end for calling Display_MICRESS Open With Open With Choose the program you want to use to open this file Choose the program you want to use to open this file Soy See tases File Gamma_Alpha_phas mcer Programs Programs a a ee E Internet Explorer Br rata Front end to MICRESS s postprocessing toolbox I BR Picrosoft ce Internet Explorer Microsoft Word B Microsoft Excel E Notepad Microsoft Word W Paint e Notepad Windows Media Player y Paint E Windows Picture and Fax Viewer windows Media Player A WordPad E Windows Picture and Fax Viewer DA WordPad Type a desc
39. abilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Input data for grain number 2 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 2 52 099998 47 365002 Grain radius micrometers 25 860001 Shall grain 2 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Input data for grain number 3 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 3 37 130001 23 030001 Grain radius micrometers 23 809999 Shall grain 3 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 MICRESS user s manual 90 98 Appendix Input data for grain number 4 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 4 3 2449999 21 129999 Grain radius micrometers 23 870001 Shall grain 4 be stabilized or shall an analytical curvatu
40. age settings In the section the language settings have to be defined the first being language MICRESS supports English French and German 5 4 Dimension parameters the chosen Driving File Language settings Please select a language Deutsch English or Francais English First parameters related to the dimensionality are set the domain in number of cells in each direction and the grid spacing in um For 2D calculations AnzY 1 for 1D calculations AnzX 1 AnzY 1 Then various flags have to be selected first the type of coupling which can be one of the following phase i e no coupling pure phase field concentration temperature temp_cyl_coord is a_ special option which calculates a 2D temperature field in a cylindrical coordinate system In addition stress and stress_coupled can be specified in the same line activating the calculation of the elastic stress field and the coupling to the phase field equation respectively So far it only works with concentration coupling The phase field potential function also has to be chosen double_obstacle or double_well The averaging of the driving force along the normal to the interface can be off with averaging and no_averaging toggled on and Similarly in the case of concentration coupling one dimensional far field approximation for solute MICRESS user s manual
41. and manganese The first two are mostly intended as a comparison of the use of MICRESS with and without coupling to Thermo Calc Both are concentration coupled The third one shows how the coupling to stress field can be added this example is also 3D 9 4 Grain growth These four examples Grain_Growth_drr Grain_Growth_Particle_Pinning_dri Grain_Growth_Solute_Drag_dr and Grain_Growth_Solute_Drag_KTH_dr show how MICRESS can be used without coupling to external fields i e only phase field These examples show the use of a read in initial microstructure see paragraph 10 3 The first one displays pure grain growth whereas the other ones show respectively examples of the particle pinning 6 solute drag 7 and KTH solute drag 14 models The mobility data for the Grain_Growth_Solute_Drag_KTH_dr was kindly provided by H Strandlund from material for 14 The micrograph used to create the initial microstructure is courtesy of IEHK RWTH Aachen MICRESS user s manual 66 98 Standard examples The pure grain growth example can readily be used to validate the settings by checking that the growth rate exponent is close to the theoretical value as well as that the von Neumann Mullins relation is fulfilled Growth rate exponent the evolution of the average grain radius over time The data was fitted with a least squares method using R t R t k x t t
42. arallel_expansior An attempt can also be made to try to keep some kind of symmetry with respect to the x y diagonal unit_cell_symm and no_unit_cell_symm are the available options MICRESS user s manual 39 98 Driving files Then the maximum number of concentration solving per phase field iteration has to be entered in the case of concentration coupling This input is not required with automatic time stepping There is no strong influence on the results or performance If the value is too small a warning is issued min Should be specified here it is a Driving File Other numerical parameters Maximum number of calls of the concentration solver per iteration 500 Phase minimum 9 999999747E 5 Interface thickness in cells 7 5 deviation limit for the phase field parameter below which the cell is not considered to be in the interface any more but in a bulk region be it liquid or solid The interface thickness in cells also has to be input here In case of stress coupling the convergence criteria for the iterative BiCGstab matrix solver as well as an upper limit maximum number of iterations has to be defined In the input line for the maximum number of iterations a second integer input is possible The number is set to 20 by default and specifies the maximum number of iterations allowed for achieving a good solution for the quasi static equilibrium In most cases d
43. ard with its installer please do not hesitate to contact us if you experience any difficulty For installation under Windows it is highly advisable to have power user privileges i e have the right to modify the registry as file associations can then be performed by the installer itself this nevertheless by no mean a requirement Please see section 12 for further information on this topic 3 5 MICRESS license Special care has been given to keeping the license side of MICRESS as inconspicuous as possible it is based on the FLEXIm system Please contact your MICRESS agent if you have any doubt 3 6 Thermo Calc license To use MICRESS coupled to Thermo Calc via its TQ interface requires a valid license from Thermo Calc Software AB www thermocalc se Before trying to use MICRESS make sure your license file can be found by the license manager MICRESS user s manual 12 98 Running MICRESS 4 Running MICRESS MICRESS asks for input data from the terminal by a read statement More conveniently the input can be read from a text file so called driving file via a shell or directly read by the executable Some such driving files are included in your installation directory they are marked by _dri or _dri txt under Windows These files contain all the necessary input for MICRESS 4 1 Preparing the input data pre processing All necessary input data must be defined in the driving f
44. ay which can toggled on and off with I D Automatic isolines I 1 9 automatically adds the corresponding number of isolines equally spaced on the scale Similarly a user defined number of automatic isolines can be added with I N User defined isolines can be added with I A A single isoline can be removed with I R and all of them with I S By default isolines are displayed with the image in the background but this can be toggled on and off with C With the feature only the contours are displayed i e only the isolines The values of the solines currently displayed can be printed in the shell with V To ensure that they can easily seen against any background the isolines are by default black and white this can be changed with B bi coloured isolines An ASCII file listing the coordinates of contour points for current time step can be created with I W and for all outputs with I X Note if several result files are displayed the user will be prompted to select the files to which these operations should be applied to Similarly to what is implemented for the scale user defined settings will affect all solutions which are selected simultaneously 7 2 11 3D Display MICRESS can display 2D cuts perpendicular to the main axis of 3D simulations The cutting plane type i e perpendicular to X axis Y axis or Z axis can be set respectively with 3 X 3 Y or 3 Z It is also possible to change the
45. between phase 0 and 1 Options phase_interaction no_phase_interaction standard particle_pinning solute_drag no_phase_interaction SOR SR OR Data for phase interaction 0 2 J esne ee ae Se SSS ee eee ee ee Simulation of interaction between phase 0 and 2 Options phase_interaction no_phase_interaction standard particle_pinning solute_drag no_phase_interaction MICRESS user s manual 94 98 Appendix Data for phase interaction 1 1 SSS SSS SSS 55 55555555 55555255555 Simulation of interaction between phase 1 and 1 Options phase_interaction no_phase_interaction standard particle_pinning solute_drag phase_interaction Type of surface energy definition between phases 1 and 1 Options constant temp_dependent constant Surface energy between phases 1 and 1 J cm 2 1 00000E 05 Type of mobility definition between phases 1 and 1 Options constant temp_dependent sd_kth dg_dependent constant Kinetic coefficient mu between phases 1 and 1 cm 4 Js 1 00000E 05 Data for phase interaction 1 2 cee eee see e secs ob eee eee esses Simulation of interaction between phase 1 and 2 Options phase_interaction no_phase_interaction standard particle_pinning solute_drag phase_interaction DeltaG options default avg max J cm 3 smooth degrees avg 1 max 50 I e avg 1 00 smooth 45 0 max 5 00000E 01 Type of surfac
46. by specifying lat_heat to or no_lat_heaf Then phase including the liquid as ae O 3 well as its specific thermal HE MD FE O ray capacity has to be specified 31 3 aE N As the time to reach thermal an bhHMYONASFHNA SPW FY w 3a equilibrium is considered HE N negligible compared to the characteristic times for diffusion py of phase 0 J cm 3 pecifi nthal pecifi nthal pecific heat capacity Parameters for latent heat Simulate release of latent heat Options the enthalpy of each lat_heat Enthal lat_heat lat_heat_3d matrix phase no_lat_heat heat capacity C phase 0 of phase 1 heat capacity of phase 2 phase 2 the release of latent heat is treated as a global warming the temperature of the whole simulation domain being raised uniformly If the release of latent heat is enabled the specification of the variation of temperature is made via the input of a heat flux and the Moving frame feature is automatically disabled see hereafter 5 19 Boundary conditions Some other conditions have to be set The first of related to temperature the initial temperature the those are type of variation which should be left to linear the number of transition points as the temperature conditions can be set by intervals Then for each of these transition points i
47. coupling the TQ interface is subject to all terms and conditions of this agreement as well The visualisation tool Display MICRESS being distributed free of charge is based on the use of following public domain libraries and software a d a PGPLOT Fortran Graphics Subroutine Library Version 5 2 2 Graphical library upon which DP_MICRESS is layered www astro caltech edu tjp pgplot PGPLOT is not public domain software However it is freely available for non commercial use The source code and documentation are copyrighted by California Institute of Technology and may not be redistributed or placed on public Web servers without permission The software is provided as is with no warranty MICRESS user s manual 83 98 Appendix KKE K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K KK K K K K K K 2k K K K K A PGPLOT Fortran Graphics Subroutine Library Version 5 2 2 a ok 2 2 2 of of of of 2s E oft of of ois oe oie of of of of oft oie K of of of of of oft of of 2 of of oft oft E E oie oie of fe oft of K K of of of of of of of 2 E of of of of of K K k of of of of K kK K ok ok ok ok ok ok ok KKE K K K fe K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K K K K K K K K K K KK K K K K K K K K K K K Copyright c 1983 2001 by the California Institute of Technology All rights reserved For further informat
48. critical velocity setting the limit for solute drag and a transition range within which the mobility changes linearly between the mobility values with and without solute drag Particle pinning is modelled as a dependence of the mobility on the driving force calculated from the local curvature Two parameters are needed the minimal mobility and the critical curvature Afi t h t ae i ee ene eee be specified for interactions between different phases first the Phase interaction data delta G options which control respectively the averaging along the normal to the interface cutting Simulation of interaction between phase 0 and 1 o Options phase_interaction no_phase_interaction off the driving force and the standard particle_pinning solute_drag i iy i hase_interaction smoothing They are to be input PG options default avg max J cm 3 smooth degrees avg 1 max 20 not specified will be set to default l e avg 1 00 smooth 45 0 max 2 00000E 01 Type of surface energy definition between phases LIQUID and 1 in one line with keywords what is if everything should be set to Options constant temp_dependent constant default use default as a place Surface energy between phases LIQUID and 1 J cm 2 2 04000E 05 holder For information the Type of mobility definition between phases LIQUID and 1 effective values are mirrored right Options constant temp_dependent sd_k
49. diffusion of component 1 in phase 0 be solved be self explanatory Setting database no_diff A es How shall diffusion of component 1 in phase 1 be solved means that the diffusion coefficients will be diff Diff coefficient Prefactor real cm 2 s interface this is only possible when the 9 23400_ Activation energy real J mol GES file used also contains mobility data 1 47700E 05 mult means that the complete Fick database_blobal database_local and calculated by Thermo Calc via its TQ Onsager equations will be solved including the so called off diagonal terms of the diffusion matrix It is possible to qualify mult and use global or local diffusion coefficients from a database local means that they are linearly interpolated inside a phase to reflect the influence of composition user defined or simply ignored If diff has been selected the pre exponential factor and its activation energy which can be set to 0 for no temperature MICRESS user s manual 31 98 Driving files dependence of the diffusion coefficient have to be specified In the case of a stoichiometric phase a diffusion coefficient can nevertheless be input for numerical reason it can be set 0 if not needed It is also possible to request enhanced diffusion at the grain boundaries with b followed by a string consisting of b and n to respectively en or disable t
50. e PC version of Display MICRESS so instead of Transparent PNG and Opaque PNG the two options available in windows environment are Portrait GIF and Landscape GIF MICRESS user s manual 41 98 Post processing 7 Post processing MICRESS generates output files for the solutions of different field variables in a binary format The solutions for the individual time steps are concatenate in one file For evaluation and visualisation of the output files different post processing tools are available A brief description is given in this chapter 7 1 Available post processing tools Display MICRESS Visualisation tool for MICRESS result files Transfer MICRESS Filter for MICRESS result files DP MICRESS Bundle of the two previous executables Note to increase confusion and generally confound the reader as much as possible the DP MICRESS binaries are nevertheless called Display MICRESS and the graphical interface to Display MICRESS is called DP_MICRESS 7 2 Display MICRESS Display_MICRESS DP_MICRESS is a post processing tool with a wide span of possibilities ranging from basic display and image output to advanced features such as zooming multiple display build in four folded symmetry animation and Virtual EDX It can also handle several files simultaneously It can read results file in binary single and double precision native or not and ASCII compressed or not as well as perform conversions between t
51. e energy definition between phases 1 and 2 Options constant temp_ dependent constant Surface energy between phases 1 and 2 J cm 2 5 00000E 05 Type of mobility definition between phases 1 and 2 Options constant temp_dependent sd_kth dg_dependent constant Kinetic coefficient mu between phases 1 and 2 cm 4 Js 1 00000E 06 Data for phase interaction 2 2 GE att So a lA Simulation of interaction between phase 2 and 2 Options phase_interaction no_phase_interaction standard particle_pinning solute_drag phase_interaction Type of surface energy definition between phases 2 and 2 Options constant temp_dependent constant Surface energy between phases 2 and 2 J cm 2 2 00000E 05 Type of mobility definition between phases 2 and 2 Options constant temp_dependent sd_kth dg_dependent constant Kinetic coefficient mu between phases 2 and 2 cm 4 Js 1 00000E 05 Concentration data Number of dissolved constituents int 2 Type of concentration Options atom_percent at weight_percent wt weight_percent MICRESS user s manual 95 98 Appendix Options diff no_diff infinite multi database_global database_local b for grain boundary diffusion multi can be followed by a string of n d g or to describe each contribution respectively no diffusion user defined diffusion coefficient and global
52. e of the domain will be created the 1D_Ext files previously mentioned Afterwards the user is prompted for data structure Driving File parameters the initial dimension of field Face used to store data related to the interface points as a Phase field data structure fraction of AnzxX x AnzY x AnzZ and of the field Coefficient for initial dimension of field iFace F ideas minimum usage target usage nTupel for higher order junctions input in a similar 0 25 0 75 0 50 Coefficient for initial dimension of field nTupel minimum usage target usage corresponding arrays are fully dynamic so the ae 0 75 0 50 way These are initial dimensions and the influence of these parameters is now quite limited but they can nevertheless be fine tuned if need be via two additional parameters the minimal and target usage With the 0 25 0 75 0 50 setting the lists will start with dimension of one fourth of AnzX x AnzY x AnzZ and should they be re allocated because they are too short or too long see afterwards they would afterwards be 75 full also should less than 50 of them be used they would also be resized also so that they are three quarter full 5 5 Restart previous simulation or begin a new one Even if a Restart options The user has to specify if he wishes to restart a simulation is restarted all input parameters have to be specified so as to leave open the opportu
53. eached if the conditions do not Beginning of initialization allow it Their radius can be set it should be chosen carefully as the nuclei might be off Critical grain radius of Phase 2 in Phase 1 2 50000 dT_unt micrometers equilibrium in the phase field description this e value should not be so low to let them redissolve An indicative value based on the of critical nucleation radius for homogeneous nucleation is given on screen at the beginning of the simulation when Thermo Calc coupling is not activated A workaround is to set the growth mode of the seeds to stabilisation which will free then from the curvature term of the phase field equation until they reach a sufficient size Then the value of the constitutional undercooling triggering nucleation in Kelvin counted as positive or the minimum stored energy in J cm if recrystallisation is taken into account for any phase has to be specified The shield effec data are to be set they include the shield time latency time after new nuclei are sets during which nucleation is temporarily disabled around them and shield distance radius of the zone centred on the nuclei in which nucleation is disabled in um These parameters can have a quite a dramatic influence on the resulting microstructure If applicable the way of setting the seeds orientation has to be specified it can either be random fix range or parent_relatio
54. eas P3 also requires some further processing P2 Magic number for identifying the file type CREATOR The GIMP s PNM Filter Version 1 0 Comment 500 400 Image width and height 255 Maximum grey value Maxval 255 Value for the first pixel snot the header anymore Please remember that MICRESS will need the number of pixels in each direction 10 3 3 Boundary conditions The readers who can still think creatively might have been wondering about the boundaries conditions no need to worry MICRESS will get it right First of all grains touching the boundaries will be closed so that they do not get merged with others The user is also not restricted in any way in the choice of boundary conditions even wrap around though initially leading to somewhat unexpected grain structures subsequently allow proper relaxation See hereafter a four folded symmetry view of the Grain_Growth standard example Later still MICRESS user s manual 77 198 Appendix 11 Appendix 11 1 Glossary Display_MICRESS GrWin GUI PGPlot Perl PNG Transfer_MICRESS Zlib MICRESS user s manual Post processing tool performing a wide range of actions Graphical library which is used as a driver for the Windows version of Display MICRESS http spdg1 sci shizuoka ac jp grwinlib english Graphical User Interface supports mouse actions Graphical library upon which DP_MICRESS is la
55. ed on to Display_MICRESS each time it is called DP_MICRESS_Settings txt HEEEEEEEEEEEEEEEEEEEEEEEEEEAEEHEEEAAREE Settings HHHHHHEHEHHEHEHHEEEHEHHEEEEAHEAHEHERHREAHAE Default_GUI Docking Display_ Manual 0 Acrobat P Acrobat Reader AcroRd32 exe Display_Link 0 Browser P Mozilla Firefox Firefox exe Display_Snapshot_Tool 0 Snapshot_Tool Snapshot exe Standard_Only Additional_ Flags 8 2 Installing MICRESS under UNIX This section was mostly added for symmetry s sake as installing MICRESS and DP_MICRESS under Unix and Linux is straightforward The user should make sure that Thermo Calc s TQ interface library can be picked up If you do not intent to use TQ coupled binaries this step can obviously be skipped To check that the easiest is to use the Idd command which should return something similar to the following If not the LD_LIBRARY_PATH environment variable Command line Idd MICRESS linux gate so 1 gt Oxffffe000 libpthread so 0 gt lib tls libpthread so 0 0x4002d000 libtq so gt usr local lib libtq so 0Ox4003e000 libc so 6 gt lib tls libc so 6 Ox450f4000 libm so 6 gt lib tls libm so 6 0x45209000 ib Id linux so 2 gt lib Id linux so 2 0x40000000 can be extended to include a directory where your libtq so is or it can be copied or a link to it can be placed in a directory already searched for this
56. een phase indices Micress gt TC up the calculation by limiting the number of The matrix phase has in MICRESS the index 0 calls to the TQ library at the expense of Thermo Calc index of the MICRESS phase 0 1 precision An input of 1 can be used to Thermo Calc index of the MICRESS phase 1 2 switch off the relinearisation triggered by Molar volume of MICRESS phase 0 cm 3 mol ore 10 temperature deviation Molar volume of MICRESS phase 1 cm 3 mol 10 f Temperature at which the initial equilibrium The Thermo Calc index of each will be calculated K 914 MICRESS component and phase is then to be set MICRESS displays at run time the list of components and phases available in the selected GES file Afterwards the user is prompted for molar volume of each phase The final input of this section is the temperature for the initialisation by Thermo Calc of the interactions of phases present at the beginning of the simulation DS eer ee renee workspace by adding an optional line starting A Is a thermodynamic database to be used with the keyword wokspace_size followed by Options database no_database database the requested size in kilo bytes after the Name of Thermo Calc GES5 file without extension GES_Files Fe_C_Mn_Si_P TQ s workspace size in kilo bytes workspace_size 100000 specification of the GES file The following input remainin
57. efault settings are sufficient MICRESS user s manual 40 98 Known issues 6 Known issues 6 1 Problems with some Linux distributions It is currently not possible to run MICRESS with some Linux distributions this is mostly due to problem with the licensing package used in MICRESS FLEXLM here is a comment made on Macrovision s website Our experience with Linux leads us to believe that it is not the most infallible operating system that we support This is likely due to the fact that the operating system can be easily customized presenting advantages and disadvantages We have found that each new release of Linux isn t necessarily backwards compatible although each new release does include important enhancements 6 2 Restarting simulations The restart feature was found not to be entirely accurate in some cases last digit variations especially with the coupling to Thermo Calc via its TQ interface 6 3 T and stability criteria The check for the compliance of the mobility surface energy and the constant time step with the stability criteria has been disabled in the case of a temperature or driving force dependant mobility Please use automatic time stepping in this case 6 4 Nucleation of liquid It is currently not possible to simulate the nucleation of liquid with MICRESS 6 5 Image drivers for Display MICRESS Unfortunately no PNG image driver could be implemented for th
58. efore reading them Display_MICRESS can do it for example or disabling compression 10 1 1 Anatomy of MICRESS results files The results files are binary sequential files written by a fortran program if read by a program written in another language the record length should correspondingly be dealt with it is a 4 bytes integer storing the length of the record in bytes They are written in native format i e little endian on platforms using Intel compatible processors and big endian otherwise The geoF file store information about the geometry they consist mostly of one fortran record storing the number of points in the X Y and Z directions followed by the grid spacing in centimetres in these three directions which happen to be identical The numbers of points are 4 bytes integers and the grid spacing 4 bytes reals The result files store the field value for a given output time a record for each First the time 4 bytes real then the number of points in the simulation domain a 4 bytes integer which is the product of the number of points in the X Y and Z directions followed by the field values for each cell that is number of points 4 bytes reals They are ordered in the following way first all the values for X Y 1 and Z 1 then the same for Y 2 if applicable and so on afterwards for Z 2 and so on MICRESS user s manual 72 98 Fully Answered Questions 10 1 2
59. em Settings Utilities Start Stop Reread Server Status Server Diags Config Services Borrowing FLEXnet license services installed on this computer Stop Server ReRead License File Force Server Shutdown aer NOTE This box must be checked to shut down a license server when licenses are borrowed Server Start Successful MICRESS user s manual 65 98 Standard examples 9 Standard examples Some examples are provided with MICRESS unfortunately they cannot cover the whole scope of the software but should nevertheless cover some typical cases and can be used as starting points for other purposes 9 1 Aluminium copper The A Cu_dri and AlCu_Equiaxed_dr examples are concentration coupled with Thermo Calc coupling of a binary aluminium copper alloy They are both dendritic the first one corresponding to a directional solidification and the second to an equiaxed one The second one also provides an example of the use of the seed density nucleation model 9 2 Delta gamma Delta_Gamma_dr is a simulation of a ternary steel model alloy iron carbon and manganese simulating a dendritic 6 y transformation It is also coupled to Thermo Calc Both are concentration coupled 9 3 Gammaz alpha A series of examples Gamma_Alpha_dr Gamma_Alpha_TQ_dri and Gamma_Alpha_Sitress_dr simulating the y a transformation for a ternary steel model alloy iron carbon
60. er alloy The first one is isothermal and shows the effect of curvature The second is similar and adds heat extraction and simulation of release of latent heat with growth of a primary and secondary phase as well as solid solid interaction after complete solidification 9 9 Temperature Temperature_dri illustrate the use of coupling to temperature field growth of sphere in an undercooled liquid MICRESS user s manual 71 98 Fully Answered Questions 10 Fully Answered Questions 10 1 Reading MICRESS results More than a full description of the output format which is bound to be incomplete here is a brief description of the files contents as well as code snippets implementing reading of geometry file and one output of a result file These examples are limited to Fortran and Perl which happen to be the only languages we currently actively use to manipulate MICRESS files A C implementation would certainly also be handy but should be straightforward to adapt from the Perl one These examples are barebones without any checks or error handling whatsoever They also apply to reading uncompressed files which is not the default it is left to the user to deal with this by reading compressed results all the same trivial in Perl with the use of the Compress Zlib module freely available form the CPAN repository for example calling the ZLib library to do the conversion uncompressing the results b
61. etric the domain boundary being treated as a local symmetry plane gradient or fixed a fixed value is set for the corresponding field at the corresponding interface in the case of phase field temperature and concentration Additional boundary conditions are required in case of stress coupling the available options are constant_volume a Dane Boundary condition for elastic stress calculation zero displacement of all boundaries Options constant_volume normal_expansion free_expansion i Sok fix_isostatic_pressure fix_normal_pressure free_expansion bottom left corner fix_isostatic_strain fix_normal_strain fix_isostatic_strain fixed free expansion in all directions Isostatic Strain real and parallel_expansion bottom left corner fixed free expansion along main axes Furthermore external stress and strain acting on the simulation domain can be defined The boundary conditions are fix_isostatic_pressur fix_isostatic_strain fix_normal_pressure and fix_normal_strain accordingly For the isostatic cases either the normal pressure at the domain boundaries or the normal displacement are fixed The values should be specified in a second line real numbers units are MPa or respectively The normal variants allow the definition of normal displacement or normal stress in each direction separately In all cases the domain will expand according to the option p
62. extrema of concentration in each phase when the concentration coupling is activated and tab_conc is not set to no_ in ASCII format MICRESS user s manual 20 98 Driving files e TabD gives the diffusion coefficients at the corresponding tab_log times when the concentration coupling is activated and tab_log is not set to no_ in ASCII format e TabF for the average fraction of each phase in the whole domain when the concentration coupling is activated and tab_fractions is not set to no_ in ASCII format e TabGD gives some assorted data about each grain when tab_grain_data is not set to no_ in ASCII format e TabK number of grains when tab_grains is not set to no_ in ASCII format This file is updated by default each time a grain is set or disappears e TabL monitoring outputs when tab_log is not set to no_ which are generated at user defined intervals to check the simulation progress it also contains additional information dependant on the type of coupling activated in ASCII format e TabN stores data relevant for making Von Neumann Mullins plots when tab_vnm is not set to no_ in ASCII format e TabR for the recrystallized fraction when tab_recrystall is not set to no_ in ASCII format e TabO for orientation information when tab_orientation is not set to no_ in ASCII format e TabT reports informat
63. f you fail to comply with any provision of this Agreement Upon Termination you must destroy all copies of Software 11 3 7 Export Regulations All Software and any technical data delivered under this Agreement may be subject to export or import regulations in other countries You agree to comply strictly with all such laws and regulations and acknowledge that you have the responsibility to obtain such licenses to export re export or import as may be required after delivery to you At the time of signature of this agreement no such regulations are known to ACCESS In case such restrictions should arise in future ACCESS will notify the licensee who will acknowledge this notification in written form and who will then comply with the above MICRESS user s manual 82 98 Appendix 11 3 8 Governing Law Any action related to this Agreement will be governed by German law No choice of law rules of any jurisdiction will apply 11 3 9 Copyright notices MICRESS versions including a coupling to thermodynamic databases comprise a special interface routine TQ interface jointly developed by ACCESS and by Thermo Calc Software Thermo Calc Software AB Thermo Calc is a company based in Stockholm Sweden which supplies the software databases and services for technical calculations involving thermodynamics or diffusion ACCESS owns the rights to license the binary code of this special TQ interface By procuring MICRESS versions including a TQ
64. g off some temporary problems during transients or fluctuations Just omit the input to disable this is the default as a negative value will blank AG i e only take into account the curvature part of the driving force The description of the interaction between an anisotropic phase and an isotropic one also includes a flag for the anisotropy and if this is switched on the static and kinetic anisotropy coefficients have to be specified 5 13 Diffusion data The diffusion parameters have to be specified First the number of dissolved Driving File constituents is set Concentration data Afterwards the user has to choose whether Number of dissolved constituents int 2 the concentrations will be set in atom or Type of concentration l Options atom_percent at weight percents weight_percent wt weight_ percent For each component and phase the diffusion Options diff no_diff infinite multi f database_global database_local flag should be set the available options are b for grain boundary diffusion sf bas nae net Coe multi can be followed by a string of n d g or I diff no_diff infinite stoichio to describe each contribution respectively no diffusion user defined diffusion coefficient and global or local value from database the default is global values from mult The meaning of the first four should database How shall
65. g to be addressed in the present document first of all a quick overview of the contents of the MICRESS Bin directory Then a few words about the installation of MICRESS how to start a simulation by right clicking a driving file Contextual Menu and how to add the Bin to your path so that MICRESS and DP_MICRESS can be conveniently called from the command line Finally the tasks related to DP_MICRESS will be discussed how to create the file type for the binary result files and associate it as well as a description of the settings gt Privileges The same privilege restrictions as for the installation script apply administrator privileges are necessary for the following to apply to all users logging on the machine but any user should be able to that for him or herself depending on the local Windows settings gt Windows version language The following step by step descriptions match what has to be done with an English version of Windows XP but this process is very similar with any other Windows flavour The name of the settings will certainly be different if your operating system is in another language but the features are nevertheless the very same ones gt Final warning Please note that the following should not be construed in any respect as the best or the easiest way of performing the corresponding tasks just what looked to us to be the most obvious one and it happens to work 8 1 2 Contents of t
66. g unchanged MICRESS user s manual 34 98 Driving files 5 15 Initial concentrations Input of the initial concentration three setting the concentration for each 4 Initial concentrations possibilities are available explicitly phase with inpuf specifying only the How shall initial concentrations be set Options input equilibrium from_file phase number input Initial concentration of component 1 in phase 0 E 0 nitial concentration of ponent 1 in phase 1 299999982F 3 nitial concentration of ponent in phase 2 999999955F 2 nitial concentration of ponent in phase 0 E 0 nitial concentration of ponent in phase 1 73999995 nitial concentration of ponent in phase 2 00000006 initial concentration of one phase and using the equilibrium concentrations for the other phases is also possible with equilibrium Finally similarly to what is done for the initial grain structure the initial concentration field can be read from a file with from_file HO O O PF HW O If inpuf is used the _ initial concentrations of each constituent in each phase have to be selected even for phases which might not be initially present in this case this value is of little significance If equilibrium is chosen the concentration only have to be set for a reference phase which is by default the liquid but can be any other one present at the beginning its i
67. he Bin directory This is where the MICRESS binaries and their related files are stored gt MICRESS exe MICRESS binary gt tg dil Thermo Calc s TQ interface dynamic load library only necessary if you have a TQ coupled MICRESS version Please note that d I files might be automatically hidden by Windows Explorer gt DP MICRESS exe post processing tool for MICRESS bundled with its graphical front end gt DP MICRESS Data Display_MICRESS core gt DP MICRESS Settings txt text file storing user settings for DP_MICRESS which will be discussed further on MICRESS user s manual 60 98 Installing MICRESS under Windows 8 1 3 Installing MICRESS The MICRESS binaries are rather self contained and do not require much further processing than simply copying them on your system but a few steps might turn out to be of interest gt Thermo Calc s TQ interface It is recommended that you keep the MICRESS exe and tq dll files together which ensures that MICRESS can find the TQ library a link to MICRESS exe can be placed where you need it if need be gt Contextual menu starting MICRESS by right clicking a driving file While a driving file which is a text file and File Edit View Favorites Help therefore typically has the txt extension should Map Network Drive stay associated with your favourite text editor it is Bak QJ D Disconnect Network Drive
68. he phase field method Steinbach G J Schmitz In Modelling of Casting Welding and Advanced Solidification Processes VIII A generalized field method for multiphase transformations using interface fields Steinbach F Pezzola In Phzysica D 1999 pp 358 393 Multicomponent Multiphase Solidification of Ni Base Superalloys Phase Field Simulations Coupled to Thermodynamic Databases U Grafe B Botger J Tiaden S G Fries Steinbach In Modelling of Casting Welding and Advanced Solidification Processes IX Dual Scale Simulation of Grain Growth Using a Multi Phase Field Model Steinbach M Apel To be published in Proceedings of MRS Spring Conference 2001 Symp AA Simulation of Grain Growth Using the Multi Phase Field Method Steinbach M Apel P Schaffnit To be published in Proceedings of ReXPGG Simulation of the y a transformation using the phase field_ method Pariser G Schaffnit P Steinbach Bleck W In Steel Research 72 2001 No 9 p 354 60 History effects during the selection of primary dendrite spacing Comparison of phase field simulations with experimental observations H J Diepers D Ma Steinbach In Journal of Crystal Growth 237 239 2002 p 149 153 10 2D and 3D phase field simulations of lamellar and fibrous eutectic growth M Apel B B ttger H J Diepers Steinbach Journal of Crystal Growth 237 239 2002 p 154 158 11 Simulation of Proeutectoid Ferrite Precipitatio
69. he use of this input with C T To break some unfortunate patterns when displaying grain output it can be MICRESS user s manual 45 98 Post processing interesting to use a stepwise colour scale and randomise it with C K These previous features are unfortunately not available under Windows due to a communication problem between PGPlot and GrWin 7 2 6 Animation Display MICRESS supports animation A R will display one time step and then automatically switch to the next looping over the whole file Unfortunately it is not possible to interrupt the animation short of killing the program A E starts an animation to the last output The animation settings display time for each time step and number of loops can be changed with A S The display time might actually have to be extended to let the program proceed to the next time step in the case of large result files or simultaneous display of several solutions 7 2 7 View This category regroups various operations related to the graphical window settings Reset number of panels V P this should be self explanatory The display can be restricted to a given panel with Freeze panel V F this option is only available when a single result file is displayed all subsequent display will be made in the corresponding panel This feature is convenient to visualise in the same window specific outputs from a simulation A secondary window is open displaying the current panel sett
70. hese formats Libraries Display MICRESS relies on the following libraries PGPlot www astro caltech edu tip pgplot for all graphical operations PNG www libpng orgl for images output http www zlib net is used for compression by the PNG library and for compressing files GrWin http spdg1 sci shizuoka ac jp grwinlib english is used as a screen driver for PGPlot under Windows DP_MICRESS the graphical user interface to Display MICRESS is written in Perl www perl org uses extensively the Perl Tk module www ni s u net com and is packed as an executable with PAR par perl org MICRESS user s manual 42 98 Post processing 7 2 1 Running Display MICRESS Display MICRESS can be called from a shell providing the name of the result file s to be displayed it does not allow switching between files meaning it shall be restarted to display another file It can for example be called with DP_MICRESS Test phas if no argument is provided a summary of command line options is returned Command line options gt b results in binary single precision p divide display in panels row major two gt Zi read compressed results integers separated by x following p gt 3 4 9 respectively three four or nine ex p2x3 folded symmetry q divide display in panels column major gt f read automatic min max from the first ex q2x3 time step g read run time
71. his feature for the corresponding grain boundaries When this feature is used the user is prompted for the correction of the activation energy at the interface and the physical width of the interface 5 14 Phase diagram data The first information required is a list of the Phase diagram input data stoichiometric components The user then has to specify whether Thermo Calc coupling is to be used as List of phases and components which are stoichiometric opposed to the input of a linearised phase Phase and component s numbers End with no_more_stoichio or no_stoichio diagram which can be respectively set with no_stoichio database or no_database Is a thermodynamic database to be used Options database no_database no_database The following depends heavily on this choice and has therefore been split in two sub sections MICRESS user s manual 32 98 Driving files 5 14 1 Linearised phase diagram If the Thermo Calc coupling via its TQ interface is switched off or a phase interaction is set to linear the values 1s a thermodynamic database to be used i Options database no_database relative to the linearised phase diagram no_ database Input of the phase diagram of phase 1 and phase 2 have to be set Temperature of reference point K i aa 1149 9000 They have to be input by pair wise Entropy of fusion between phase 1
72. iated M L Go to the last output dissociated M F Go to the first output dissociated Scale S M User defined min and max of the scale S R User defined range median value and range S D Set min and max from display S G Revert to global min and max S F Force re reading of the file to set min and max MICRESS user s manual 51 98 Post processing Colour scale C 1 11 Select the colour scale to be used C L Loop though available colour scales C F Fiddle with the brightness and contrast C R Reset the brightness and contrast C Invert the colour scale C C Cut off the min and max C S Stepwise colour scale C U User defined steps for stepwise colour scale C T Toggle between user defined and default steps C K Random stepwise colour scale Animation A R Run animation A E Animate to the end A S Modify animation settings View V P Reset number of panels V F Freeze panel V R Redraw V Q Auto replot V S Resize V Z Auto resize V A Display annotations V C Display the colour scale in a secondary window V O Change the orientation of the annotations V T Increase thickness of the colour scale V W Change the background colour from black to white V 1 Enhanced 1D display V K Display the temperature at the bottom V X Close secondary windows MICRESS user s manual 52 98
73. ile for example control information for data output definition of the initial state such as position and size of initial grains or the material parameters like phase diagram information or diffusion data In the next chapter one example driving file is discussed more extensively Name of output files Specify here the path and generic name for output files Name of result files Results_Gamma_Alpha Gamma_Alpha Overwrite files with the same name Options overwrite write_protected append zipped not_zipped unix windows non_native overwrite Selection of the outputs Restart data output rest Options out_restart no_out_restart wallclock time h out_restart Grain number output korn Options out_grains no_out_grains Select here by setting to no_ the out_grains outputs not to be written out Phase number output phas Options out_phases no_out_phases no_interfaces out_phases Fraction output frac Options out_fraction no_out_fraction phase number no_out_fraction Average fraction table TabF Options tab_fractions no_tab_fractions front_temperature tab_ fractions Interface output intf Options out_interface no_out_interface sharp out_interface Driving force output driv Options out_driv_force no_out_driv_force out_driv_force Interface mobility output mueS Options out_mobility no_
74. ing clicking on one panel selects it and a second click validates the selection Redraw V R which can be useful when the user wants to update the display for example after changing some display parameter An auto replot feature is also available with V Q Resize V S makes Display MICRESS take into account the possible resizing of the display window made by the user and updates the viewport accordingly An auto resize feature can also be switched on and off with V Z Displaying annotations comments and colour scale can be set with V A four options are available comments and colour scale default colour scale only annotations only or none The colour scale can be displayed in a secondary window with V C Please note that later changes on the scale won t be reflected on this display The annotations can also be positioned to the left and right of the picture or at the bottom and top which toggled with V O for orientation of annotations this setting will also be reflected on the colour scale displayed in secondary windows The thickness of the colour scale can be increased with V T the font size for the comments will also be modified at the same time The default background colour is black but can be switched to white with V W which also affects images output Please note that writing transparent PNG images with a white background does not always provide good readability Displaying with thin 1D results i e with a
75. ing conventions It can for example be called with DP_MICRESS t Test_Binary phas Test_ASCIl phas if no argument apart from t is provided a summary of command line options is returned Command line DP_MICRESS t options i Input_File o Output_File i and o can omitted if file names are specified in that order the output name can be omitted altogether if it is the same as the input MICRESS user s manual 43 98 Post processing Available options gt a input file in ASCII gt g input is a geoF file gt d input file in double precision w transfer whole set of results gt e input file in binary single precision gt k remove output from result file ex k5 to gt y compressed input file remove fifth output gt b output file in binary single precision gt k remove sequentially from result file gt f output file double precision ex I5 I7to remove 5 and 7 outputs gt c output file in ASCII gt r rename set of results from UNIX s gt Z compress output file naming to Windows or vice versa Default gt plain file in binary not compressed output file in ASCII not compressed 7 2 2 User interface typographical conventions Display MICRESS has a full fledged graphical front end DP_MICRESS which also acts as a wrapper to Display_MICRESS itself The following describes the use with keyboard shortcuts via the graphical fron
76. ion contact Dr T J Pearson 105 24 California Institute of Technology Pasadena California 91125 USA tjp astro caltech edu The PGPLOT library both binary and source and the PGPLOT manual PGPLOT Graphics Subroutine Library are copyrighted but available without fee for education academic research and non commercial purposes Ownership of the software remains with the California Institute of Technology Users may distribute the binary and source code to third parties provided that the copyright notice and this statement appears on all copies and that no charge is made for such copies Any entity wishing to integrate all or part of the source code into a product for commercial use or resale should contact the author at the above address amp KK KF KF KK HF KH KX THE CALIFORNIA INSTITUTE OF TECHNOLOGY MAKES NO REPRESENTATIONS ABOUT THE SUITABILITY OF THE SOFTWARE FOR ANY PURPOSE IT IS PROVIDED AS IS WITHOUT EXPRESS OR IMPLIED WARRANTY THE CALIFORNIA INSTITUTE OF TECHNOLOGY SHALL NOT BE LIABLE FOR ANY DAMAGES SUFFERED BY THE USER OF THIS SOFTWARE KK KF H KF K HF KF HK F KH KF KH KF Ke KH KF KF x a The software may have been developed under agreements between the k California Institute of Technology and the Federal Government which a entitle the Government to certain rights x KEEK K K KE K K K K K K K
77. ion relative to the setting of the automatic time step when automatic time stepping has been selected and tab_log is not set to no_ in ASCII format e temp for the temperature in Kelvin when the temperature coupling is activated and out_temperature is not set to no_ e TQ txt Windows specific stores the output of Thermo Calc s TQ interface which makes it more convenient to see the text of TQ fatal errors This file is always created under Windows when Thermo Calc coupling is activated e uxCV uyCV and uzCV normal displacements when the stress coupling is activated and out_normal_displacement is not set to no_ in percent e vel for the interface velocity when out_velocity is not set to no_ in um s e vxCV vCV vzCV syyCV syzCV and szzCV components of the stress tensor xxCV yyCV zzCV are the diagonal elements in the 2D 3D case sxyCV sxzCV syzCV are off diagonal terms torsion respectively when the stress coupling is activated and out_normal_stress is not set to no_ in MPa e vM for the van Mises stress when the stress coupling is activated and out_vMiese_stress is not set to no_ in MPa MICRESS user s manual 21 98 Driving files 5 8 Time input data The times of user defined intermediate outputs is to be Driving File specified here It is Time input data sometimes convenient to have an early
78. irst being the temperature and the second the value of the corresponding material property at this temperature A linear interpolation will be performed between the values supplied by the user MICRESS user s manual Phase diagram input data A description of each pairwise thermodynamic interaction has to be specified Equilibrium temperature real K between 0 and 1 1000 000 Entropy of fusion between phase LIQUID and 1 real J cm 3 K 0 5000000 Temperature Data Type of thermal conductivity definition for phase 0 Options constant temp_dependent constant Thermal conductivity of phase 0 real W cm K 0 5000000 Type of thermal conductivity definition for phase 1 Options constant temp_dependent constant Thermal conductivity of phase 1 real W cm K 0 5000000 Type of specific heat capacity definition for phase 0 Options constant temp_dependent constant Specific heat capacity of phase 0 1 000000 Type of specific heat capacity definition for phase 1 Options constant temp_dependent constant Specific heat capacity of phase 1 1 000000 latent heat for phase interaction O 1 10 00000 real J cm 3 K real J cm 3 K real J cm 3 36 98 Driving files 5 18 Latent heat parameters In this section specific input data for the release of latent heat are defined which can be 4 simulated or not
79. large number of cells can sometimes be a bit dissatisfactory toggling on the enhanced 1D display mode with V 7 usually helps If a TabF result file was written the temperature at the bottom can be displayed with V K Secondary windows can be closed with V X meaning the colour scale virtual EDX and scan point windows MICRESS user s manual 46 98 Post processing 7 2 8 Display The display of length scale is toggled on and off by D L the reference length can be set by default or chosen by the user with D M Letting Display MICRESS select the length to be displayed automatically ensures that its representation is between one fifth and half of display By default this scale is horizontal but it can also be flipped to vertical with D F Known limitation the display of the length scale is not satisfactory with high zooming but the results are anyway deemed not have much meaning at the corresponding resolutions The zoom can be called with D Z the user then has to define the zoom box area which will be displayed afterwards by setting two opposite corners with mouse clicks once these two points have been set the zoom box is drawn and can be refused by pressing the right mouse button or X in which case another zoom box can be set or accepted by pressing any other key Zoom out with D Y no progressive zooming out is done i e Zoom options are directly reset to their default values i e full picture It is
80. lculations AnzY 1 for 1D calculations AnzxX 1 AnzyY 1 Anzx 250 Anzy 1 AnzZ 250 Cell dimension grid spacing in micrometers 0 25000000 Sh SR SR OSE Se SR SR SR SR SR OBI Sk Sk SR OSE SR SR SR SR SR SR SR SR OR Type of coupling Options phase concentration temperature temp_cyl_coord stress stress_coupled flow concentration Type of potential Options double_obstacle double_well double_obstacle Enable averaging of the driving force along the normal to the interface Options averaging no_averaging averaging Enable one dimensional far field approximation for diffusion Options 1ld_far_field no_ld_far_field no_ld_far_field Shall an additional 1D field be defined in z direction for temperature coupling Options no_ld_temp i1ld_temp I1d_temp_cylinder I1d_temp_polar no_1ld_temp Phase field data structure so Se es las eS a Se S Coefficient for initial dimension of field iFace minimum usage target usage 0 1 Coefficient for initial dimension of field nTupel minimum usage target usage 0 1 MICRESS user s manual 87 98 Appendix Restart options Restart using old results Options new restart new Name of output files Name of result files Results_Gamma_Alpha Gamma_Alpha Overwrite files with the same name Options overwrite write_protected zipped not_zipped overwrite
81. ma Aphia Open K B TQ_1_Ripening_ 5 f Print Application used to perform action cancel 102 Dendrite earner SSE _E MICRESS Bin MICRESS exe E TQ_3_Eutectic_ oe C Use DDE MICRESS user s manual 61 98 Installing MICRESS under Windows gt Adding the MICRESS Bin directory to your path This is only useful if you plan to start MICRESS or DP_MICRESS from the command line in which case not having to specify the path to the binaries can save quite a bit of typing i e MICRESS instead of E MICRESS Bin MICRESS for example In the Windows Control Panel go to System possibly via Performance and Maintenance if the Category View is enabled and go to Advanced and select Environment Variables From there edit the System Variable named PATH to which the absolute path to your Bin directory should be appended with a semi column as an item separator System Properties System Restore Automatic Updates Remote a gt Windows Messenger _ ____ a E Control Panel General Computer Name Hardware Advanced Tour minach aE ceil Recess and You must be logged on as an Administrator to make most of these changes Performance 5 Files and Settings Transfer k Printers and Faxes wizard s w Microsoft Word Help and Support Search User Profiles All Programs gt ae Desktop
82. n this should hopefully be self explanatory If the grains phase is to be categorised the number of distinct categories orientations into which the grains have to be sorted can be specified Minimum and maximum nucleation temperatures for each seed type to be nucleated have to be specified afterwards Then the simulation time in seconds between checks for nucleation has to be input the main influence of this parameter is to speed up the calculation it can therefore be left to 0 automatic as a first try Some noise can be added to the calculation of the driving force for nucleation flag nucleation_noise no_nucleation_noise if set the coefficient for the noise level and a seed for the random number generator will be asked The noise is applied as AG lt 1 kx random Y G where 0 lt random lt 1 is the output of the random number generator and AG the driving force for nucleation constitutional undercooling or stored energy MICRESS user s manual 28 98 Driving files In some cases the user might wish to limit the number of nucleations events per call to the nucleation routine this can be done afterwards In some cases stabilised nuclei can reach a metastable state at which they do not grow any more as they are meant to but nevertheless do not vanish because the weighting of the curvature term in the phase field equation slows their disappearance to a standstill It is
83. n during Technical Heat Treatment Pariser G Schaffnit P Steinbach Bleck W In MS amp T 2003 Austenite Formation and Decomposition E B Damm M J Erwin edt 9 12 November 2003 Chicago p 279 290 12 Analysis of the gamma alpha_ Transformation in C Mn_ steel by phase field modelling M G Mecozzi J Sietsma S van der Zwaag M Apel P Schaffnit Steinbach In Metallurgical and Materials Transactions A 36A 9 2005 2327 13 Transient growth and interaction of equiaxed dendrites Steinbach HJ Diepers C Beckermann In Journal of Crystal Growth 275 3 4 2005 624 MICRESS user s manual 79 98 Appendix 14 An effective mobility approach to solute drag in computer simulations of migrating grain boundaries H Strandlund J Odqvist and J Agren Submitted manuscript 15 Interaction of interdendritic convection and dendritic primary spacing Phase field simulation and analytical modelling H J Diepers Steinbach In SOLIDIFICATION AND GRAVITY IV MATERIALS SCIENCE FORUM 508 2006 145 16 Phase field simulation of equiaxed solidification in technical alloys B Boettger J Eiken I Steinbach In Acta Materialia 54 10 2006 2697 17 Controlling Microstructure in Magnesium alloys A combined thermodynamic experimental and simulation approach B Boettger J Eiken M Ohno G Klaus M Fehlbier R Schmid Fetzer I Steinbach and A Buhrig Polaczek In Advanced Engineering Materials 8 4 2006 241
84. n n close GEOF exit lsa Read from GeoF file if read GEOF Bytes 32 32 print Error while reading from GeoF File Name n E n n close GEOF exit Record_Length_1 Nb Pts X SNb Pts Y Nb Pts Z Grid_Spacing X Grid_ Spacing Y Grid_ Spacing Z Record Length 2 unpack T4f3I SBytes esed Open result file if open RESULT lt Result_File_Name print Error while opening Result_File_Name n E n n exit if binmode RESULT print Error while setting file to binmode Result _File Name n Ua E ge W n n close RESULT exit lasag Read from result file Nb_Pts Nb Pts X Nb Pts Y Nb Pts Z Bytes_to_Read 4 Nb_Pts 4 Format IfIf Nb_Pts 5 ES if read RESULT Bytes Bytes to Read Bytes to Read print Error while reading from SResult_File Name n E n n close RESULT exit Record_Length_1 Time S Nb Pts Total Data 1 Nb_Pts SRecord Length 2 unpack Format Bytes j Dered MICRESS user s manual 74 98 Fully Answered Questions 10 2 Decrypting the nucleation message When a nucleation occurs at run time MICRESS issues a message summarising some information the MICRESS on screen output nucleation time temperature at the bottom and Seed number 5 set at time t 1 00E 01 s u
85. n temperature for seed type 2 K 1200 0 Time between checks for nucleation s 1E 1 Shall random noise be applied Options nucleation_noise no_nucleation_noise no_nucleation_noise MICRESS user s manual 93 98 Appendix Input for seed type 3 SSS SaSSSSSS2S5S55S5 Type of position of the seeds Options bulk region interface triple quadruple restrictive bulk Phase of new grains Which nucleation model shall be used Options seed_undercooling seed_density seed_undercooling maximum number of new nuclei 3 2 Reference phase 1 500 Grain radius micrometers 0 0000 Choice of growth mode Options stabilisation analytical_curvature stabilisation min undercooling K gt 0 65 000 Shield effect Shield time s 20 000 Shield distance micrometers 7 5000 Nucleation range min nucleation temperature for seed type 3 K 1000 0 max nucleation temperature for seed type 3 K 1200 0 Time between checks for nucleation s 1E 1 Shall random noise be applied Options nucleation_noise no_nucleation_noise no_nucleation_noise Max number of simultaneous nucleations set to 0 for automatic Shall metastable small seeds be killed Ik OR Options kill_metastable no_kill_metastable no_kill_metastable Phase interaction data Data for phase interaction 0 1 Simulation of interaction
86. ncluding t 0 the time except of course for t 0 the temperature at the bottom and the temperature gradient in the zdirection The temperature and temperature gradient are linearly interpolated between these transition points MICRESS user s manual Boundary conditions Type of temperature trend Options linear linear_from_file linear Number of connecting points 2 Initial temperature at the bottom real K 1150 Temperature gradient in z direction K cm sinus integer 0 E 0 1 Connecting point time t sec 2 5 1 Connecting point temperature 1125 1 connecting point temp gradient in z direction K cm 5 2 Connecting point time t sec 7 5 2 Connecting point temperature 1000 2 connecting point temp gradient in z direction K cm 25 37 98 Driving files It is also possible to read this information from a file consisting of three columns storing respectively the time in seconds the temperature at the bottom in Driving File Kelvin and the gradient in Kelvin per centimeter Finally is also possible to describe the temperature Boundary conditions evolution by a single cooling rate and temperature Type of temperature trend Options linear sinus linear Number of connecting points 0 Initial temperature at the bottom real K 1155 Temperature gradient in z direction K cm 0 E 0 Cooling rate
87. ndercooling are deemed to be self explaining First of all the seed number is printed it sums up all the seeds HA oe ase which have been set without consideration of the seed Seed type 1 us A u i 2 Temperature at the bottom 1099 0 K type It also specifies where this seed was set i e in a Undercooling 50 900 K user defined region in the bulk at a binary interface a Grainnumper 13 triple junction or higher order one quadruple point as well as the phase of this seed These two specifics are actually implicit knowing the seed type which is also specified The final bit is the grain number which might require some explanations it is a grain identifier which is used to formally assign each grain its own phase field parameter this number can be re used which means that if a grain disappears its number might be re used for a fresh nucleus 10 3 Reading in initial microstructures MICRESS can read initial microstructure and composition or temperature fields from a file to start from arbitrary initial conditions The file to be read should be in ASCII with a know geometry number of cells in X and Y direction the dimension of the read in data set does not need to be identical to the simulation s The most intricate case is probably reading an experimental grain structure but this is not as daunting as it could seem Here is a description of how it can be done with GIMP GNU Image Manipulati
88. ndex should then be specified in the same line 5 16 Elastic material data This only applies stress and me 7 Input of materal data for elastic calculation stress_coupled simulations The first input is the phase number of a matrix Phase number of the matrix phase int phase The strain and the calculation 1 of the Eigenstrains will be referenced c Doo Oe pie SD reoni nyom ptions plane_stress plane_strain to this phase Then for each phase its Digi stress molar volume and three tensor coefficients of Hooks matrix in Voigt molar volume cm 3 phase 0 notation C41 C12 Cy are the 18240023 i Elastic components Voigt notation necessary input With these C11 MPa gt 0 phase 0 23300 parameters isotropic and cubic lattice C12 MPa gt 0 lt C11 phase 0 13300 symmetries can be represented C44 MPa gt 0 phase 0 11600 MICRESS user s manual 35 98 Driving files 5 17 Temperature data In the case of temperature coupling the phase equilibrium can be described only with the equilibrium temperature and the entropy of fusion The other inputs are the heat conductivity A heat capacity pC and latent heat for each phase The two former can be input as constant values or treated as temperature dependant parameters in which case a text file describing this dependency has to be specified These files should consist of two columns the f
89. nity Restart using old results Options new restart of modifying them new Note extreme caution should be exercised when modifying dimension parameters in conjunction with the restart feature MICRESS user s manual 17 98 Driving files 5 6 Output name The base name of the results is to be specified next the name Driving File each output file will be derived from it under Linux by appending Name of output files an extension identifying the Name of result files contents of the file see next Results_Gamma_Alpha Gamma_ Alpha Overwrite files with the same name section Under Windows the Options overwrite write_protected append zipped not_zipped unix windows non_ native overwrite principle is the same though the marker identifying the contents of the file is rather appended to the generic name after an underscore followed by an mcr for binary files and txf for ASCII files For example when specifying Simulation as a base name under Linux leads to outputs named Simulation log and Simulation geoF whereas under Windows they would be called Simulation_log txt and Simulation_geoF mcr Additionally Gesamt result files denoted by G and or 1D extension marked with 1D_Ext as well as 1D temperature 1D Temp can also be created The output files G are created for simulations
90. nt and can be called with E F It gives the distance from the beginning of the scan line first point selected of the first occurrence of the set value if this value is not found 1 will be reported It is also possible to display the evolution over time of the value of the field variable for a given point with the Scan Point feature which works in a very similar way to the Virtual EDX it can be called with E P Note if several result files are displayed the user will be prompted to select which solution s should be scanned This applies in a similar way to the Virtual EDX outputs MICRESS user s manual 49 98 Post processing 7 2 14 Virtual EDX outputs Text output for current time step creates an ASCII file with the results of the scan R T it is also available for all time steps R U Scan position output writes an image with the position of the scan line similarly for current time step R 1 or for all time steps R J An image of the curves is also available respectively with R C for the current time step and R D for all time steps t is also possible to generate a single plot with the scans for all time steps with R S or a selection of them with R M For Front Tracking text output R F and curve output R G are available the corresponding scan position output are of course identical to the ones from Virtual EDX Similarly for Scan Point text outputs R P position output
91. oint within the simulation domain having positive x y and z coordinate MICRESS user s manual 23 98 Driving files 5 10 2 Deterministic grain positioning First the type of grain geometry is asked it can be round i e spherical rectangular or elliptic please note that this only applies to the set shape which can be modified by the Voronoi construction Grain input see hereafter The coordinates radius or length of Type of grain positioning Options deterministic random from_file deterministic specified Number of grains at the beginning 9 Geometry Options round rectangular elliptic round curvature has to be specified it can either be x z coordinates micrometers grain number 1 sides for rectangular or axis for elliptic should be Then the type of description to be used for the 102 480003 stabilisation or analytical_curvature the latter 41 9399986 Grain radius micrometers being mostly suitable for grains whose radii are 46 7200012 Shall grain 1 be stabilized or shall an analytical curvature description be applied smaller than or of the order of the grid spacing the former takes affects only with grains which are Options stabilisation analytical_ curvature stabilisation smaller than a grid cell Voronoi criterion will be applied Options voronoi no_voronoi voronoi By default MICRESS uses a Voronoi const
92. on Program Version 1 2 5 cf www gimp org newer versions have similar functionalities but the naming might be slightly different Any full fledged image manipulation program should support similar procedures The initial micrograph is courtesy of IEHK RWTH Aachen MICRESS user s manual 75 98 Fully Answered Questions 10 3 1 Step by step description 1 Image Transform Zealous Crop to get rid of any frame 2 lLayers Layers Channels amp Paths Layers insert a new transparent layer 3 Select a clearly different foreground color just to help see what has been drawn 4 Tools Paint Tools Pencil to draw the boundaries on the transparent layer 5 Layers Layers Channels amp Paths Layers remove the background layer original image Make sure not to leave dangling boundaries so that each grain is closed the boundaries of the domain themselves do not have to be re drawn as MICRESS will perform this task see note on the boundary conditions hereafter 6 Image Mode Indexed Use Black White 1 Bit Palette No Color Dithering 7 File Save as save to pgm by Exporting first make sure to save the file in ASCII 8 This file has to be somewhat massaged into a shape fit for MICRESS consumption please see the note on this topic hereafter It is probably not the best solution certainly not even the easiest one but it s relatively straightfor
93. or value from database the default is How shall diffusion of component 1 in no_diff How shall diffusion of component 1 in diff Diff coefficient Prefactor real cm 2 s 0 23400 Activation energy real J mol 1 47700E 05 How shall diffusion of component 1 in diff Diff coefficient Prefactor real cm 2 s 0 12300 Activation energy real J mol 98290 How shall diffusion of component 2 in no_diff How shall diffusion of component 2 in diff Diff coefficient Prefactor real cm 2 s 0 15900 Activation energy real J mol 2 61600E 05 How shall diffusion of component 2 in diff Diff coefficient Prefactor real cm 2 s global phase phase phase phase phase phase j 7 local values from database 0 be 1 be 2 be 0 be 1 be 2 be solved solved solved solved solved solved 127 00 Activation energy real J mol 2 70800E 05 Phase diagram input data List of phases and components which are stoichiometric phase and component s numbers End with no_more_stoichio or no_stoichio no_stoichio Is a thermodynamic database to be use Options database no_database no_database MICRESS user s manual d 96 98 Appendix Input of the phase diagram of phase 1 and phase 2 a Temperature of reference point K 1149 9000 En
94. out_mobility no_out_mobility MICRESS user s manual 13 98 Running MICRESS 4 2 Start the calculation Under UNIX type the name of the MICRESS binary followed by the driving file MICRESS will then parse its contents Under Windows drag and drop the driving file on the MICRESS binary or a link to it or use the contextual menu which should have been made available by the installer by right clicking the driving file which should have a txt extension 4 3 Check the output During run time some information can be read on screen first the input data is displayed as the same time as it is read by MICRESS then during calculation time other data can be read such as the current time step and the temperature at the bottom of the calculation along with processing time Also each time a new phase or grains appears the user can be notified The output of MICRESS consists of various files whose content is specified by the extension e jJog is the log file of simulation time output in ASCII e inis the driving file created by MICRESS which can be used to repeat the simulation e geoF stores information relative to the geometry i e grid size cell dimension e TQ txt Windows specific stores the output of Thermo Calc s TQ interface which makes it more convenient to see the text of TQ fatal errors Please see section describing the Outputs for an exhaustive overview of the out
95. output just to Finish input of output times in seconds with end_of_simulation check that the simulation has regularly spaced outputs can be set with linear_step or logarithmic_step and then specifying the increment indeed normally started and end v 00 25 Series of output with a regular 01 00 alue interval can be easily input linear_step 00 50 10 00 linear_step 01 00 25 00 with linear_step or end_of_simulation Time step logarithmic_step which Options prompts for an increment and automatic the end value on the Eg previous example the user request outputs for t 00 25 s 01 00 s every 00 50 s until 10 0 real automatic 0 lt factor_1 lt 1 0 lt factor_2 max min Fix time steps just input the value Number of iterations for initialisation 0 s and every 01 00 s until 25 00 s It is possible to have several of these loops logarithmic_step is a similar feature for geometric series The input of the output time is to be finished with the keyword end_of_simulation Then the time step for the phase field solver is to be specified It is extremely advisable to use automatic time stepping apart from some pathological cases this should therefore be used by default If you nevertheless want to use constant time step here are a few guidelines to follow the minimum value for the time step consistent with the diffusion parameter
96. ows where the default image driver is G F The default names can be automatically accepted with O D 7 2 13 Virtual EDX The Virtual EDX tool scans any given line from the display and plots the variation of the field variable along this line It can be called by E D after which the user is to set the beginning and end of the scan line with two mouse clicks similarly to what is implemented for the zoom tool the selected line is displayed on screen and can be refused by pressing the right mouse button or X in which case another line can be set or accepted by pressing any other key The results of the scan are then displayed in a secondary window It is also possible to display in a single plot the scans along the selected line for all time steps with E E or for a selection of outputs with E C chosen time steps It is also possible to select lines parallel to the X or Y axis of the display respectively with E X and E Y the user can specify the line by entering the coordinate of the cut similarly to what the LineScan tool does The last selected scan line can be plotted again with E R replot or re scanned with E S Scans can be normalised rescaled so that their integral is one with E N which also disable it Also applies to all subsequent Virtual EDX outputs Once a line has been set it is possible to scan it for a given value over all the time steps this feature provides a convenient way of tracking a fro
97. perations These include going to the next N previous P last L or first F time steps Hopefully these operations should be self explanatory When several files are displayed simultaneously these operations can also be applied to a selection of the results only with respectively M N M P M L or M F 7 2 4 Scale By default minimum and maximum are chosen as the extrema of the whole result file which implies that the entire file has to be read which might take some time for very large simulations unless the f option was set from the command line and then the automatic min and max are set from the local min and max of the first time step The available options are user defined min and max S M a secondary window is opened to let the user modify the min and max settings user defined range S R similar to the previous but min and max are set as median value and range use local min and max S D which sets the extrema from what is displayed which can be only part of the result for the current time step if the zoom is in use and finally revert to automatic i e global min and max S G if the f option was used the file is then read for the global extrema S F explicitly force the file to be re read to find out the global extrema Note if several result files are displayed the user will be prompted to select the solutions to which these operations should be applied to User defined settings will affect all solu
98. pling is activated and at_heat is not set to no_ in ASCII format e diff shows the data provided by Thermo Driving File Calc via its TQ interface Recrystallisation output rex for the diffusion Options out_recrystall no_out_recrystall no_out_recrystall Recrystallysed fraction output TabR Options tab_recrystall no_tab_recrystall no_tab_recrystall coefficients in ASCII format available when this option is activated Miller Indices output mill Options out_miller no_out_miller e driv driving force for no_out_miller Orientation output orie growth of grain with Options out_orientation no_out_orientation high b into th no_out_orientation INET TOOMOCE IMH Should the orientation time file be written out TabO lower one when Options tab_orientation no_tab_orientation no_tab_orientation out driv force is not set Should monitoring outputs be written out TabL TAAR 3 Options tab_log simulation time s wallclock time min no_tab_log to no_ in J cm tab_log 0 25 e frac for the fraction of solid when out_fraction is not set to no_ similarly fracN shows the fraction of phase N e geoF stores information relative to the geometry i e grid size cell dimension e hAStr for hydrostatic stress when the stress coupling is activated and out_vMiese_stress is not set to no_ in MPa e inis
99. purpose It can prove convenient to add the MICRESS bin directory to your path to save some typing or place links to MICRESS and DP_MICRESS in a directory in your search path The DP_MICRESS settings file can also be edited in similar manner as mentioned before MICRESS user s manual 64 98 Installing MICRESS under Windows 8 3 Starting a FLEXIim license server under Windows Start Imtools exe and go to the Config Services tab last but one and set it up in a similar way as shown here this is rather self explanatory once this is done save this Service LMTOOLS by Macrovision Corporation http www macrovision com Bs iol x File Edit Mode Help Service License File System Settings Utilities Start Stop Reread Server Status Server Diags Config Services Borrowing Configure Service Save Service Service Name MICRESS_License_Server Remove Service Path to the Imard exe file C MICRESS_5_29 FLEXIm Imgrd exe Bowe Path to the license file MICRESS_5 29 FLEXIm MICRESS_License lic Bowe Path to the debug log file AMICRESS_5_23 FLEXIm Server_Log File txt Browse View Log Close Log JV Start Server at Power Up M Use Services Afterwards witch to the Start Stop Reread tab roughly in the middle pick the service you have just saved and start it LMTOOLS by Macrovision Corporation http www macrovision com File Edit Mode Help Service License File Syst
100. purposes or needs This library is provided with all faults and the entire risk of satisfactory quality performance accuracy and effort is with the user libpng versions 0 97 January 1998 through 1 0 6 March 20 2000 are Copyright c 1998 1999 2000 Glenn Randers Pehrson Distributed according to the same disclaimer and license as libpng 0 96 with the following individuals added to the list of Contributing Authors Tom Lane Glenn Randers Pehrson Willem van Schaik libpng versions 0 89 June 1996 through 0 96 May 1997 are Copyright c 1996 1997 Andreas Dilger Distributed according to the same disclaimer and license as libpng 0 88 with the following individuals added to the list of Contributing Authors John Bowler Kevin Bracey Sam Bushell Magnus Holmgren Greg Roelofs Tom Tanner libpng versions 0 5 May 1995 through 0 88 January 1996 are Copyright c 1995 1996 Guy Eric Schalnat Group 42 Inc For the purposes of this copyright and license Contributing Authors is defined as the following set of individuals Andreas Dilger Dave Martindale Guy Eric Schalnat Paul Schmidt Tim Wegner MICRESS user s manual 58 98 Post processing The PNG Reference Library is supplied AS IS The Contributing Authors and Group 42 Inc disclaim all warranties expressed or implied including without limitation the warranties of merchantability and of fitness for any purpose The Contributing Authors and Group 42 Inc as
101. put files written by MICRESS Windows naming conventions MICRESS Windows version creates file names in a slightly different way the previous extensions are appended to the simulation name with an underscore and then followed by mcr for binary files and txt for ASCII files to be able to make use of Windows file association features For example the UNIX file Simulation log becomes Simulation_log txt and Simulation phas Simulation_phas mcr The conversion tool from Display MICRESS can also rename the files once the simulation has been completed MICRESS user s manual 14 98 Driving files 5 Driving files MICRESS inputs are read from a text file so called driving file which is actually quite convenient to perform similar simulations Attention should also be paid to the on screen information when starting new simulations from scratch as significant hints are provided by MICRESS on which values they should be set to The driving files are divided into several sections which are Language settings Dimension parameters Restart Outputs Time input data Phase data Grain input data Nucleation parameters Phase interaction data Diffusion data Phase diagram data Initial concentrations Elastic material data Latent heat parameters Temperature data and Boundary conditions 5 1 Switching to keyboard input When making modification to a driving file it is sometimes convenient to make the in
102. put for a block of settings interactively for example when one is not sure about the exact sequence of the input expected by MICRESS This can be achieved by inserting the keyword __Switch__ in the driving which causes subsequent input to be read from the keyboard typing this keyword again at any later time makes MICRESS revert to file input for further input The user should make sure that the contents of driving file correspond to the input expected by MICRESS processing of the driving file is simply resumed after the keyword 5 2 MICRESS License MICRESS looks up whether a valid MICRESS on screen output license can be found at several default locations previously valid licenses found if any working directory License directory where the binary is under No valid license could be found at the default locations f f working directory localhost and Windows a license server is running file specified by the MICRESS_LICENSE environment variable Please specify a license file on the local machine under UNIX or ora machine where a license server is running the file or machine specified by the MICRESS_LICENSE environment variable If no valid license can be found in this way the user will be prompted for it this only has to be done once as the locations of the valid licenses are remembered by FLEXIm MICRESS user s manual 15 98 Driving files 5 3 Langu
103. quested outputs time described in the following section rather than as tab_log outputs see hereafter All files are listed here in alphabetical order of the extension e concN for the concentration of component N when the concentration coupling is activated and out_conc is not set to no_ The concentrations are in at or wt as set in the driving file e cPhaN is similar to the previous output except in the interface regions where the concentration in a given phase is given out as opposed to the mixture concentration it is written out when the concentration coupling is activated and out_conc_phase is not set to 6 no J e dGsp for the contribution of Selection of the outputs Restart data output Options out_restart out_restart Grain number output Options out_grains out_grains Phase number output Options out_phases out_phases Fraction output Options out_fraction no_out_fraction Average fraction table Options tab_fractions tab_ fractions Interface output Options out_interface out_interface Driving force output no_out_restart no_out_grains no_out_phases no_out_fraction rest wallclock time h korn phas no_interfaces frac phase number TabF no_tab_fractions front_temperature intf no_out_interface sharp driv Options out_dri
104. re description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Input data for grain number 5 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 5 13 170000 35 485001 Grain radius micrometers 27 020000 Shall grain 5 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Input data for grain number 6 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 6 29 305000 12 820000 Grain radius micrometers 27 770000 Shall grain 6 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation Voronoi criterion Options voronoi no_voronoi voronoi Phase number integer 1 Input data for grain number 7 Geometry Options round rectangular elliptic round x z coordinates micrometers grain number 7 4 7849998 31 465000 Grain radius micrometers 25 370001 Shall grain 7 be stabilized or shall an analytical curvature description be applied Options stabilisation analytical_curvature stabilisation
105. rent version MICRESS is approved for the following minimal system configuration gt Windows WinNT or higher or Linux version 2 2 or higher gt Processor Intel Pentium III or 100 compatible and 512 MB main memory Graphic card gt 2 GB disk storage 3 2 Other platforms Standard MICRESS versions support only Windows and Linux MICRESS user s manual 10 98 Installation 3 3 MICRESS distribution files After installing MICRESS you should have the following files MICRESS Bin DP_MICRESS DP_MICRESS_Settings txt MICRESS MICRESS_Double MICRESS_No_TQ libtq so FLEXIm ACMICRES Imutil under Windows file name becomes exe under Windows tq6 dll and Dformd dll under Windows Imtools exe several files c f chapter 8 Standard examples for a detailed list there are two directories GES _ Files Unix and GES _ Files Intel respectively for big and little endian platforms link to MICRESS binary MICRESS Ink under Windows Driving files GES _Files MICRESS Microstructure txt SD_KTH_Mobility_Data txt Display_MICRESS pdf MICRESS pdf FLEXIm_End_ User pdf 7 several directories c f chapter 8 Standard examples for a detailed list MICRESS user s manual 11 98 Installation 3 4 Installation Procedure Installing MICRESS should be quite straightforw
106. ription that you want to use For this kind of File Type a description that you want to use For this kind of file MICRESS result file Always use the selected program to open this kind of file 7 Sand Always use the selected program to open this kind of File erowse _ If the program you want is not in the list or on your computer you can look If the program you want is not in the list or on your computer you can look for the appropriate program on the Web for the appropriate program on the Web a a Gamma_ lpha_conci 18 001 KB MICRESS result file z Gamma_Alpha_conc2 18 001 KB MICRESS result File i Gamma_Alpha_geoF 1KB MICRESS result File a Gamma_Alpha_phas 18 001 KB MICRESS result File MICRESS user s manual 63 98 Installing MICRESS under Windows gt Settings file It is possible to customise several things via the settings file DP_MICRESS_ Settings txt If you want to access Display_MICRESS manual and or the MICRESS hotline from DP_MICRESS set respectively Display_Manual and Display_Link to 1 In this case Acrobat and Browser should be set to absolute paths to a suitable Portable Data File viewer and web browser Similarly an external snapshot tool can also be made available The front end for calling DP_MICRESS is available in two flavours cut down and advanced switch between the two with Standard_Only Some additional flags can also be pass
107. rmission is granted to anyone to use this software for any purpose including commercial applications and to alter it and redistribute it freely subject to the following restrictions 1 The origin of this software must not be misrepresented you must not claim that you wrote the original software If you use this software in a product an acknowledgment in the product documentation would be appreciated but is not required 2 Altered source versions must be plainly marked as such and must not be misrepresented as being the original software 3 This notice may not be removed or altered from any source distribution Jean loup Gailly Mark Adler jloup gzip org madler alumni caltech edu The data format used by the zlib library is described by RFCs Request for Comments 1950 to 1952 in the files ftp ds internic net rfc rfc1950 txt zlib format rfc1951 txt deflate format and rfc1952 txt gzip format d GrWin Graphical library which is used as a driver for the Windows version of Display MICRESS http spdg1 sci shizuoka ac jp grwinlib english The files mentioned in above URL and associated documents are copyrighted by Tsuguhiro TAMARIBUCHI but available freely for any purposes Users may redistribute the file IGrWn0999be tgz to third parties for non commercial purposes provided that no charge except necessary minimum costs in the distribution is made This software is provided AS IS without warranty of any kind MICRESS user
108. ruction AREE number integer for regions where grains overlap this behaviour can be changed with the voronoil no_voronor flag which causes grains to set over the other ones The phase of each grain is also asked If the grain s phase is not isotropic its orientation has to be set If the phase is one for which recrystallisation is simulated the user is also prompted for a stored energy in J cm MICRESS user s manual 24 98 Driving files 5 10 3 Random grain positioning The user has to specify how many types of Driving File grains are to be defined and how many grains of each type are to be set Then these types have to be defined setting Grain input the geometry minimum and maximum values Type of grain positioning pa a Options deterministic random from_file for coordinates radii in micrometers what random Integer for randomization kind of treatment of the curvature should be 13 3 applied flag for the Voronoi construction Number of different types of grains 2 phase and if applicable and stored energy a of grains of type 1 Afterwards if the considered phase is Number of grains of type 2 30 anisotropic the orientation of the grains has to Input for grain type 1 be defined it can either be completely Geometry of grain type 1 random fixed or within a defined range Options round rectangular elliptic i i round Finally if the grains phase is
109. s is displayed on screen during initialisation after reading MICRESS on screen output Beginning of initialization Routine init calls routine initTwidth tWidth_max 1 1 0 1187500 s tWidth_max 1 2 0 2375000 s tWidth_max 2 2 0 7916666E 01 s Maximal value for tWidth 0 7916666E 01 s for Phase field Maximal value for tWidth 9 3571907E 05 s for Conc field all the input MICRESS will not perform simulation with too high a time step As a general rule the user can set the time step between one half and one third of this value as a relatively error free guess Please note that when automatic mobility is used the interfacial mobilities and the time step are dependant see paragraph 5 10 Phase interaction data Before starting the simulation MICRESS can perform several preliminary iterations to generate a smooth interface which is originally input with a sharp interface and is therefore out of equilibrium in the phase field description after which the simulation time is set to zero MICRESS user s manual 22 98 Driving files 5 9 Phase data Driving File First input the number of phases then for each phase whether recrystallisation should be Phase data simulated the type of anisotropy for each solid phase have to be specified and can be set to isotropic anisotropic or facete and the type of crystal symmetry The grains
110. s possible to display their difference with D D It is possible to use a ogarithmic scale D N the result data is first cut off to the maximum and minimum for the scale which should be positive It is also possible to take the absolute value of the results with D A 7 2 9 Vector field Display MICRESS also supports vector field representation which can be activated with B 2 the last file displayed being the Y component of the vector and the last but one the X component this is obviously only available with three files at least when more are displayed they get the same vector field Similarly a 3D vector field mode is also available B N the X Y and Z components of the MICRESS user s manual 47 98 Post processing vectors are respectively read from the last three files the two ones in use depending on the cutting plane direction the third one being temporarily ignored The corresponding settings can be modified with B S they are the minimum and maximum intensity to be plotted the thinning distance the averaging area for which a vector is displayed and the position of the vector in this area centred or not A vector scale representing the maximal intensity can be plotted with B X The colour of the vectors can be controlled with B B which loops through black white and bi colour 7 2 10 Isolines Display MICRESS supports various isolines options the first of which is their displ
111. settings related to your logon Visual effects processor scheduling memory usage and virtual memory Settings Startup and Recovery System startup system failure and debugging information Environment Variables Cats User variables for Administrator Environment Variables Error Reporting Variable Value TEMP E Documents and Settings Administrat TMP E Documents and Settings Administrat Edit System Variable System variables variable value Variable name Path ComSpec E WINDOWS system32 cmd exe 2 FP_NO_HOST_C NO Variable value Root System32 Wbem E MICRESS Bin NUMBER_OF_P 1 Os Windows_NT p EAWINDOWSsystem32 EA WINDOWS Ca MICRESS user s manual 62 98 Installing MICRESS under Windows 8 1 4 Installing DP_MICRESS gt Associate MICRESS result file extension with DP MICRESS Gamma _Alpha_conc1 mer 18 001 KB MCR File If an Mer File Type is already present on your system El Samma_Alpha_conc2 mer 10 00 ea TNER M proceed in a similar way as described in Contextual menu Z Gamma_Alpha_geoF mcr eG starting MICRESS by right clicking a driving file fE Gamma_Alpha_phas mc 18 001 KB MCR File Otherwise double click a binary result file Windows will own up that there is no defined way of dealing with such files choose Select T the program from a list In the following dialog lo Windows cannot open this file
112. solving the free boundary problem of moving phase boundaries MICRESS is based on the multi phase field method which defines a phase field parameter for each phase involved The phase field parameter describes the fraction of each phase as a continuous function of space and time Additionally each single grain is mapped to a distinct phase field parameter and formally treated as an individual phase The theory leads then to a set of coupled partial differential equations which describes the evolution of the phase field parameter and concentration temperature stress and flow fields Please see Reference list in section 11 2 for some literature on that subject The total set of equations is solved explicitly by the finite difference method on a cubic grid MICRESS handles e 1 2 3 dimensional calculation domains e arbitrary number of components phases and grains e solid solid and solid liquid interaction e anisotropy of grain boundaries mobility and energy e it also supports run time coupling to thermodynamic database via the TQ interface of Thermo Calc Restrictions e square cubic equally spaced grid MICRESS user s manual 6 98 Introduction 1 2 Contact in case of problems The MICRESS site can be visited at www micress de It has lots of up to date information and provides links to the MICRESS user forum and the MICRESS hotline web page for which you should have been issued a user ID and password
113. steps R C Image of the curve s for the current time step R D Images of the curve s for all time steps R S Image of the curves for all time steps R M Image of the curves for a selection of time steps R F Front Tracking text output R F Front Tracking curve output R P Scan point text output R Q Scan point position output R R Scan point curve output MICRESS user s manual 54 98 Post processing Data information W M Measure distance W C Print coordinates and field value s for a point WHA Measure angle W H Measure angle with the horizontal W V Measure angle with the vertical W t E Print average and extrema from the current display W D Compare two files for the current time step W F Compare two files for all time steps W P Pin point cell pointer Wl Print information about MICRESS version W G Print information about the geometry Remove output Remove current time step from output file s Help Display the summary of available options Exit Exit MICRESS user s manual 55 98 Post processing 7 3 Libraries used by MICRESS and Display_MICRESS Copyright notice of libraries used by MICRESS and Display MICRESS 7 3 1 Copyright notice of zlib MICRESS and Display_MICRESS zlib h interface of the zlib general purpose compression library version 1 1 3
114. sume no liability for direct indirect incidental special exemplary or consequential damages which may result from the use of the PNG Reference Library even if advised of the possibility of such damage Permission is hereby granted to use copy modify and distribute this source code or portions hereof for any purpose without fee subject to the following restrictions 1 The origin of this source code must not be misrepresented 2 Altered versions must be plainly marked as such and must not be misrepresented as being the original source 3 This Copyright notice may not be removed or altered from any source or altered source distribution The Contributing Authors and Group 42 Inc specifically permit without fee and encourage the use of this source code as a component to supporting the PNG file format in commercial products If you use this source code in a product acknowledgment is not required but would be appreciated MICRESS user s manual 59 98 Installing MICRESS under Windows 8 Installing MICRESS 8 1 Installing MICRESS under Windows MICRESS and DP_MICRESS require very little installation work which should anyway be handled by the installation script but some users might be interested in performing these tasks themselves for example when installing without administrator privileges or simply knowing what s been performed on their behalf 8 1 1 Overview The following topics are goin
115. t end or not All operations can be called by hot keys which are not case dependent e g key f and key F are considered to be identical Keyboard input Apart from the alphanumeric characters the following keys are also available Escape erases the current input and Tab validate the current input and go the next if any UNIX and Linux environment The DP MICRESS interfaces can be called with g flag it is possible to call it with only this flag then an interface to create the command line is displayed or with a complete command line in which case only the run time interface is called MS Windows Double clicking a MICRESS result file will start Display_MICRESS with the default settings otherwise a geoF file should be double clicked to display various files at the same time or call Transfer_MICRESS for example Please see Installing Display_MICRESS under Windows Typographical conventions Keys to be pressed will be printed in italics bold example N means press key N either lower or upper case The combination of keys D and E pressing key D then key E will be represented by D E For an improved readability the corresponding operation will be printed in underlined italics Known issues When using the graphical user interface not exiting nicely i e with the EX T button can lead to complications please avoid it MICRESS user s manual 44 98 Post processing 7 2 3 Time step o
116. th dg_dependent constant after the input Kinetic coefficient mu between phases LIQUID and 1 cm 4 Js 4 00000E 03 Is interaction isotropic The averaging factor with the Options isotropic anisotropic anisotropic keyword avg this is a value static anisotropy coefficient lt 1 changed f 0 3000000 between 0 no averaging and 1 kinetic anisotropy coefficient lt 1 average to the infinite with 0 5 aie for averaging over the interface s length This feature is only activated if the averaging of the driving force along the normal to the interface has been enabled and is meant to help stabilising the interface Compatibility note this input has the same purpose as the previous averaging length but a different averaging length definition averaging factor e a interface thickness averaging length MICRESS user s manual 30 98 Driving files The directional averaging can be specified via the keyword smooth this enables averaging not only along the normal itself but also with some deviation which helps minimising the effects of the grid anisotropy Please note that directional averaging is enabled only when averaging along the normal to the interface is It can also be disabled by setting it to a negative value The maximal driving force allowed value above which the driving force will be cut off can be specified with the keyword max this is useful to shru
117. the driving file created by MICRESS which can be used to repeat the simulation This is obviously an ASCII file e jintffor tracking the interface when out_interface is not set to no_ e korn for the grains field when out_grains is not set to no_ e krum for the interface curvature when out_curvature is not set to no_ in um e logis the log file of simulation outputs in ASCII e millx milly and millz for the respective Miller indices when out_miller is not set to no_ e mueS for the local interface mobility when out_mobility is not set to no_ in cm Js e orie stores the grain orientation when out_orientation is not set to no_ in 2D in degrees e phas for the phases information when out_phases is not set to no_ e rest contains data necessary to restart a simulation when out_restart is not set to no_ this binary file is not meant for internal use by MICRESS and cannot be post processed e rex for the stored energy when out_recrystall is not set to no_ in Jicm e sxxCV sxyCV sxzCV syyCV syzCV and szzCV components of the stress tensor xxCV yyCV zzCV are the diagonal elements in the 2D 3D case sxyCV sxzCV syzCV are off diagonal terms torsion respectively when the stress coupling is activated and out_normal_stress is not set to no_ in MPa e TabC for the average and
118. tion of the seeds Options bulk region interface triple quadruple restrictive triple Phase of new grains 2 Reference phase 1 maximum number of new nuclei 1 250 Grain radius micrometers 0 0000 Choice of growth mode Options stabilisation analytical_curvature stabilisation min undercooling K gt 0 50 000 Shield effect Shield time s 20 000 Shield distance micrometers 2 5000 Nucleation range min nucleation temperature for seed type 1 K 1000 0 max nucleation temperature for seed type 1 K 1200 0 Time between checks for nucleation s 1E 1 Shall random noise be applied Options nucleation_noise no_nucleation_noise no_nucleation_noise Input for seed type 2 SSS SS SSS SS SS SS SS Se Type of position of the seeds Options bulk region interface triple quadruple restrictive interface Phase of new grains 2 Reference phase 1 Substrat phase for taking into account curvature undercooling set to 1 to disable 1 maximum number of new nuclei 2 500 Grain radius micrometers 0 0000 Choice of growth mode Options stabilisation analytical_curvature stabilisation min undercooling K gt 0 55 000 Shield effect Shield time s 20 000 Shield distance micrometers 2 5000 Nucleation range min nucleation temperature for seed type 2 K 1000 0 max nucleatio
119. tions which are selected simultaneously 7 2 5 Colour scale Various colour scales are available in Display MICRESS the default one being the standard Viso heat scale but a few others are also available They can be selected with C 1 11 for example C 1 sets the default Viso heat scale and C 2 a black and white one C L loops through the available colour scales To select double digit colour scale without graphical user interface press 0 C 0 1 0 will select the tenth colour scale The tenth and eleventh colour scales respectively called with C 9 and C 010 are adaptive in the sense that they have ranges of colors and or transition points whose position in the scale can be reset by the user according the isoline values The brightness and contrast can be fiddled with by pressing C F or reset with C R This fiddling feature is performed by resetting the brightness with the normalised x coordinate of the mouse cursor on the active image and the brightness with y coordinate s If a GUI device is used the user has to click to set the cursor s position after calling this feature The colour scale can also be inverted with C The minimum and maximum of the colour scale can be cut off i e respectively replaced with black and white with C C The current colour scale can also be reset in a stepwise fashion with C S It is possible to specify the number of step with C U user defined and to toggle on and off t
120. tropy of fusion between phase 1 and 2 real J cm 3 K 0 14900 Input of the concentrations at reference point Concentration of component 1 in phase 1 wt 0 32000E 02 dissolved concentration in phase 2 wt 0 15811E 03 Concentration of component 2 in phase 1 wt 0 17399 dissolved concentration in phase 2 wt 0 96288E 01 Input of the slopes at reference point Slope m_iPh dT dC_iPh relative to component 1 K wt 386 5673523 Slope m_jPh daT dC_jPh relative to component 1 K wt 8036 549805 Slope m_iPh dT dC_iPh relative to component 2 K wt 39 82677078 Slope m_jPh daT dC_jPh relative to component 2 K wt 73 34864807 Initial concentrations How shall initial concentrations be set Options input equilibrium from_file phase number equilibrium 1 Initial concentration of component 1 in phase 1 wt 20000E 03 Initial concentration of component 2 in phase 1 wt 17400 Parameters for latent heat and 1D temperature field Simulate release of latent heat Options lat_heat lat_heat_3d matrix phase no_lat_heat no_lat_heat Boundary conditions Type of temperature trend Options linear linear_from_file sinus linear Number of connecting points integer 0 Initial temperature at the bottom real K 1100 0000 Temperature gradient in z direction K cm 0 0000000 Cooling rate K s
121. ucleation no_out_nucleation Data for further nucleation no_nucleation Number of types of seeds 1 Input for seed type 1 Type of position of the seeds Options bulk region interface triple quadruple restrictive junctions Phase of new grains 2 Reference phase 1 maximum number of new nuclei 1 250 Grain radius micrometers 0 0000 Choice of growth mode Options stabilisation analytical_ curvature stabilisation min undercooling K gt 0 50 000 Shield effect Shield time s 20 000 Shield distance micrometers 2 5000 Nucleation range min nucleation temperature for seed type 1 1000 0 max nucleation temperature for seed type 1 1200 0 Time between checks for nucleation s 1E 1 Max number of simultaneous nucleations set to 0 for automatic 0 Shall metastable small seeds be killed Options kill_ metastable no_kill_ metastable no_kill_ metastable For the sake of brevity only the seed_undercooling case will be described here MICRESS user s manual 27 98 Driving files In the case of nucleation at an interface a substrate phase can be specified to take into account the curvature undercooling this option can be disabled by specifying the reference phase as a substrate phase Then the maximum number of these seeds MICRESS on screen output has to be specified please note that this total might not be r
122. ucleation to disable further nucleation If so the following inputs are skipped as they are not relevant The first of these parameters is a flag causing an additional output to be written out when nuclei are set or a phase disappears The next input is the number of type of seeds For each of these types of seeds their position namely bulk region interface junction higher order junction or quadruple has to be additional specified Unless the keyword restrictive is specified triple junctions are considered to be also part of the binary interfaces and the interfaces are also treated as pertaining to the bulk If a nucleation region is requested the user should then define it by its coordinates in micrometers Then the phase of the seeds and the matrix phase for nucleation have to be specified If the seeds are to be set in the bulk or in a region the user also has to specify which nucleation model has to be used seed_undercooling i e a new grain is set as soon as a critical undercooling is reached or seed_density which is more suitable when a_ heterogeneous nucleation situation is considered The former is used by default for nucleation at the interfaces and higher order junctions Data for further nucleation Enable further nucleation Options nucleation nucleation Additional output for nucleation Options out_nucleation no_out_n
123. ull multicomponent diffusion with coupling to Thermo Calc on an industrial steel The first is one dimensional and provides a ready benchmark against DICTRA The work summarised hereafter was supported by the European Community through the VESPISM project contract G5RD CT 2000 00315 The following material marked Thermo Calc is courtesy of Thermo Calc Software AB www thermocalc com and the material marked Corus is courtesy of Corus Group plc Swinden Technology Centre www corusqroup com 9 5 1 Initial observation These simulations stem from the observation of micro segregation profiles at the Swinden Technology Centre of Corus which show an unusually clear case of phosphorus peak drift The investigation of this process was performed by Thermo Calc Software AB using DICTRA The simulation could later be repeated with MICRESS both in 1D and 2D 1540 4 4 4 4 1 1520 Liquid 15004 aora 14804 o mmm 55 9 5 3 Temperature 2 A 01 02 03 04 05 06 ino f a agti j TS p sol Carbon Quc stion W hy does the I peak drift away from the Mn and Si AN peaks JAN g NI 3 Thermo Calc Software www thermocalc com Courtesy of Thermo Calc Software AB Courtesy of Corus MICRESS user s manual 68 98 Standard examples 9 5 2 Simulation set up Bee LY F w Secondary dendrite arm spacing assumed to be 200 um A menoa Software www thermocalc com Co
124. urtesy of Thermo Calc Software AB 9 5 3 T 1660 K after the last liquid disappears Virtual EDX D Normalized fraction normalised concentration at 0 20 40 60 80 100 Distance microns distance um Simulated with DICTRA Simulated with MICRESS Courtesy of Thermo Calc Software AB MICRESS user s manual 69 98 Standard examples 9 5 4 T 1580 K 20 Virtual EDX 1 8 T 5 c 1 6 c 2 2 5 w 1 4 8 8 N Cc 12 O E 7 5 210 2 g 0 8 a z fa _ 06 CD 0 20 40 60 80 100 0 20 40 60 80 100 Distance microns distance um ei auisisawdthDIGTRAt Simulated with MICRESS Courtesy of Thermo Calc Software AB 9 5 5 2D T 1365 K A 9 6 Recrystallisation N gt normalised field value s 0 50 100 150 200 250 300 distance ym These five examples ReX_1_dri ReX_2_dri ReX_3_dri ReX_4 dri and ReX_5 dri illustrate various topics related to recrystallisation such as the influence of misorientation and stored energy on growth nucleation and sub grain model MICRESS user s manual 70 98 Standard examples 9 7 Strees Stress_dri shows the simulation of Eshelby s solution 9 8 Basic TQ coupling Two examples TQ _Ripening_dri and TQ_Eutectic_dri illustrate the basics of the Thermo Calc coupling via its TQ interface The simulate phase transformations in an aluminium silv
125. v_force no_out_driv_force out_driv_force Interface mobility output Options out_mobility no_out_mobility Curvature output Options out_curvature no_out_curvature Interface velocity output Options out_velocity no_out_velocity Should the grain time file be written out no_tab_grains Options tab_grains tab_ grains mueS no_out_mobility krum no_out_curvature vel no_out_velocity TabK extra standard Should the von Neumann Mullins output be written out TabN Options tab_vnm no_tab_vnm no_tab_vnm Should the grain data output be written out TabGD Options tab_grain_data no_tab_grain_data Temperature output Options out_temp no_out_temp Concentration output Options out_conc out_conc Concentration of reference phase output no_out_temp no_out_conc no_tab_grain_data temp conc list of comp cPha Options out_conc_phase no_out_conc_phase phase nb I of c no_out_conc_phase Average concentration per phase and extrema TabC Options tab_conc no_tab_conc no_tab_conc stress to the driving force for stress_coupled simulations and out_dG_stress is not set to no_ in J cm MICRESS user s manual 19 98 Driving files e dTLat for the intermediate data relative to the release of latent heat when the concentration cou
126. ver time the grain perimeter surface in 3D as well as its number of neighbours and the list of its neighbours This data can readily be used to evaluate grain size distribution or other user defined plots MICRESS user s manual 8 98 What s new 2 6 Compressed results MICRESS can now write compressed results the gains depend on the type of output and the simulation but fields which have a constant value over the bulk of a grain phas intf get compressed down to a few percent of their original size for the others outputs apart from a few oddities a gain of at least one third can be expected The results of the distribution examples were reduced down to a quarter of their original size 2 7 Messages The messages are now embedded in the executable making sure the set corresponding to the current executable is used and freeing the user of this external dependency 2 8 CygWin For the Windows users wishing to observe DP_MICRESS in its natural habitat a CygWin cf www cygwin com version is now available as a technology preview MICRESS user s manual 9 98 Installation 3 Installation Within this chapter you will find the minimal system requirements for which operation of MICRESS is approved Section 3 2 contains information about the files being part of your MICRESS release Section 3 3 describes the installation procedure 3 1 System requirements The operation of the cur
127. ward not time consuming and It works The grain growth standard examples provide an example of how such data can be then read by MICRESS Please also see the corresponding section in the description of the contents of a driving file Read initial microstructure from a file MICRESS user s manual of Grain_Boundaries_01 png 0 0 RGB 50 pu 154 Grain_Boundaries_01 png 0 0 RGB i 76 98 Fully Answered Questions 10 3 2 Knocking a pgm file in shape The step 6 switching to a 1 Bit palette is slightly undone when saving as PGM which stands for Portable Gray Map as it is then exported as a level of greys map Furthermore somewhat outdated versions of Gimp i e less than 2 0 actually saved PGMs with 3 RGB channels requiring a script such as PGM_to_MICRESS available on request to revert to the single value per pixel expected by MICRESS newer versions of Gimp do save PGM as level of greys therefore only requiring the header to be removed to make it a suitable input for MICRESS The first four lines of the output of an older GIMP The same for a newer GIMP P3 P2 CREATOR The GIMP s PNM Filter Version 1 0 CREATOR The GIMP s PNM Filter Version 1 0 500 400 500 400 255 255 255 255 The key point is the first line P2 can simply be edited by hand the header i e the first four lines can merely be deleted by hand with a text editor wher
128. yered http www astro caltech edu tip pgplot Common scripting language its Tk module provides most GUI features of Display MICRESS For the ease of installation it is packed as standalone binary with PAR see respectively www perl org www ni s u net com and par perl org Format for image output of DP_MICRESS these operations are handled by the PNG library PNG format is similar to G F and widely supported by recent software it has the distinctive advantage of being open source and actually happens to be more efficient than GIF www libpng org Tool to convert MICRESS results files bundled with DP_MICRESS Compression library used for de compressing files in MICRESS and DP_MICRESS as well as for writing PNG images from Display_MICRESS www zlib net 78 98 Appendix 11 2 Reference list Please note that an up to date list of publications including links to some of the publications themselves can be found at www micress de 1 2 3 4 5 6 7 8 9 A__phase field concept for multiphase systems l Steinbach F Pezzola B Nestler M See elberg R Prieler G J Schmitz J L L Rezende In Physica D 1996 pp 135 147 The multiphase field model with an integrated concept for modelling solute diffusion J Tiaden B Nestler H J Diepers Steinbach In Physica D 1998 pp 73 86 Direct numerical simulation of solidification structure using t

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