# # # # Automatic 'Driving File' written out by MICRESS. # # MICRESS binary # ============== # version number: 7.003 (Windows) # compiled: 07/08/2020 # compiler version: Intel 1800 20180823 # executable architecture: x64 # Thermo-Calc coupling: enabled # Version: 21 # Link Date: Mon Jan 14 09:51:04 2019 # OS Name: WinNT # Build Date: 18718 # Compiler: Intel(R) Visual Fortran Compiler Version 16.0.4.246 Build 20160811 # OpenMP: enabled # ('double precision' binary) # # # Language # ======== # Please select a language: 'English', 'Deutsch' or 'Francais' English # # # Output Location # =============== # Options: [ / ] # The default result directory is the driving file location. C:\MICRESS_7.003\Results\PearliteDiss_TQpear_1Cs-1_Portion1_red2 # Overwrite files with the same name? # Options: overwrite write_protected append # [zipped|not_zipped|vtk] # [unix|windows|non_native] overwrite # # # Restart # ======= # Restart using old results? # Options: new restart [reset_time | with_flow] new # # # Geometry # ======== # Grid size? # (for 2D calculations: CellsY=1, for 1D calculations: CellsX=1, CellsY=1) # Cells in X-direction (CellsX): 500 # Cells in Y-direction (CellsY): 1 # Cells in Z-direction (CellsZ): 500 # Cell dimension (grid spacing in micrometers): # (optionally followed by rescaling factor for the output in the form of '3/4') 0.005 # # # Model # ===== # Type of coupling? # Options: phase concentration [volume_change] temperature temp_cyl_coord # [stress{U|CE|MC}{1|2|3}] [flow] [flow_coarse] [dislocation] concentration # Thermal Conditions # Options: no_lat_heat no_lat_heat_dsc lat_heat 1d_temp [kin. Coeff.] # kin. Coeff: Kinetics of latent heat release (default is 0.01) no_lat_heat # # # Boundary Conditions # =================== # Boundary conditions for phase field in each direction # Options: i (insulation) s (symmetric) p (periodic/wrap-around) # g (gradient) f (fixed) w (wetting) # Sequence: W E (S N, if 3D) B T borders # (X: West-East, Y:South-North, Z:Bottom-Top) ssss # # Boundary conditions for concentration field in each direction # Options: i (insulation) s (symmetric) p (periodic/wrap-around) g (gradient) f (fixed) # Sequence: W E (S N, if 3D) B T borders ssss # # Unit-cell model symmetric with respect to the x/y diagonal plane? # Options: unit_cell_symm no_unit_cell_symm no_unit_cell_symm # # # Database # ======== # Is a thermodynamic database to be used? # Options: database database_verbose database_consistent no_database database C:\MICRESS_7.003\GES_file\FeCMn # Which global relinearisation interval shall be used? # Options: manual from_file none manual # Relinearisation interval [s] 1.0000 # Reading GES5 workspace ... # # # Components # ========== # Type of concentration? # Options: atom_percent (at%) # weight_percent (wt%) weight_percent # # The database contains the following components: # 1: C # 2: FE # 3: MN # # A component can be specified by an element symbol, # user defined name or database index. # 'end_of_components' will finish the components input. # Component 0 (main component) ? 2 # FE identified # Component 1 ? 1 # C identified # Component 2 ? 3 # MN identified # Component 3 ? end_of_components # # MICRESS component indexing # 0 -> FE (database) # 1 -> C (database) # 2 -> MN (database) # # # Phases # ====== # # Selection of Phases # ------------------- # The database contains 3 phases: # 1: BCC_A2 # 2: CEMENTITE # 3: FCC_A1 # # A phase can be specified by the name or index used in the database # or by a user defined name. # 'end_of_phases' will finish the phase data input. # # Name or database index of phase 0 (matrix phase) liquid # Name or database index of phase 1 3 # FCC_A1 identified # Name or database index of phase 2 1 # BCC_A2 identified # Name or database index of phase 3 2 # CEMENTITE identified # Name or database index of phase 4 end_of_phases # # MICRESS phase indexing # 0 -> LIQUID # 1 -> FCC_A1 (database) # 2 -> BCC_A2 (database) # 3 -> CEMENTITE (database) # # Input/Output Format for Orientations # ------------------------------------ # How shall grain orientations be defined? # Options: angle_2d euler_zxz angle_axis miller_indices quaternion angle_2d # # # Phase Properties # ---------------- # # Phase 0 ( LIQUID ) # ------------------ # Type of molar volume input ? # Options: constant [temp_extrapol] [conc_extrapol] constant # Value of molar volume ? ([cm**3/mol]) 10.0 # # Phase 1 ( FCC_A1 ) # ------------------ # Simulation of recrystallisation in phase 1 (FCC_A1) ? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 1 (FCC_A1) anisotropic ? # Optionen: isotropic anisotropic faceted_a faceted_b faceted[_c] antifaceted anisotropic # Crystal symmetry of phase 1 (FCC_A1) ? # Options: none cubic hexagonal tetragonal orthorhombic tetragonal # Should grains of phase 1 (FCC_A1) be reduced to categories? # Options: categorize no_categorize no_categorize # Type of molar volume input ? # Options: constant database [temp_extrapol] [conc_extrapol] constant # Value of molar volume ? ([cm**3/mol]) 7.1824 # # Phase 2 ( BCC_A2 ) # ------------------ # [identical phase number] # Simulation of recrystallisation in phase 2 (BCC_A2) ? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 2 (BCC_A2) anisotropic ? # Optionen: isotropic anisotropic faceted_a faceted_b faceted[_c] antifaceted anisotropic # Crystal symmetry of phase 2 (BCC_A2) ? # Options: none cubic hexagonal tetragonal orthorhombic cubic # Should grains of phase 2 (BCC_A2) be reduced to categories? # Options: categorize no_categorize no_categorize # Type of molar volume input ? # Options: constant database [temp_extrapol] [conc_extrapol] constant # Value of molar volume ? ([cm**3/mol]) 7.2757 # # Phase 3 ( CEMENTITE ) # --------------------- # [identical phase number] # Simulation of recrystallisation in phase 3 (CEMENTITE) ? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 3 (CEMENTITE) anisotropic ? # Optionen: isotropic anisotropic faceted_a faceted_b faceted[_c] antifaceted isotropic # Should grains of phase 3 (CEMENTITE) be reduced to categories? # Options: categorize no_categorize no_categorize # Type of molar volume input ? # Options: constant database [temp_extrapol] [conc_extrapol] constant # Value of molar volume ? ([cm**3/mol]) 7.63 # # # # Phase Interactions # ================== # Start legacy mode by entering keyword 'phase_interaction' or 'no_phase_interaction'. # Start terse mode with 2 phase IDs and keyword 'phase_interaction' in one line. # Finish terse mode input with 'end_phase_interactions'. # # 0 (LIQUID) / 1 (FCC_A1) # ------------------------- # Simulation of interaction between 0 (LIQUID) and 1 (FCC_A1) ? # Options: phase_interaction no_phase_interaction # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] no_phase_interaction # # 0 (LIQUID) / 2 (BCC_A2) # ------------------------- # Simulation of interaction between 0 (LIQUID) and 2 (BCC_A2) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] no_phase_interaction # # 0 (LIQUID) / 3 (CEMENTITE) # ---------------------------- # Simulation of interaction between 0 (LIQUID) and 3 (CEMENTITE) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] no_phase_interaction # # 1 (FCC_A1) / 1 (FCC_A1) # ------------------------- # Simulation of interaction between 1 (FCC_A1) and 1 (FCC_A1) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] phase_interaction # Type of interfacial energy definition between 1 (FCC_A1) and 1 (FCC_A1) ? # Options: constant temp_dependent constant # Interfacial energy between 1 (FCC_A1) and 1 (FCC_A1) ? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 7.60000E-05 # Type of mobility definition between FCC_A1 and FCC_A1? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between FCC_A1 and FCC_A1 [cm**4/(Js)] ? 5.000000E-8 # Shall misorientation be considered? # Options: misorientation no_misorientation # [low_angle_limit (degrees)] default:15 [special_orient (nb)] no_misorientation # # 1 (FCC_A1) / 2 (BCC_A2) # ------------------------- # Simulation of interaction between 1 (FCC_A1) and 2 (BCC_A2) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] phase_interaction redistribution_control # 'DeltaG' options: default # avg ...[] max ...[J/cm^3] smooth ...[Deg] noise ...[J/cm^3] offset ...[J/cm^3] avg 0.5 max 100 # I.e.: avg +0.50 smooth +0.0 max +1.00000E+02 # Type of interfacial energy definition between 1 (FCC_A1) and 2 (BCC_A2) ? # Options: constant temp_dependent constant # Interfacial energy between 1 (FCC_A1) and 2 (BCC_A2) ? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 1.000E-05 1.000E-04 # Type of mobility definition between FCC_A1 and BCC_A2? # Options: constant temp_dependent dg_dependent [fixed_minimum] temp_dependent # File for kinetic coefficient between FCC_A1 and BCC_A2? [cm**4/(Js)] C:\MICRESS_7.003\Mobility\M03.5e-6Q140.txt # Shall misorientation be considered? # Options: misorientation no_misorientation # [low_angle_limit (degrees)] default:15 [special_orient (nb)] no_misorientation # Is interaction isotropic? # Options: isotropic # anisotropic [junction_force] [harmonic_expansion] isotropic # Which phase diagram is to be used? # Options: database [local|global[F]|globalG[F]] [start_value_{1|2}] # linear linearTQ database global # Relinearisation interval for interface FCC_A1 / BCC_A2 # Options: automatic manual from_file none none # Please specify the redistribution behaviour of each component: # Format: forward [backward] # Options: nple para paratq normal [mob_corr] atc [mob_corr] [verbose] # Component C: normal # Component MN: nple # # 1 (FCC_A1) / 3 (CEMENTITE) # ---------------------------- # Simulation of interaction between 1 (FCC_A1) and 3 (CEMENTITE) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] phase_interaction redistribution_control # 'DeltaG' options: default # avg ...[] max ...[J/cm^3] smooth ...[Deg] noise ...[J/cm^3] offset ...[J/cm^3] avg 1. max 100. # I.e.: avg +1.00 smooth +0.0 max +1.00000E+02 # Type of interfacial energy definition between 1 (FCC_A1) and 3 (CEMENTITE) ? # Options: constant temp_dependent constant # Interfacial energy between 1 (FCC_A1) and 3 (CEMENTITE) ? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 7e-6 2e-5 # Type of mobility definition between FCC_A1 and CEMENTITE? # Options: constant temp_dependent dg_dependent [fixed_minimum] temp_dependent # File for kinetic coefficient between FCC_A1 and CEMENTITE? [cm**4/(Js)] C:\MICRESS_7.003\Mobility\M03.5e-6Q140.txt # Is interaction isotropic? # Options: isotropic # anisotropic [junction_force] [harmonic_expansion] isotropic # Which phase diagram is to be used? # Options: database [local|global[F]|globalG[F]] [start_value_{1|2}] # linear linearTQ database global # Relinearisation interval for interface FCC_A1 / CEMENTITE # Options: automatic manual from_file none none # Please specify the redistribution behaviour of each component: # Format: forward [backward] # Options: nple para paratq normal [mob_corr] atc [mob_corr] [verbose] # Component C: normal # Component MN: nple # # 2 (BCC_A2) / 2 (BCC_A2) # ------------------------- # Simulation of interaction between 2 (BCC_A2) and 2 (BCC_A2) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] phase_interaction # Type of interfacial energy definition between 2 (BCC_A2) and 2 (BCC_A2) ? # Options: constant temp_dependent constant # Interfacial energy between 2 (BCC_A2) and 2 (BCC_A2) ? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 7.20000E-05 # Type of mobility definition between BCC_A2 and BCC_A2? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between BCC_A2 and BCC_A2 [cm**4/(Js)] ? 5.000000E-8 # Shall misorientation be considered? # Options: misorientation no_misorientation # [low_angle_limit (degrees)] default:15 [special_orient (nb)] no_misorientation # # 2 (BCC_A2) / 3 (CEMENTITE) # ---------------------------- # Simulation of interaction between 2 (BCC_A2) and 3 (CEMENTITE) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] phase_interaction # 'DeltaG' options: default # avg ...[] max ...[J/cm^3] smooth ...[Deg] noise ...[J/cm^3] offset ...[J/cm^3] avg 1. max 100. # I.e.: avg +1.00 smooth +0.0 max +1.00000E+02 # Type of interfacial energy definition between 2 (BCC_A2) and 3 (CEMENTITE) ? # Options: constant temp_dependent constant # Interfacial energy between 2 (BCC_A2) and 3 (CEMENTITE) ? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 1.000E-05 1.000E-04 # Type of mobility definition between BCC_A2 and CEMENTITE? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between BCC_A2 and CEMENTITE [cm**4/(Js)] ? 0.50000E-06 # Is interaction isotropic? # Options: isotropic # anisotropic [junction_force] [harmonic_expansion] isotropic # Which phase diagram is to be used? # Options: database [local|global[F]|globalG[F]] [start_value_{1|2}] # linear linearTQ database global # Relinearisation interval for interface BCC_A2 / CEMENTITE # Options: automatic manual from_file none none # # 3 (CEMENTITE) / 3 (CEMENTITE) # ------------------------------- # Simulation of interaction between 3 (CEMENTITE) and 3 (CEMENTITE) ? # Options: phase_interaction no_phase_interaction identical phases nb # [ standard | particle_pinning[_temperature] | solute_drag ] # | [ redistribution_control ] or [ no_junction_force | junction_force ] no_phase_interaction # Please specify a criterion for the choice # of the direction of the redistribution model: # Options: local_velocity average_velocity bottom_temperature average_velocity # # # Diffusion # ========= # ["Terse Mode": Each line starts with component number and phase number] # Options: diagonal|diagonal_dilute [x] multi|multi_plus [y(1..k)] # x: one of the characters "n", "d", "g", "l", "z", "i", "I", or "f" # y: chain of "n", "d", "g", "l", "z", or "f" (for each component) # default: "g" resp. "gggg..." # Rem: "n":no diffusion, "d": input, "f": T-dep. from file # "i":infinite, "I": infinite in each grain # from database: "g": global, "l": local, "z" global z-segmented # Extra line option: [+b] for grain-boundary diffusion # Extra line option (prefactor on time step): cushion <0-1> # Extra line option: infinite_limit_[d|t] (in cm**2/s|K) # Extra line option: maxfactor_local [real > 1.0] (default: 10.0) # Extra line option: factor [real > 0.] # Extra line option: dilute [real >= 0.] (default:1.0) # Finish input of diffusion data with 'end_diffusion_data'. # # How shall diffusion of component C in phase LIQUID be solved? diagonal n # How shall diffusion of component C in phase FCC_A1 be solved? diagonal g # How shall diffusion of component C in phase BCC_A2 be solved? diagonal g # How shall diffusion of component C in phase CEMENTITE be solved? diagonal n # How shall diffusion of component MN in phase LIQUID be solved? diagonal n # How shall diffusion of component MN in phase FCC_A1 be solved? diagonal g # How shall diffusion of component MN in phase BCC_A2 be solved? diagonal g # How shall diffusion of component MN in phase CEMENTITE be solved? diagonal n # # How shall the interval for updating diffusion coefficients # data be set? # Options: constant from_file constant # Interval for updating diffusion coefficients data? [s] 5.0000 # # # Initial Microstructure # ====================== # Type of grain positioning? # Options: deterministic random [deterministic_infile] from_file from_file # Filename of initial grain/phase structure [VTK_identifier (default=korn)] ? C:\MICRESS_7.003\Korn\pearlite_micro\micro_from_pgm_1_red1.txt # Treatment of data? # (n: none, 1: 1D, f: flip (bottom<->top), t: transpose, # or p: 'phase to grains transformation') n # CellsX for initial microstructure? 500 # CellsZ for initial microstructure? 500 # Number of grains at the beginning? # (Set to less than 1 for the number of grain to be read from the input data, # with optionally a minimal size, in cells) 89 # Read grain properties from a file? # Options: input from_file identical blocks input # # Grain number 1 # -------------- # Phase number? (integer) 2 # Rotation angle? [Degree] 86.000 # # Grain number 2 # -------------- # Phase number? (integer) 2 # Rotation angle? [Degree] 66.000 # # Grain number 3 # -------------- # Phase number? (integer) 2 # Rotation angle? [Degree] 78.000 # # Grain number 4 # -------------- # Phase number? (integer) 2 # Rotation angle? [Degree] 13.000 # # Grain number 5 # -------------- # Phase number? (integer) 2 # Rotation angle? [Degree] 47.000 # # Grain number 6 # -------------- # Phase number? (integer) 3 # # Grain number 7 # -------------- # Phase number? (integer) 3 # # Grain number 8 # -------------- # Phase number? (integer) 3 # # Grain number 9 # -------------- # Phase number? (integer) 3 # # Grain number 10 # --------------- # Phase number? (integer) 3 # # Grain number 11 # --------------- # Phase number? (integer) 3 # # Grain number 12 # --------------- # Phase number? (integer) 3 # # Grain number 13 # --------------- # Phase number? (integer) 3 # # Grain number 14 # --------------- # Phase number? (integer) 3 # # Grain number 15 # --------------- # Phase number? (integer) 3 # # Grain number 16 # --------------- # Phase number? (integer) 3 # # Grain number 17 # --------------- # Phase number? (integer) 3 # # Grain number 18 # --------------- # Phase number? (integer) 3 # # Grain number 19 # --------------- # Phase number? (integer) 3 # # Grain number 20 # --------------- # Phase number? (integer) 3 # # Grain number 21 # --------------- # Phase number? (integer) 3 # # Grain number 22 # --------------- # Phase number? (integer) 3 # # Grain number 23 # --------------- # Phase number? (integer) 3 # # Grain number 24 # --------------- # Phase number? (integer) 3 # # Grain number 25 # --------------- # Phase number? (integer) 3 # # Grain number 26 # --------------- # Phase number? (integer) 3 # # Grain number 27 # --------------- # Phase number? (integer) 3 # # Grain number 28 # --------------- # Phase number? (integer) 3 # # Grain number 29 # --------------- # Phase number? (integer) 3 # # Grain number 30 # --------------- # Phase number? (integer) 3 # # Grain number 31 # --------------- # Phase number? (integer) 3 # # Grain number 32 # --------------- # Phase number? (integer) 3 # # Grain number 33 # --------------- # Phase number? (integer) 3 # # Grain number 34 # --------------- # Phase number? (integer) 3 # # Grain number 35 # --------------- # Phase number? (integer) 3 # # Grain number 36 # --------------- # Phase number? (integer) 3 # # Grain number 37 # --------------- # Phase number? (integer) 3 # # Grain number 38 # --------------- # Phase number? (integer) 3 # # Grain number 39 # --------------- # Phase number? (integer) 3 # # Grain number 40 # --------------- # Phase number? (integer) 3 # # Grain number 41 # --------------- # Phase number? (integer) 3 # # Grain number 42 # --------------- # Phase number? (integer) 3 # # Grain number 43 # --------------- # Phase number? (integer) 3 # # Grain number 44 # --------------- # Phase number? (integer) 3 # # Grain number 45 # --------------- # Phase number? (integer) 3 # # Grain number 46 # --------------- # Phase number? (integer) 3 # # Grain number 47 # --------------- # Phase number? (integer) 3 # # Grain number 48 # --------------- # Phase number? (integer) 3 # # Grain number 49 # --------------- # Phase number? (integer) 3 # # Grain number 50 # --------------- # Phase number? (integer) 3 # # Grain number 51 # --------------- # Phase number? (integer) 3 # # Grain number 52 # --------------- # Phase number? (integer) 3 # # Grain number 53 # --------------- # Phase number? (integer) 3 # # Grain number 54 # --------------- # Phase number? (integer) 3 # # Grain number 55 # --------------- # Phase number? (integer) 3 # # Grain number 56 # --------------- # Phase number? (integer) 3 # # Grain number 57 # --------------- # Phase number? (integer) 3 # # Grain number 58 # --------------- # Phase number? (integer) 3 # # Grain number 59 # --------------- # Phase number? (integer) 3 # # Grain number 60 # --------------- # Phase number? (integer) 3 # # Grain number 61 # --------------- # Phase number? (integer) 3 # # Grain number 62 # --------------- # Phase number? (integer) 3 # # Grain number 63 # --------------- # Phase number? (integer) 3 # # Grain number 64 # --------------- # Phase number? (integer) 3 # # Grain number 65 # --------------- # Phase number? (integer) 3 # # Grain number 66 # --------------- # Phase number? (integer) 3 # # Grain number 67 # --------------- # Phase number? (integer) 3 # # Grain number 68 # --------------- # Phase number? (integer) 3 # # Grain number 69 # --------------- # Phase number? (integer) 3 # # Grain number 70 # --------------- # Phase number? (integer) 3 # # Grain number 71 # --------------- # Phase number? (integer) 3 # # Grain number 72 # --------------- # Phase number? (integer) 3 # # Grain number 73 # --------------- # Phase number? (integer) 3 # # Grain number 74 # --------------- # Phase number? (integer) 3 # # Grain number 75 # --------------- # Phase number? (integer) 3 # # Grain number 76 # --------------- # Phase number? (integer) 3 # # Grain number 77 # --------------- # Phase number? (integer) 3 # # Grain number 78 # --------------- # Phase number? (integer) 3 # # Grain number 79 # --------------- # Phase number? (integer) 3 # # Grain number 80 # --------------- # Phase number? (integer) 3 # # Grain number 81 # --------------- # Phase number? (integer) 3 # # Grain number 82 # --------------- # Phase number? (integer) 3 # # Grain number 83 # --------------- # Phase number? (integer) 3 # # Grain number 84 # --------------- # Phase number? (integer) 3 # # Grain number 85 # --------------- # Phase number? (integer) 3 # # Grain number 86 # --------------- # Phase number? (integer) 3 # # Grain number 87 # --------------- # Phase number? (integer) 3 # # Grain number 88 # --------------- # Phase number? (integer) 3 # # Grain number 89 # --------------- # Phase number? (integer) 3 # # Structure from restart file # --------------------------- # Shall grain(s) be replaced by initial structure(s) from a restart file(s) ? # Options: restart_file | no_restart_file no_restart_file # # Initial Concentrations # ====================== # How shall initial concentrations be set? # Options: input equilibrium from_file [phase number] equilibrium 2 # Initial concentration of component 1 (C) in phase 2 (BCC_A2) ? [wt%] 1.20000E-02 # Initial concentration of component 2 (MN) in phase 2 (BCC_A2) ? [wt%] 0.76000 # Temperature at which the initial equilibrium # will be calculated? [K] 973.00 # # # Process Conditions # ================== # # Temperature # ----------- # Type of temperature trend? # Options: linear linear_from_file profiles_from_file linear # Number of connecting points? (integer) 0 # Initial temperature at the bottom? (real) [K] 1015.0 # Temperature gradient in z-direction? [K/cm] 0.0000 # Cooling rate? [K/s] 1.0000 # # 1D far field for solute diffusion # --------------------------------- # Enable one dimensional far field approximation for solute diffusion? # Options: 1d_far_field 1d_far_field_EW no_1d_far_field no_1d_far_field # # Moving frame # ------------ # Moving-frame system in z-direction? # Options: moving_frame no_moving_frame no_moving_frame # # # Nucleation # ========== # Enable further nucleation? # Options: nucleation nucleation_symm no_nucleation [verbose|no_verbose] nucleation verbose # Additional output for nucleation? # Options: out_nucleation no_out_nucleation out_nucleation # # Number of types of seeds? 1 # # Input for seed type 1: # ---------------------- # Type of 'position' of the seeds? # Options: bulk region interface triple quadruple front [restrictive] interface # Phase of new grains (integer) [unresolved|add_to_grain|split_from_grain]? 1 # Reference phase (integer) [min. and max. fraction (real)]? 2 0 1 # Substrate phase [2nd phase in interface]? # (set to 2 to disable the effect of substrate curvature) 2 3 # Maximum number of new nuclei of seed type 1? # (set negative for unlimited number) 10 # Grain radius [micrometers]? 2.00000E-02 # Choice of growth mode: # Options: stabilisation analytical_curvature analytical_curvature # Critical radius? [micrometers] 2.00000E-02 # min. undercooling [K] (>0)? 0.0000 # Determination of nuclei orientations? # Options: random randomZ fix range parent_relation parent_relation # Minimal value of rotation angle? [Degree] 10.000 # Maximal value of rotation angle? [Degree] 10.000 # Shield effect: # Shield time [s] [shield phase or group number] ? 10 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? 2 # Nucleation range # min. nucleation temperature for seed type 1 [K] 873.00 # max. nucleation temperature for seed type 1 [K] 1273.0 # Time between checks for nucleation? [s] # Options: constant from_file constant # Time interval [s] 2.00000E-02 # Shall random noise be applied? # Options: nucleation_noise no_nucleation_noise nucleation_noise # Factor for random noise? # (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT) 1.00000E-02 # # Seed for random-number generator initialisation # ----------------------------------------------- 777777777 # # 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 # # # Output # ====== # # Output times # ------------ # 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 # ('automatic_outputs' optionally followed by the number # of outputs can be used in conjuction with 'linear_from_file') # 'first' : additional output for first time-step # 'end_at_temperature' : additional output and end of simulation # at given temperature linear_step .01 .5 linear_step .05 1 linear_step .1 5 linear_step .5 10 linear_step 1 20 linear_step 5 50 linear_step 10 100 end_of_simulation # # Output files # ------------ # Selection of the outputs # [legacy|verbose|terse] # 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 out_grains # 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] out_fraction 1 2 # Average fraction table? ('TabF') # Options: tab_fractions no_tab_fractions [front_temp] [TabL_steps] 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 # Number of relinearisation output? ('numR') # Options: out_relin no_out_relin out_relin # Interface mobility output? ('mueS') # Options: out_mobility no_out_mobility out_mobility # Curvature output? ('krum') # Options: out_curvature no_out_curvature out_curvature # Interface velocity output? ('vel') # Options: out_velocity no_out_velocity out_velocity # Should the grain-time file be written out? ('TabK') # Options: tab_grains no_tab_grains [extra|standard] tab_grains # 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 tab_grain_data # Temperature output? ('temp') # Options: out_temp no_out_temp no_out_temp # Concentration output? ('conc') # Options: out_conc no_out_conc [component numbers] [atom_percent|weight_percent] [element_extensions] out_conc # Concentration of reference phase output? ('cPha') # Options: out_conc_phase no_out_conc_phase # phase 0 [component numbers (default = all)] | ... # ... | phase n [component numbers] [atom_percent|weight_percent] [element_extensions] out_conc_phase 3 # Output for phase: 3 Concentrations: All # Average concentration per phase (and extrema)? ('TabC') # Options: tab_conc no_tab_conc tab_conc # Recrystallisation energy output? ('rex') # Options: out_recrystall no_out_recrystall no_out_recrystall # Recrystallised fraction output? ('TabR') # Options: tab_recrystall no_tab_recrystall no_tab_recrystall # Dislocation density output? ('rhoD') # Options: out_disloc no_out_disloc no_out_disloc # Miller-Indices output? ('mill') # Options: out_miller no_out_miller no_out_miller # Orientation output? ('orie') # Options: out_orientation no_out_orientation out_orientation # Should the orientation-time file be written? ('TabO') # Options: tab_orientation no_tab_orientation [rotmat] no_tab_orientation # Linearisation output? ('TabLin') # Options: tab_lin no_tab_lin tab_lin # Should monitoring outputs be written out? ('TabL') # Options: tab_log [simulation time, s] [wallclock time, min] no_tab_log tab_log 0.25 # # # Numerical parameters # ==================== # # Phase field solver # ------------------ # Time-step ? # Options: fix ...[s] automatic automatic_limited automatic_limited # Options: constant from_file constant # Limits: (real) min./s, [max./s], [time step factor], [segregation factor] 2.E-7 1.E-2 #Coefficient for phase-field criterion 1.00 #Coefficient for segregation criterion 0.900 #Number of steps to adjust profiles of initially sharp interfaces [exclude_inactive]? 25 # Type of potential? # Options: double_obstacle multi_obstacle [no_fd_correction | fd_correction] # Recommended: multi_obstacle fd_correction multi_obstacle fd_correction # Phase minimum? 1.00E-06 # Interface thickness (in cells)? 3.0000 # 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 # # Concentration solver # -------------------- # Factor for diffusion time stepping? (0.0 < factor < 1.0) 0.95000 # # List of phases and components which are stoichiometric: # phase and component(s) numbers # List of concentration limits (at%): # , phase number and component number # List of penalty conditions: # , phase 1, phase2, component number # List for ternary extrapolation (2 elements + main comp.): # , component 1, component 2 # Switches: # List of relative criteria on phase composition # , phase No 1, phase No 2, component No # List of sublattice order conditions: # , phase , sublattice 1, sublattice 2 # List of source changes for diffusion data # , Phase-No., reference phase # Switch: Add composition sets for calculation of diffusion/volume/enthalpy data # , phase list # End with 'no_more_stoichio' or 'no_stoichio' diagonal stoich_enhanced_off no_stoichio # # # In phase CEMENTITE component C is really stoichiometric. # # # Parallel Execution # ------------------ # Number of parallel threads ? 8 # #