# # # # Automatic 'Driving File' written out by MICRESS. # # MICRESS binary # ============== # version number: 6.400 (Linux) # compiled: 01/24/2018 # compiler version: Intel 1400 20140120 # executable architecture: x64 # Thermo-Calc coupling: enabled # Version: 19 # Link Date: 20-03-2017 12:28:00 # OS Name: Linux # Build Date: 10716 # Compiler: ifort (IFORT) 14.0.2 20140120 # OpenMP: enabled # shell: /bin/tcsh # ('double precision' binary) # # # Language settings # ================= # Please select a language: 'English', 'Deutsch' or 'Francais' English # # # Flags and settings # ================== # # Geometry # -------- # Grid size? # (for 2D calculations: CellsY=1, for 1D calculations: CellsX=1, CellsY=1) # Cells in X-direction (CellsX): 392 # Cells in Y-direction (CellsY): 1 # Cells in Z-direction (CellsZ): 129 # Cell dimension (grid spacing in micrometers): # (optionally followed by rescaling factor for the output in the form of '3/4') 0.075 # # Flags # ----- # Type of coupling? # Options: phase concentration [volume_change] temperature temp_cyl_coord # [stress] [stress_coupled] [flow] [flow_coarse] [dislocation] concentration # Type of potential? # Options: double_obstacle multi_obstacle [fd_correction] multi_obstacle fd_correction # Enable one dimensional far field approximation for diffusion? # Options: 1d_far_field 1d_far_field_EW no_1d_far_field no_1d_far_field # Shall an additional 1D field be defined in z direction # for temperature coupling? # Options: no_1d_temp 1d_temp 1d_temp_cylinder 1d_temp_polar [kin. Coeff] # kin. Coeff: Kinetics of latent heat release (default is 0.01) no_1d_temp # # Phase field data structure # -------------------------- # 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 # # # Restart options # =============== # Restart using old results? # Options: new restart [reset_time | structure_only] new # # # Name of output files # ==================== # Name of result files? Ferrit_Perlit/Initial_mhm # Overwrite files with the same name? # Options: overwrite write_protected append # [zipped|not_zipped|vtk] # [unix|windows|non_native] overwrite # # # 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 3 # 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 no_out_relin # Interface mobility output? ('mueS') # Options: out_mobility no_out_mobility out_mobility # Curvature output? ('krum') # Options: out_curvature no_out_curvature no_out_curvature # Interface velocity output? ('vel') # Options: out_velocity no_out_velocity no_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 no_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] [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] [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 # # # 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 # ('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 10 200 end_at_temperature 298 end_of_simulation # Time-step? # Options: fix ...[s] automatic automatic_limited automatic_limited # Options: constant from_file constant # Limits: (real) min./s, [max./s], [phase-field factor], [segregation factor] 1.E-4 10. # 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]? 10 # # # Phase data # ========== # Number of distinct solid phases? 3 # # Data for phase 1: # ----------------- # Simulation of recrystallisation in phase 1? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 1 anisotrop? # Options: isotropic anisotropic faceted_a faceted_b antifaceted isotropic # Should grains of phase 1 be reduced to categories? # Options: categorize no_categorize no_categorize # # Data for phase 2: # ----------------- # [identical phase number] # Simulation of recrystallisation in phase 2? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 2 anisotrop? # Options: isotropic anisotropic faceted_a faceted_b antifaceted isotropic # Should grains of phase 2 be reduced to categories? # Options: categorize no_categorize no_categorize # # Data for phase 3: # ----------------- # [identical phase number] # Simulation of recrystallisation in phase 3? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 3 anisotrop? # Options: isotropic anisotropic faceted_a faceted_b antifaceted anisotropic # Crystal symmetry of the phase? # Options: none cubic hexagonal tetragonal orthorhombic cubic # Should grains of phase 3 be reduced to categories? # Options: categorize no_categorize no_categorize # # Orientation # ----------- # How shall grain orientations be defined? # Options: angle_2d euler_zxz angle_axis miller_indices quaternion angle_2d # # # Grain input # =========== # Type of grain positioning? # Options: deterministic random [deterministic_infile] from_file from_file # Filename of initial grain/phase structure [VTK_identifier (default=korn)] ? Pearlite_ferrite.txt # Treatment of data? # # (n: none, 1: 1D, f: flip (bottom<->top), t: transpose, # or p: 'phase to grains transformation') p # CellsX for initial microstructure? 392 # CellsZ for initial microstructure? 129 # 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) -1 # Read grain properties from a file? # # Options: input from_file identical blocks blocks 1 2 2 2 3 2 4 2 5 1 19 1 # Data for further nucleation # =========================== # Enable further nucleation? # Options: nucleation nucleation_symm no_nucleation [verbose|no_verbose] nucleation # Additional output for nucleation? # Options: out_nucleation no_out_nucleation no_out_nucleation # # Number of types of seeds? #5 3 # # Input for seed type 1: # ---------------------- # Type of 'position' of the seeds? # Options: bulk region interface triple quadruple front [restrictive] triple # Phase of new grains (integer) [unresolved|add_to_grain]? 3 # Reference phase (integer) [min. and max. fraction (real)]? 1 # Substrate phase [2nd phase in interface]? 1 # maximum number of new nuclei 1? # (set negative for unlimited number) -1 # Grain radius [micrometers]? 0.00000 # Choice of growth mode: # Options: stabilisation analytical_curvature analytical_curvature # Critical radius? [micrometers] 1.00000 # min. undercooling [K] (>0)? 50.0000 # Shield effect: # Shield time [s] [shield phase or group number] ? 10 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? 1 # Nucleation range # min. nucleation temperature for seed type 1 [K] 0.000000 # max. nucleation temperature for seed type 1 [K] 1200.000 # Time between checks for nucleation? [s] # Options: constant from_file constant # Time interval [s] 0.25000 # Shall random noise be applied? # Options: nucleation_noise no_nucleation_noise no_nucleation_noise # # Input for seed type 2: # ---------------------- # Type of 'position' of the seeds? # Options: bulk region interface triple quadruple front [restrictive] interface # Phase of new grains (integer) [unresolved|add_to_grain]? #2 # Reference phase (integer) [min. and max. fraction (real)]? #1 # Substrate phase [2nd phase in interface]? # (set to 1 to disable the effect of substrate curvature) #1 # maximum number of new nuclei 2? # (set negative for unlimited number) #-1 # Grain radius [micrometers]? #0.00000 # Choice of growth mode: # Options: stabilisation analytical_curvature #stabilisation # min. undercooling [K] (>0)? #55.000 # Shield effect: # Shield time [s] [shield phase or group number] ? #20.000 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? #2.5000 # Nucleation range # min. nucleation temperature for seed type 2 [K] #0.000000 # max. nucleation temperature for seed type 2 [K] #1200.000 # Time between checks for nucleation? [s] # Options: constant from_file #constant # Time interval [s] #0.25000 # Shall random noise be applied? # Options: nucleation_noise no_nucleation_noise #no_nucleation_noise # # Input for seed type 3: # ---------------------- # Type of 'position' of the seeds? # Options: bulk region interface triple quadruple front [restrictive] bulk # Phase of new grains (integer) [unresolved|add_to_grain]? 2 # Reference phase (integer) [min. and max. fraction (real)]? 1 # Which nucleation model shall be used? # Options: seed_undercooling seed_density seed_undercooling # maximum number of new nuclei 3? # (set negative for unlimited number) -1 # Grain radius [micrometers]? 0.00000 # Choice of growth mode: # Options: stabilisation analytical_curvature analytical_curvature # Critical radius? [micrometers] 1.00000 # min. undercooling [K] (>0)? 10.000 # Shield effect: # Shield time [s] [shield phase or group number] ? 20 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? 2 # Nucleation range ## min. nucleation temperature for seed type 3 [K] 0.000000 # max. nucleation temperature for seed type 3 [K] 1200.000 # Time between checks for nucleation? [s] # Options: constant from_file constant # Time interval [s] 0.25000 # Shall random noise be applied? # Options: nucleation_noise no_nucleation_noise no_nucleation_noise # # Input for seed type 4: # ---------------------- # Type of 'position' of the seeds? # Options: bulk region interface triple quadruple front [restrictive] interface # Phase of new grains (integer) [unresolved|add_to_grain]? 3 unresolved # Microstructure size (radius) [micrometers]? # Options: constant temp_dependent constant # Value?? 0.1 # Reference phase (integer) [min. and max. fraction (real)]? 1 # Substrate phase [2nd phase in interface]? # (set to 1 to disable the effect of substrate curvature) 2 # maximum number of new nuclei 4? # (set negative for unlimited number) -1 # Grain radius [micrometers]? 0.00000 # Choice of growth mode: # Options: stabilisation analytical_curvature stabilisation # min. undercooling [K] (>0)? 50.000 # Determination of nuclei orientations? # Options: random randomZ fix range parent_relation random # Shield effect: # Shield time [s] [shield phase or group number] ? 1.0000 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? 2.5 # Nucleation range # min. nucleation temperature for seed type 4 [K] 0.000000 # max. nucleation temperature for seed type 4 [K] 1000.000 # Time between checks for nucleation? [s] # Options: constant from_file constant # Time interval [s] 1.0000 # Shall random noise be applied? # Options: nucleation_noise no_nucleation_noise no_nucleation_noise # # Input for seed type 5: # ---------------------- # Type of 'position' of the seeds? # Options: bulk region interface triple quadruple front [restrictive] #bulk # Phase of new grains (integer) [unresolved|add_to_grain]? #2 add_to_grain #parent_grain # Reference phase (integer) [min. and max. fraction (real)]? #1 # Which nucleation model shall be used? # Options: seed_density seed_undercooling #seed_undercooling # maximum number of new nuclei 1? # (set negative for unlimited number) #-1 # Grain radius [micrometers]? #0.00000 # Choice of growth mode: # Options: stabilisation analytical_curvature #analytical_curvature # Critical radius? [micrometers] #1.00000 # min. undercooling [K] (>0)? #5.0000 # Shield effect: # Shield time [s] [shield phase or group number] ? #1 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? #0.5 # Nucleation range # min. nucleation temperature for seed type 1 [K] #0.000000 # max. nucleation temperature for seed type 1 [K] #600 # Time between checks for nucleation? [s] # Options: constant from_file #constant # Time interval [s] #0.2 ## Shall random noise be applied? # Options: nucleation_noise no_nucleation_noise #no_nucleation_noise # # 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 # # # Phase interaction data # ====================== # # Data for phase interaction 0 / 1: # --------------------------------- # Simulation of interaction between phases 0 and 1? # Options: phase_interaction no_phase_interaction # [standard|particle_pinning[_temperature]|solute_drag] # | [redistribution_control] or [no_junction_force|junction_force] no_phase_interaction # # Data for phase interaction 0 / 2: # --------------------------------- # Simulation of interaction between phases 0 and 2? # 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 # # Data for phase interaction 0 / 3: # --------------------------------- # Simulation of interaction between phases 0 and 3? # 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 # # Data for phase interaction 1 / 1: # --------------------------------- # Simulation of interaction between phases 1 and 1? # 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 # Type of interfacial energy definition between phases 1 and 1? # Options: constant temp_dependent #constant # Interfacial energy between phases 1 and 1? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] #3.00000E-05 # Type of mobility definition between phases 1 and 1? # Options: constant temp_dependent dg_dependent [fixed_minimum] #constant # Kinetic coefficient mu between phases 1 and 1 [ min. value ] [cm**4/(Js)] ? #1.00000E-05 # # Data for phase interaction 1 / 2: # --------------------------------- # Simulation of interaction between phases 1 and 2? # 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 0.9 max 50. # I.e.: avg +0.90 smooth +0.0 max +5.00000E+01 # Type of interfacial energy definition between phases 1 and 2? # Options: constant temp_dependent constant # Interfacial energy between phases 1 and 2? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 2.00000E-05 # Type of mobility definition between phases 1 and 2? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between phases 1 and 2 [ min. value ] [cm**4/(Js)] ? 1.0 # # Data for phase interaction 1 / 3: # --------------------------------- # Simulation of interaction between phases 1 and 3? # 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 no_junction_force # 'DeltaG' options: default # avg ...[] max ...[J/cm^3] smooth ...[Deg] noise ...[J/cm^3] offset ...[J/cm^3] avg 0. max 500. # I.e.: avg +0.00 smooth +0.0 max +5.00000E+02 # Type of interfacial energy definition between phases 1 and 3? # Options: constant temp_dependent constant # Interfacial energy between phases 1 and 3? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 1.00000E-04 # Type of mobility definition between phases 1 and 3? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between phases 1 and 3 [ min. value ] [cm**4/(Js)] ? 2.00000E-8 # Is interaction isotropic? # Options: isotropic # anisotropic [junction_force] [harmonic_expansion] # aniso_special_orient [junction_force][harmonic_expansion] isotropic # # Data for phase interaction 2 / 2: # --------------------------------- # Simulation of interaction between phases 2 and 2? # 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 # Type of interfacial energy definition between phases 2 and 2? # Options: constant temp_dependent #constant # Interfacial energy between phases 2 and 2? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] #3.00000E-05 # Type of mobility definition between phases 2 and 2? # Options: constant temp_dependent dg_dependent [fixed_minimum] #constant # Kinetic coefficient mu between phases 2 and 2 [ min. value ] [cm**4/(Js)] ? #1.00000E-05 # # Data for phase interaction 2 / 3: # --------------------------------- # Simulation of interaction between phases 2 and 3? # 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 0. max 500. # I.e.: avg +0.00 smooth +0.0 max +5.00000E+02 # Type of interfacial energy definition between phases 2 and 3? # Options: constant temp_dependent constant # Interfacial energy between phases 2 and 3? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 1.00000E-04 # Type of mobility definition between phases 2 and 3? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between phases 2 and 3 [ min. value ] [cm**4/(Js)] ? 5.00000E-9 # Is interaction isotropic? # Options: isotropic # anisotropic [junction_force] [harmonic_expansion] # aniso_special_orient [junction_force][harmonic_expansion] isotropic # # Data for phase interaction 3 / 3: # --------------------------------- # Simulation of interaction between phases 3 and 3? # 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 # # # Concentration data # ================== # Number of dissolved constituents? (int) 2 # Type of concentration? # Options: atom_percent (at%) # weight_percent (wt%) weight_percent # # # Diffusion Data # -------------- # # ["Terse Mode": Each line starts with component number and phase number] # Options: diagonal [x] multi [y(1..k)] 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 [cm**2/s] # Extra line option: maxfactor_local [real > 1.0] (default: 10.0) # Extra line option: factor [real > 0.] # Finish input of diffusion data with 'end_diffusion_data'. # # How shall diffusion of component 1 in phase 1 be solved? 1 1 multi gg # How shall diffusion of component 2 in phase 1 be solved? 2 1 multi gg # How shall diffusion of component 1 in phase 2 be solved? 1 2 multi gg # How shall diffusion of component 2 in phase 2 be solved? 2 2 multi gg end_diffusion_data # # How shall the interval for updating diffusion coefficients # data be set? # Options: constant from_file constant # Interval for updating diffusion coefficients data? [s] 10.000 # # # # Phase diagram - input data # ========================== # # List of phases and components which are stoichiometric: # phase and component(s) numbers # List of concentration limits (at%): # , phase number and 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 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 3 1 2 no_stoichio # # In phase 3 components 1 and 2 are defined as stoichiometric. # # Is a thermodynamic database to be used? # Options: database database_verbose database_consistent no_database database GES_Files/FeCMn1 # # # # Which global relinearisation mode shall be used? # Options: manual from_file none manual 5 # Input of the phase diagram of phase 1 and phase 2: # -------------------------------------------------- # Which phase diagram is to be used? # Options: database [local|global[F]|globalG[F]] [start_value_{1|2}] # linear linearTQ database globalG # Relinearisation mode for interface 1 / 2 # 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 1: normal mob_corr 10. # Component 2: nple # Input of the phase diagram of phase 1 and phase 3: # -------------------------------------------------- # Which phase diagram is to be used? # Options: database [local|global[F]|globalG[F]] [start_value_{1|2}] # linear linearTQ database globalG # Relinearisation mode for interface 1 / 3 # Options: automatic manual from_file none none # Input of the phase diagram of phase 2 and phase 3: # -------------------------------------------------- # Which phase diagram is to be used? # Options: database [local|global[F]|globalG[F]] [start_value_{1|2}] # linear linearTQ database globalG # Relinearisation mode for interface 2 / 3 # Options: automatic manual from_file none none # Please specify a criterion for the choice # of the direction of the redistribution model: # Options: local_velocity average_velocity bottom_temperature bottom_temperature # Reading GES5 workspace ... # Index relations between TC and MICRESS # -------------------------------------- # The database contains the following components: # 1: C # 2: FE # 3: MN # Specify relation between component indices Micress -> TC! # The main component has in MICRESS the index 0 # # Thermo-Calc index of (MICRESS) component 0? 2 # Thermo-Calc index of (MICRESS) component 1? 1 # Thermo-Calc index of (MICRESS) component 2? 3 # 0 -> FE # 1 -> C # 2 -> MN # The database contains 4 phases: # 1: LIQUID # 2: BCC_A2 # 3: CEMENTITE # 4: FCC_A1 # Specify relation between phase indices Micress -> TC! # The matrix phase has in MICRESS the index 0 [ Liquid ('#'-->'$') ]? #1 # Thermo-Calc index of the (MICRESS) phase 1 [ FCC ('#'-->'$') ]? 4 # Thermo-Calc index of the (MICRESS) phase 2 [ BCC ('#'-->'$') ]? 2 # Thermo-Calc index of the (MICRESS) phase 3 [ Fe3C ('#'-->'$') ]? 3 # 1 -> FCC_A1 # 2 -> BCC_A2 # 3 -> CEMENTITE # In phase 3 component 1 is really stoichiometric. # # Molar volume of phase 1 (FCC_A1)? [cm**3/mol] # Options: manual database [temp_extrapol] [conc_extrapol] 7.1824 # Molar volume of phase 2 (BCC_A2)? [cm**3/mol] # Options: manual database [temp_extrapol] [conc_extrapol] 7.2757 # Molar volume of phase 3 (CEMENTITE)? [cm**3/mol] # Options: manual database [temp_extrapol] [conc_extrapol] 7.0000 # Temperature at which the initial equilibrium # will be calculated? [K] 1100.000 # # # Initial concentrations # ====================== # How shall initial concentrations be set? # Options: input equilibrium from_file [phase number] input # Initial concentration of component 1 in phase 0 ? [wt%] 0 # Initial concentration of component 1 in phase 1 ? [wt%] 1.5 # Initial concentration of component 1 in Phase 2 ? [wt%] 0.02 # Initial concentration of component 1 in Phase 3 ? [wt%] 6.8 # # Initial concentration of component 2 in phase 0 ? [wt%] 0.9 # Initial concentration of component 2 in phase 1 ? [wt%] 0.9 # Initial concentration of component 2 in Phase 2 ? [wt%] 0.9 # Initial concentration of component 2 in Phase 3 ? [wt%] 0.9 # # # 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_dsc no_lat_heat # # # Boundary conditions # =================== # 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] 1100.000 # Temperature gradient in z-direction? [K/cm] 0.0000 # Cooling rate? [K/s] -10.000 # 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) f (fixed) w (wetting) # Sequence: W E (S N, if 3D) B T borders iiii # # 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 iiii # Unit-cell model symmetric with respect to the x/y diagonal plane? # Options: unit_cell_symm no_unit_cell_symm no_unit_cell_symm # # # Other numerical parameters # ========================== # Phase minimum? 1.00E-05 # Interface thickness (in cells)? 3.00 # # # # Number of parallel threads? # =========================== 6 # Number of parallel threads: 6 # #