Flash heating
Posted: Sat Dec 19, 2020 8:47 am
Dear Brend,
I am a fresh user in the field of phase field modeling and MICRESS. I have a plan to simulate flash annealing treatment at heating rate of 100 K/s and for my material with chemical composition as Fe-0.2C-3.7Mn. actually, I want to simulate reversion treatment for solid transformation from fully cold rolled martensite to reverted austenite. so, I defined two phase: martensite (presumed as supper saturated ferrite) and austenite.
I have selected 5 grains for this simulation to see the changes in the Z direction (optionally), for this purpose I used a pre-file and I have changed the content as my work (like Gamma-Alpha (dri) friles). but I have severe problem in the running comes out from *grain input* section, I don't know what is the problem?....
Thermodynamic data and geometry of the grains adopted from previous literatures like Militzer's work ( https://doi.org/10.3139/146.110307 ).
I tried round, rectangular, elliptic and etc for shape of these grains but my problem still remains...I should say there is not any recrystallization in my work and I want to know only abut nucleation of austenite on martensitic matrix (I presume that as supersaturated ferrite) and covering that at high heating rate.
I would be appreciate if you help me to solve my problem.
here is the code:
#
# Automatic 'Driving File' written out by MICRESS.
#
#
#
# MICRESS binary
# ==============
# version number: 6.300 (Linux)
# compiled: 09/22/2016
# compiler version: Intel 1400 20140120
# executable architecture: x64
# Thermo-Calc coupling: enabled
# Version: 1E1
# Link Date: 16-12-2015 15:03:59
# OS Name: Linux
# Build Date:
# Compiler: ifort (IFORT) 14.0.2 20140120
# OpenMP: disabled
# 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):
250
# 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')
0.04
#
# Flags
# -----
# Type of coupling?
# Options: phase concentration 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]
0.01
#
#
# Restart options
# ===============
# Restart using old results?
# Options: new restart [reset_time | structure_only]
new
#
#
# Name of output files
# ====================
# Name of result files?
Results_ReX/ReX_random2
# 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]
# Finish selection of outputs with 'end_of_outputs'.
terse
out_restart
out_grains
out_phases
out_fraction 1 2
tab_fractions
out_interface
out_driv_force
tab_grains
out_conc
out_conc_phase 1 | 2
out_mobility
tab_lin
tab_log 1.
# out_relin
# out_curvature
# out_velocity
# tab_vnm
# tab_grain_data
# out_temp
# tab_conc
out_recrystall
# tab_recrystall
# out_disloc
# out_miller
out_orientation
# tab_orientation [rotmat]
end_of_outputs
#
#
# 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 0.1 2
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 1.0
# 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?
2
#
# Data for phase 1:
# -----------------
# Simulation of recrystallisation in phase 1?
# Options: recrystall no_recrystall [verbose|no_verbose]
no_recrystall
# Which recrystallisation model?
# Is phase 1 anisotrop?
# Options: isotropic anisotropic faceted antifaceted
anisotropic
# Crystal symmetry of the phase?
# Options: none cubic hexagonal tetragonal orthorhombic
cubic
# 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 antifaceted
isotropic
# Should grains of phase 2 be reduced to categories?
# Options: categorize no_categorize
no_categorize
#
#
# Orientation
# -----------------
# 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
deterministic
# number of grains at the beginning?
5
# ----------------------
# Geometry of grain type 1
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
3
6
# length of axis along x-axis? [micrometers]
6
# length of axis along z-axis? [micrometers]
12
# Should the Voronoi criterion for grains of type 1 be applied?
# Options: voronoi no_voronoi
no_voronoi
# Phase number for grain type 1? (int)
1
#
# Input for grain type 2
# ----------------------
# Geometry of grain type 2
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 2?
3
6
# length of axis along x-axis? [micrometers]
6
# length of axis along z-axis? [micrometers]
12
# Should the Voronoi criterion for grains of type 2 be applied?
# Options: voronoi no_voronoi
no_voronoi
# Phase number for grain type 2? (int)
2
#
#
no_nucleation
#
#
#
# Data for phase interaction 1 / 1:
# ---------------------------------
# Simulation of interaction between phase 1 and 1?
# Options: phase_interaction no_phase_interaction identical phases nb
# [standard|particle_pinning[_temperature]|solute_drag]
phase_interaction standard
# 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]]
76.00000E-06
# 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)] ?
35.00000E-09
#
#
# Data for phase interaction 1 / 2:
# ---------------------------------
# Simulation of interaction between phase 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 ... [degrees] noise ... [J/cm**3]
avg 0. smooth 10
# I.e.: avg +0.00
# 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]]
72.00000E-06
# 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)] ?
1E-06
#
#
# Data for phase interaction 2 / 2:
# ---------------------------------
# Simulation of interaction between phase 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]
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]]
76.00000E-06
# 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)] ?
5.00000E-10
#
# Concentration data
# ==================
# Number of dissolved constituents? (int)
2
# Type of concentration?
# Options: atom_percent (at%)
# weight_percent (wt%)
weight_percent
# How shall diffusion of component 1 in phase 0 be solved?
diagonal n
# How shall diffusion of component 1 in phase 1 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
15.00000E-02
# Activation energy? (real) [J/mol]
142100
# How shall diffusion of component 1 in phase 2 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
2.2000
# Activation energy? (real) [J/mol]
122500
# How shall diffusion of component 2 in phase 0 be solved?
diagonal n
# How shall diffusion of component 2 in phase 1 be solved?
diagonal n
# How shall diffusion of component 2 in phase 2 be solved?
diagonal n
#
# Phase diagram - input data
# ==========================
#
# List of phases and components which are stoichiometric:
# phase and component(s) numbers
# List of concentration limits (at%):
# <Limits>, phase number and component number
# List for ternary extrapolation (2 elements + main comp.):
# <interaction>, component 1, component 2
# Switches: <stoich_enhanced_{on|off}> <solubility_{on|off}>
# End with 'no_more_stoichio' or 'no_stoichio'
no_stoichio
#
# Is a thermodynamic database to be used?
# Options: database database_verbose no_database
database GES_Files/FeCMn
#
# Which global relinearisation mode shall be used?
# Options: manual from_file none
none
# Input of the phase diagram of phase 0 and phase 1:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: database [local|global|globalF][start_value_{1|2}] linear linearTQ
database global
# Relinearisation mode for interface 0 / 1
# Options: automatic manual from_file none
none
normal
para
average_velocity
# 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 3 phases:
# 1: LIQUID
# 2: BCC_A2
# 3: FCC_A1
# Specify relation between phase indices Micress -> TC!
# The matrix phase has in MICRESS the index 0
# Thermo-Calc index of the (MICRESS) phase 1?
2
# Thermo-Calc index of the (MICRESS) phase 2?
3
# 0 -> LIQUID
# 1 -> BCC_A2
# 2 -> FCC_A1
#
# Molar volume of (MICRESS) phase 0 (LIQUID)? [cm**3/mol]
7.3
# Molar volume of (MICRESS) phase 1 (BCC_A2)? [cm**3/mol]
7.2
953
#
# 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%]
0.2
# Initial concentration of component 2 in phase 1 ? [wt%]
3.7
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]
943
# Temperature gradient in z-direction? [K/cm]
0.0000
# Cooling rate? [K/s]
100
# 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
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
#
#
# Other numerical parameters
# ==========================
# Phase minimum?
1.00E-06
# Interface thickness (in cells)?
3.00
#
#
I am a fresh user in the field of phase field modeling and MICRESS. I have a plan to simulate flash annealing treatment at heating rate of 100 K/s and for my material with chemical composition as Fe-0.2C-3.7Mn. actually, I want to simulate reversion treatment for solid transformation from fully cold rolled martensite to reverted austenite. so, I defined two phase: martensite (presumed as supper saturated ferrite) and austenite.
I have selected 5 grains for this simulation to see the changes in the Z direction (optionally), for this purpose I used a pre-file and I have changed the content as my work (like Gamma-Alpha (dri) friles). but I have severe problem in the running comes out from *grain input* section, I don't know what is the problem?....
Thermodynamic data and geometry of the grains adopted from previous literatures like Militzer's work ( https://doi.org/10.3139/146.110307 ).
I tried round, rectangular, elliptic and etc for shape of these grains but my problem still remains...I should say there is not any recrystallization in my work and I want to know only abut nucleation of austenite on martensitic matrix (I presume that as supersaturated ferrite) and covering that at high heating rate.
I would be appreciate if you help me to solve my problem.
here is the code:
#
# Automatic 'Driving File' written out by MICRESS.
#
#
#
# MICRESS binary
# ==============
# version number: 6.300 (Linux)
# compiled: 09/22/2016
# compiler version: Intel 1400 20140120
# executable architecture: x64
# Thermo-Calc coupling: enabled
# Version: 1E1
# Link Date: 16-12-2015 15:03:59
# OS Name: Linux
# Build Date:
# Compiler: ifort (IFORT) 14.0.2 20140120
# OpenMP: disabled
# 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):
250
# 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')
0.04
#
# Flags
# -----
# Type of coupling?
# Options: phase concentration 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]
0.01
#
#
# Restart options
# ===============
# Restart using old results?
# Options: new restart [reset_time | structure_only]
new
#
#
# Name of output files
# ====================
# Name of result files?
Results_ReX/ReX_random2
# 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]
# Finish selection of outputs with 'end_of_outputs'.
terse
out_restart
out_grains
out_phases
out_fraction 1 2
tab_fractions
out_interface
out_driv_force
tab_grains
out_conc
out_conc_phase 1 | 2
out_mobility
tab_lin
tab_log 1.
# out_relin
# out_curvature
# out_velocity
# tab_vnm
# tab_grain_data
# out_temp
# tab_conc
out_recrystall
# tab_recrystall
# out_disloc
# out_miller
out_orientation
# tab_orientation [rotmat]
end_of_outputs
#
#
# 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 0.1 2
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 1.0
# 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?
2
#
# Data for phase 1:
# -----------------
# Simulation of recrystallisation in phase 1?
# Options: recrystall no_recrystall [verbose|no_verbose]
no_recrystall
# Which recrystallisation model?
# Is phase 1 anisotrop?
# Options: isotropic anisotropic faceted antifaceted
anisotropic
# Crystal symmetry of the phase?
# Options: none cubic hexagonal tetragonal orthorhombic
cubic
# 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 antifaceted
isotropic
# Should grains of phase 2 be reduced to categories?
# Options: categorize no_categorize
no_categorize
#
#
# Orientation
# -----------------
# 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
deterministic
# number of grains at the beginning?
5
# ----------------------
# Geometry of grain type 1
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
3
6
# length of axis along x-axis? [micrometers]
6
# length of axis along z-axis? [micrometers]
12
# Should the Voronoi criterion for grains of type 1 be applied?
# Options: voronoi no_voronoi
no_voronoi
# Phase number for grain type 1? (int)
1
#
# Input for grain type 2
# ----------------------
# Geometry of grain type 2
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 2?
3
6
# length of axis along x-axis? [micrometers]
6
# length of axis along z-axis? [micrometers]
12
# Should the Voronoi criterion for grains of type 2 be applied?
# Options: voronoi no_voronoi
no_voronoi
# Phase number for grain type 2? (int)
2
#
#
no_nucleation
#
#
#
# Data for phase interaction 1 / 1:
# ---------------------------------
# Simulation of interaction between phase 1 and 1?
# Options: phase_interaction no_phase_interaction identical phases nb
# [standard|particle_pinning[_temperature]|solute_drag]
phase_interaction standard
# 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]]
76.00000E-06
# 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)] ?
35.00000E-09
#
#
# Data for phase interaction 1 / 2:
# ---------------------------------
# Simulation of interaction between phase 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 ... [degrees] noise ... [J/cm**3]
avg 0. smooth 10
# I.e.: avg +0.00
# 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]]
72.00000E-06
# 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)] ?
1E-06
#
#
# Data for phase interaction 2 / 2:
# ---------------------------------
# Simulation of interaction between phase 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]
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]]
76.00000E-06
# 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)] ?
5.00000E-10
#
# Concentration data
# ==================
# Number of dissolved constituents? (int)
2
# Type of concentration?
# Options: atom_percent (at%)
# weight_percent (wt%)
weight_percent
# How shall diffusion of component 1 in phase 0 be solved?
diagonal n
# How shall diffusion of component 1 in phase 1 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
15.00000E-02
# Activation energy? (real) [J/mol]
142100
# How shall diffusion of component 1 in phase 2 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
2.2000
# Activation energy? (real) [J/mol]
122500
# How shall diffusion of component 2 in phase 0 be solved?
diagonal n
# How shall diffusion of component 2 in phase 1 be solved?
diagonal n
# How shall diffusion of component 2 in phase 2 be solved?
diagonal n
#
# Phase diagram - input data
# ==========================
#
# List of phases and components which are stoichiometric:
# phase and component(s) numbers
# List of concentration limits (at%):
# <Limits>, phase number and component number
# List for ternary extrapolation (2 elements + main comp.):
# <interaction>, component 1, component 2
# Switches: <stoich_enhanced_{on|off}> <solubility_{on|off}>
# End with 'no_more_stoichio' or 'no_stoichio'
no_stoichio
#
# Is a thermodynamic database to be used?
# Options: database database_verbose no_database
database GES_Files/FeCMn
#
# Which global relinearisation mode shall be used?
# Options: manual from_file none
none
# Input of the phase diagram of phase 0 and phase 1:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: database [local|global|globalF][start_value_{1|2}] linear linearTQ
database global
# Relinearisation mode for interface 0 / 1
# Options: automatic manual from_file none
none
normal
para
average_velocity
# 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 3 phases:
# 1: LIQUID
# 2: BCC_A2
# 3: FCC_A1
# Specify relation between phase indices Micress -> TC!
# The matrix phase has in MICRESS the index 0
# Thermo-Calc index of the (MICRESS) phase 1?
2
# Thermo-Calc index of the (MICRESS) phase 2?
3
# 0 -> LIQUID
# 1 -> BCC_A2
# 2 -> FCC_A1
#
# Molar volume of (MICRESS) phase 0 (LIQUID)? [cm**3/mol]
7.3
# Molar volume of (MICRESS) phase 1 (BCC_A2)? [cm**3/mol]
7.2
953
#
# 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%]
0.2
# Initial concentration of component 2 in phase 1 ? [wt%]
3.7
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]
943
# Temperature gradient in z-direction? [K/cm]
0.0000
# Cooling rate? [K/s]
100
# 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
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
#
#
# Other numerical parameters
# ==========================
# Phase minimum?
1.00E-06
# Interface thickness (in cells)?
3.00
#
#