Hi Bernd:
Recently I did a paraequilibrium simumation of the isothermal austenite to ferrite transformation in a Fe-0.1C-1.5Mn alloy. However, the results seem quite strange to me. please see attached the figure.
I do not understand why the ferrite fraction decrease at the later stage of the transformation.
ps: I also did the NPLE simulation, and its results look quite okay.
thanks!!
Hao Chen
paraequilibrium simulation
paraequilibrium simulation
- Attachments
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- pe.jpg (13.46 KiB) Viewed 7907 times
Re: paraequilibrium simulation
Dear Hao,
Welcome to the MICRESS forum!
From the phase fraction curves alone it is hard to say whether the results can be correct or not. Generally, phase transformations do not necessarily lead to a global equilibrium situation, and it could be that a non-equilibrium carbon distribution allows for a temporary ferrite fraction above the equilibrium value. This would be corrected later by C diffusion, and the ferrite fraction would decrease. Such an oscillation would not appear in NPLE mode if the transformation is much slower.
I would like to see the composition profiles as function of time, in comparison to the NPLE case, to see whether this scenario is realistic, or whether the effect rather is of numerical nature. By the way, did you use "para" or "paraTQ"?
Bernd
Welcome to the MICRESS forum!
From the phase fraction curves alone it is hard to say whether the results can be correct or not. Generally, phase transformations do not necessarily lead to a global equilibrium situation, and it could be that a non-equilibrium carbon distribution allows for a temporary ferrite fraction above the equilibrium value. This would be corrected later by C diffusion, and the ferrite fraction would decrease. Such an oscillation would not appear in NPLE mode if the transformation is much slower.
I would like to see the composition profiles as function of time, in comparison to the NPLE case, to see whether this scenario is realistic, or whether the effect rather is of numerical nature. By the way, did you use "para" or "paraTQ"?
Bernd
Re: paraequilibrium simulation
Hi Bernd:
thanks for the prompt reply.
The calculations are done by ParaTQ. for your reference, I shared the results file in the drobbox link. https://www.dropbox.com/sh/4opbi8ko4pp2nie/8l3CgnueYw
by the way, is the standard mode in micress is comparable to local equilibrium ? both Mn and C diffusion have been considered?
best regards
Hao
thanks for the prompt reply.
The calculations are done by ParaTQ. for your reference, I shared the results file in the drobbox link. https://www.dropbox.com/sh/4opbi8ko4pp2nie/8l3CgnueYw
by the way, is the standard mode in micress is comparable to local equilibrium ? both Mn and C diffusion have been considered?
best regards
Hao
Re: paraequilibrium simulation
Hi Hao,
As we can see from the carbon distribution, this is clearly a numerical issue (shown is only a small section):
It seems that at the points where ferrite grains touch, the interface has different properties and start to move in the opposite direction...
Can you please show us the input file for this simulation? Perhaps I can see what could be the reason! (I think it would be better to attach or paste it to the forum, otherwise it will not be visible any more once you clean up your drop box...)
Bernd
As we can see from the carbon distribution, this is clearly a numerical issue (shown is only a small section):
- Gamma_Alpha_PE_conc1_mcr_1.png (23.64 KiB) Viewed 7899 times
- Gamma_Alpha_PE_conc1_mcr_2.png (22.39 KiB) Viewed 7899 times
- Gamma_Alpha_PE_conc1_mcr_3.png (19.99 KiB) Viewed 7899 times
Can you please show us the input file for this simulation? Perhaps I can see what could be the reason! (I think it would be better to attach or paste it to the forum, otherwise it will not be visible any more once you clean up your drop box...)
Bernd
Re: paraequilibrium simulation
By the way, standard mode in MICRESS is a "mixed" mode between nple and para, when the substitutional elements are not diffusing (i.e. the diffusion length is much smaller than the interface thickness).
Local equilibrium is considered in each interface grid cell, but with different phase fractions. This leads to an integral behaviour which is between the two extremes. In most cases, standard mode appears even to be closer to para than to nple.
Bernd
Local equilibrium is considered in each interface grid cell, but with different phase fractions. This leads to an integral behaviour which is between the two extremes. In most cases, standard mode appears even to be closer to para than to nple.
Bernd
Re: paraequilibrium simulation
Hi Bernd:
thanks!
Attached is the drive file for this simulation. Actually I used your example file but with different compositions.
kind regards
Hao
#
# Automatic 'Driving File' written out by MICRESS.
#
#
# Type of input?
# ==============
shell input
#
#
# MICRESS binary
# ==============
# version number: 6.001 (Windows)
# compiled: 12/13/2011
# compiler version: Intel 1200 20110427
# ('double precision' binary)
# permanent license
#
#
# Language settings
# =================
# Please select a language: 'English', 'Deutsch' or 'Francais'
English
#
#
# Flags and settings
# ==================
#
# Geometry
# --------
# 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):
# (optionally followed by rescaling factor for the output in the form of '3/4')
0.2500000
#
# Flags
# -----
# Type of coupling?
# Options: phase concentration temperature temp_cyl_coord
# [stress] [stress_coupled] [flow]
concentration
# Type of potential?
# Options: double_obstacle multi_obstacle [fd_correction]
double_obstacle
# 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_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]
new
#
#
# Name of output files
# ====================
# Name of result files?
Results_Gamma_Alpha1/Gamma_Alpha_NPLE1
# Overwrite files with the same name?
# Options: overwrite write_protected append
# [zipped|not_zipped|vtk_zipped|vtk_not_zipped]
# [unix|windows|non_native]
overwrite
#
#
#
#
# New folder created I:\Desktop\Hao Chen\Gamma_Alpha1\Results_Gamma_Alpha1
#
#
#
#
#
#
# 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
tab_log 0.25
# out_relin
# out_mobility
# out_curvature
# out_velocity
# tab_vnm
# tab_grain_data
# out_temp
# out_conc_phase [comps.] | ... | ph_n [comps.]
# tab_conc
# out_recrystall
# tab_recrystall
# out_miller
# out_orientation
# tab_orientation
# tab_lin
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')
00.25
01.00
linear_step 00.50 10.00
linear_step 01.00 300.00
end_of_simulation
# Time-step?
# Options: (real) automatic [0<factor_1<=1] [0<=factor_2] [max.] [min.]
# (Fix time steps: just input the value)
automatic
# Coefficient for phase-field criterion 1.00
# Coefficient for segregation criterion 0.900
# Number of iterations for initialisation?
25
#
#
# Phase data
# ==========
# Number of distinct solid phases?
2
#
# Data for phase 1:
# -----------------
# Simulation of recrystallisation in phase 1?
# Options: recrystall no_recrystall
no_recrystall
# Is phase 1 anisotrop?
# Options: isotropic anisotropic faceted 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
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
#
#
# Grain input
# ===========
# Type of grain positioning?
# Options: deterministic random from_file
deterministic
# NB: the origin of coordinate system is the bottom left-hand corner,
# all points within the simulation domain having positive coordinates.
# Number of grains at the beginning?
9
# Input data for grain number 1:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 1?
51.2400
20.9700
# Grain radius? [micrometers]
23.3600
# Shall grain 1 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 2:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 2?
52.1000
47.3650
# Grain radius? [micrometers]
25.8600
# Shall grain 2 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 3:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 3?
37.1300
23.0300
# Grain radius? [micrometers]
23.8100
# Shall grain 3 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 4:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 4?
3.24500
21.1300
# Grain radius? [micrometers]
23.8700
# Shall grain 4 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 5:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 5?
13.1700
35.4850
# Grain radius? [micrometers]
27.0200
# Shall grain 5 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 6:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 6?
29.3050
12.8200
# Grain radius? [micrometers]
27.7700
# Shall grain 6 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 7:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 7?
4.78500
31.4650
# Grain radius? [micrometers]
25.3700
# Shall grain 7 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 8:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 8?
2.15500
2.49000
# Grain radius? [micrometers]
27.9450
# Shall grain 8 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 9:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 9?
42.1750
4.61000
# Grain radius? [micrometers]
24.1500
# Shall grain 9 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
#
#
# Data for further nucleation
# ===========================
# Enable further nucleation?
# Options: nucleation no_nucleation [verbose|no_verbose]
nucleation
# Additional output for nucleation?
# Options: out_nucleation no_out_nucleation
no_out_nucleation
#
# Number of types of seeds?
3
#
# Input for seed type 1:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrat phase [2nd phase in interface]?
1
# maximum number of new nuclei 1?
250
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>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]
1000.000
# max. nucleation temperature for seed type 1 [K]
1200.000
# Time between checks for nucleation? [s]
0.10000
# 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 [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrat phase [2nd phase in interface]?
# (set to 1 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 2?
500
# 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] ?
20.000
# Shield distance [micrometers]?
2.5000
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
1000.000
# max. nucleation temperature for seed type 2 [K]
1200.000
# Time between checks for nucleation? [s]
0.10000
# 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 [restrictive]
bulk
# Phase of new grains (integer) [unresolved]?
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?
500
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>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]
1000.000
# max. nucleation temperature for seed type 3 [K]
1200.000
# Time between checks for nucleation? [s]
0.10000
# 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 phase 0 and 1?
# Options: phase_interaction no_phase_interaction
# [standard|particle_pinning[_temperature]|solute_drag|redistribution_control]
no_phase_interaction
#
# Data for phase interaction 0 / 2:
# ---------------------------------
# Simulation of interaction between phase 0 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb.
# [standard|particle_pinning[_temperature]|solute_drag|redistribution_control]
no_phase_interaction
#
# 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|redistribution_control]
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 dg_dependent
constant
# Kinetic coefficient mu between phases 1 and 1? [cm**4/(Js)]
1.00000E-05
#
# 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]
phase_interaction redistribution_control
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees]
avg 0.9 max 50 smooth 45
# I.e.: avg +0.90 smooth +45.0 max +5.00000E+01
# Type of surface energy definition between phases 1 and 2?
# Options: constant temp_dependent
constant
# Surface energy between phases 1 and 2? [J/cm**2]
1.20000E-04
# Type of mobility definition between phases 1 and 2?
# Options: constant temp_dependent dg_dependent
constant
# Kinetic coefficient mu between phases 1 and 2? [cm**4/(Js)]
2.20000E-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]
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 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
#
# Options: diff no_diff infinite infinite_restricted
# multi database_global database_local
# [+b] for grain-boundary diffusion
# ('multi' can be followed by a string of "n", "d", "g", or "l",
# to describe each contribution: respectively no diffusion,
# user-defined diffusion coefficient, and 'global' or 'local'
# value from database, the default is global values from database).
# Extra line option: Cushion
# How shall diffusion of component 1 in phase 0 be solved?
no_diff
# How shall diffusion of component 1 in phase 1 be solved?
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 phase 2 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
0.12300
# Activation energy? (real) [J/mol]
98290.
# How shall diffusion of component 2 in phase 0 be solved?
no_diff
# How shall diffusion of component 2 in phase 1 be solved?
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 phase 2 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
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
# List of concentration limits:
# <Limits>, phase number and component number
# End with 'no_more_stoichio' or 'no_stoichio'
no_stoichio
#
#
#
#
# Is a thermodynamic database to be used?
# Options: database no_database
database FeCMn
#
# Interval for updating thermodynamic data [s] =
1.0000
# Input of the phase diagram of phase 1 and phase 2:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: database [local|global] linear linearTQ
database
# Maximal allowed local temperature deviation [K] [Interval [s] ]
-1.00000000000000
# Please specify the redistribution behaviour of each component:
# Format: forward [backward]
# Options: nple para paraTQ normal ATC [mob_corr|verbose]
# Component 1
normal
# Component 2
para
# 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
# Thermo-Calc index of the (MICRESS) phase 1?
4
# Thermo-Calc index of the (MICRESS) phase 2?
2
# 1 -> FCC_A1
# 2 -> BCC_A2
#
# Molar volume of (MICRESS) phase 1 (FCC_A1)? [cm**3/mol]
7.1824
# Molar volume of (MICRESS) phase 2 (BCC_A2)? [cm**3/mol]
7.2757
# Temperature at which the initial equilibrium
# will be calculated? [K]
1073.000
#
#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
equilibrium 1
# Initial concentration of component 1 (C) in phase 1 (FCC_A1) ? [wt%]
0.10000
# Initial concentration of component 2 (MN) in phase 1 (FCC_A1) ? [wt%]
1.5000
#
#
# 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)
2
# Initial temperature at the bottom? (real) [K]
1073.000
# Temperature gradient in z-direction? [K/cm]
0.0000
# 1 Connecting point, time t [sec]?
1.00000000000000
# 1 Connecting point, temperature
1023.0
# 1 connecting point, temperature gradient in z-direction (real) [K/cm]
0.0000
# 2 Connecting point, time t [sec]?
300.000000000000
# 2 Connecting point, temperature
1023.0
# 2 connecting point, temperature gradient in z-direction (real) [K/cm]
0.0000
# 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: E W (N S, if 3D) B T borders
pppp
#
# Boundary conditions for concentration 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
#
#
# Other numerical parameters
# ==========================
# Phase minimum?
1.00E-04
# Interface thickness (in cells)?
5.00
#
#
thanks!
Attached is the drive file for this simulation. Actually I used your example file but with different compositions.
kind regards
Hao
#
# Automatic 'Driving File' written out by MICRESS.
#
#
# Type of input?
# ==============
shell input
#
#
# MICRESS binary
# ==============
# version number: 6.001 (Windows)
# compiled: 12/13/2011
# compiler version: Intel 1200 20110427
# ('double precision' binary)
# permanent license
#
#
# Language settings
# =================
# Please select a language: 'English', 'Deutsch' or 'Francais'
English
#
#
# Flags and settings
# ==================
#
# Geometry
# --------
# 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):
# (optionally followed by rescaling factor for the output in the form of '3/4')
0.2500000
#
# Flags
# -----
# Type of coupling?
# Options: phase concentration temperature temp_cyl_coord
# [stress] [stress_coupled] [flow]
concentration
# Type of potential?
# Options: double_obstacle multi_obstacle [fd_correction]
double_obstacle
# 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_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]
new
#
#
# Name of output files
# ====================
# Name of result files?
Results_Gamma_Alpha1/Gamma_Alpha_NPLE1
# Overwrite files with the same name?
# Options: overwrite write_protected append
# [zipped|not_zipped|vtk_zipped|vtk_not_zipped]
# [unix|windows|non_native]
overwrite
#
#
#
#
# New folder created I:\Desktop\Hao Chen\Gamma_Alpha1\Results_Gamma_Alpha1
#
#
#
#
#
#
# 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
tab_log 0.25
# out_relin
# out_mobility
# out_curvature
# out_velocity
# tab_vnm
# tab_grain_data
# out_temp
# out_conc_phase [comps.] | ... | ph_n [comps.]
# tab_conc
# out_recrystall
# tab_recrystall
# out_miller
# out_orientation
# tab_orientation
# tab_lin
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')
00.25
01.00
linear_step 00.50 10.00
linear_step 01.00 300.00
end_of_simulation
# Time-step?
# Options: (real) automatic [0<factor_1<=1] [0<=factor_2] [max.] [min.]
# (Fix time steps: just input the value)
automatic
# Coefficient for phase-field criterion 1.00
# Coefficient for segregation criterion 0.900
# Number of iterations for initialisation?
25
#
#
# Phase data
# ==========
# Number of distinct solid phases?
2
#
# Data for phase 1:
# -----------------
# Simulation of recrystallisation in phase 1?
# Options: recrystall no_recrystall
no_recrystall
# Is phase 1 anisotrop?
# Options: isotropic anisotropic faceted 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
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
#
#
# Grain input
# ===========
# Type of grain positioning?
# Options: deterministic random from_file
deterministic
# NB: the origin of coordinate system is the bottom left-hand corner,
# all points within the simulation domain having positive coordinates.
# Number of grains at the beginning?
9
# Input data for grain number 1:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 1?
51.2400
20.9700
# Grain radius? [micrometers]
23.3600
# Shall grain 1 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 2:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 2?
52.1000
47.3650
# Grain radius? [micrometers]
25.8600
# Shall grain 2 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 3:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 3?
37.1300
23.0300
# Grain radius? [micrometers]
23.8100
# Shall grain 3 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 4:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 4?
3.24500
21.1300
# Grain radius? [micrometers]
23.8700
# Shall grain 4 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 5:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 5?
13.1700
35.4850
# Grain radius? [micrometers]
27.0200
# Shall grain 5 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 6:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 6?
29.3050
12.8200
# Grain radius? [micrometers]
27.7700
# Shall grain 6 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 7:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 7?
4.78500
31.4650
# Grain radius? [micrometers]
25.3700
# Shall grain 7 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 8:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 8?
2.15500
2.49000
# Grain radius? [micrometers]
27.9450
# Shall grain 8 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
# Input data for grain number 9:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 9?
42.1750
4.61000
# Grain radius? [micrometers]
24.1500
# Shall grain 9 be stabilized or shall
# an analytical curvature description be applied?
# Options: stabilisation analytical_curvature
stabilisation
# Should the Voronoi criterion?
# Options: voronoi no_voronoi
voronoi
# Phase number? (integer)
1
#
#
# Data for further nucleation
# ===========================
# Enable further nucleation?
# Options: nucleation no_nucleation [verbose|no_verbose]
nucleation
# Additional output for nucleation?
# Options: out_nucleation no_out_nucleation
no_out_nucleation
#
# Number of types of seeds?
3
#
# Input for seed type 1:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrat phase [2nd phase in interface]?
1
# maximum number of new nuclei 1?
250
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>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]
1000.000
# max. nucleation temperature for seed type 1 [K]
1200.000
# Time between checks for nucleation? [s]
0.10000
# 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 [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrat phase [2nd phase in interface]?
# (set to 1 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 2?
500
# 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] ?
20.000
# Shield distance [micrometers]?
2.5000
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
1000.000
# max. nucleation temperature for seed type 2 [K]
1200.000
# Time between checks for nucleation? [s]
0.10000
# 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 [restrictive]
bulk
# Phase of new grains (integer) [unresolved]?
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?
500
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>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]
1000.000
# max. nucleation temperature for seed type 3 [K]
1200.000
# Time between checks for nucleation? [s]
0.10000
# 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 phase 0 and 1?
# Options: phase_interaction no_phase_interaction
# [standard|particle_pinning[_temperature]|solute_drag|redistribution_control]
no_phase_interaction
#
# Data for phase interaction 0 / 2:
# ---------------------------------
# Simulation of interaction between phase 0 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb.
# [standard|particle_pinning[_temperature]|solute_drag|redistribution_control]
no_phase_interaction
#
# 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|redistribution_control]
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 dg_dependent
constant
# Kinetic coefficient mu between phases 1 and 1? [cm**4/(Js)]
1.00000E-05
#
# 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]
phase_interaction redistribution_control
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees]
avg 0.9 max 50 smooth 45
# I.e.: avg +0.90 smooth +45.0 max +5.00000E+01
# Type of surface energy definition between phases 1 and 2?
# Options: constant temp_dependent
constant
# Surface energy between phases 1 and 2? [J/cm**2]
1.20000E-04
# Type of mobility definition between phases 1 and 2?
# Options: constant temp_dependent dg_dependent
constant
# Kinetic coefficient mu between phases 1 and 2? [cm**4/(Js)]
2.20000E-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]
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 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
#
# Options: diff no_diff infinite infinite_restricted
# multi database_global database_local
# [+b] for grain-boundary diffusion
# ('multi' can be followed by a string of "n", "d", "g", or "l",
# to describe each contribution: respectively no diffusion,
# user-defined diffusion coefficient, and 'global' or 'local'
# value from database, the default is global values from database).
# Extra line option: Cushion
# How shall diffusion of component 1 in phase 0 be solved?
no_diff
# How shall diffusion of component 1 in phase 1 be solved?
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 phase 2 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
0.12300
# Activation energy? (real) [J/mol]
98290.
# How shall diffusion of component 2 in phase 0 be solved?
no_diff
# How shall diffusion of component 2 in phase 1 be solved?
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 phase 2 be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
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
# List of concentration limits:
# <Limits>, phase number and component number
# End with 'no_more_stoichio' or 'no_stoichio'
no_stoichio
#
#
#
#
# Is a thermodynamic database to be used?
# Options: database no_database
database FeCMn
#
# Interval for updating thermodynamic data [s] =
1.0000
# Input of the phase diagram of phase 1 and phase 2:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options: database [local|global] linear linearTQ
database
# Maximal allowed local temperature deviation [K] [Interval [s] ]
-1.00000000000000
# Please specify the redistribution behaviour of each component:
# Format: forward [backward]
# Options: nple para paraTQ normal ATC [mob_corr|verbose]
# Component 1
normal
# Component 2
para
# 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
# Thermo-Calc index of the (MICRESS) phase 1?
4
# Thermo-Calc index of the (MICRESS) phase 2?
2
# 1 -> FCC_A1
# 2 -> BCC_A2
#
# Molar volume of (MICRESS) phase 1 (FCC_A1)? [cm**3/mol]
7.1824
# Molar volume of (MICRESS) phase 2 (BCC_A2)? [cm**3/mol]
7.2757
# Temperature at which the initial equilibrium
# will be calculated? [K]
1073.000
#
#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
equilibrium 1
# Initial concentration of component 1 (C) in phase 1 (FCC_A1) ? [wt%]
0.10000
# Initial concentration of component 2 (MN) in phase 1 (FCC_A1) ? [wt%]
1.5000
#
#
# 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)
2
# Initial temperature at the bottom? (real) [K]
1073.000
# Temperature gradient in z-direction? [K/cm]
0.0000
# 1 Connecting point, time t [sec]?
1.00000000000000
# 1 Connecting point, temperature
1023.0
# 1 connecting point, temperature gradient in z-direction (real) [K/cm]
0.0000
# 2 Connecting point, time t [sec]?
300.000000000000
# 2 Connecting point, temperature
1023.0
# 2 connecting point, temperature gradient in z-direction (real) [K/cm]
0.0000
# 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: E W (N S, if 3D) B T borders
pppp
#
# Boundary conditions for concentration 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
#
#
# Other numerical parameters
# ==========================
# Phase minimum?
1.00E-04
# Interface thickness (in cells)?
5.00
#
#
Re: paraequilibrium simulation
Hi Hao,
I got a bit confused: The simulation with the decreasing ferrite fraction was done using para, while the one which you also sent by dropbox and which you named "Gamma_Alpha_NPLE_*" seems to have been actually done using paraTQ - is that right?
To be honest, I need some more time to find out why the one with para is behaving so strange (simultaneous transformation in both directions!). So, meanwhile, you should use either paraTQ or nple! I personally think that nple is more realistic under such conditions, but I am not a real expert...
Anyway, the paraTQ is the thermodynamically correct model, as it uses paraequilibrium equilibria, while para is only an approximation based on equilibrium redistribution and artificial "neglecting" of the pile-up. I will tell you as soon as I found the problem with para!
Bernd
I got a bit confused: The simulation with the decreasing ferrite fraction was done using para, while the one which you also sent by dropbox and which you named "Gamma_Alpha_NPLE_*" seems to have been actually done using paraTQ - is that right?
To be honest, I need some more time to find out why the one with para is behaving so strange (simultaneous transformation in both directions!). So, meanwhile, you should use either paraTQ or nple! I personally think that nple is more realistic under such conditions, but I am not a real expert...
Anyway, the paraTQ is the thermodynamically correct model, as it uses paraequilibrium equilibria, while para is only an approximation based on equilibrium redistribution and artificial "neglecting" of the pile-up. I will tell you as soon as I found the problem with para!
Bernd
Re: paraequilibrium simulation
Hi Bernd:
thanks!
"Gamma_Alpha_NPLE_" actually is simulated by NPLE_TQ. You can see that the nple kinetics is much slower than PE.
kind regards
Hao
thanks!
"Gamma_Alpha_NPLE_" actually is simulated by NPLE_TQ. You can see that the nple kinetics is much slower than PE.
kind regards
Hao
Bernd wrote:Hi Hao,
I got a bit confused: The simulation with the decreasing ferrite fraction was done using para, while the one which you also sent by dropbox and which you named "Gamma_Alpha_NPLE_*" seems to have been actually done using paraTQ - is that right?
To be honest, I need some more time to find out why the one with para is behaving so strange (simultaneous transformation in both directions!). So, meanwhile, you should use either paraTQ or nple! I personally think that nple is more realistic under such conditions, but I am not a real expert...
Anyway, the paraTQ is the thermodynamically correct model, as it uses paraequilibrium equilibria, while para is only an approximation based on equilibrium redistribution and artificial "neglecting" of the pile-up. I will tell you as soon as I found the problem with para!
Bernd
Re: paraequilibrium simulation
Hi Hao,
sorry, there is a misunderstanding: There are 3 special models (keyword options) in MICRESS which can be activated using the option "redistribution_control" (see here):
"nple"
"para"
"paraTQ"
("normal" is used for interstitial elements and behaves like without any redistribution control)
"para" and "nple" are changing the redistribution behaviour without having any effect on the quasi-equilibria obtained from the Thermo-Calc subroutines, while "paraTQ" is using the internal para-equilibrium mode of Thermo-Calc instead!
Bernd
sorry, there is a misunderstanding: There are 3 special models (keyword options) in MICRESS which can be activated using the option "redistribution_control" (see here):
"nple"
"para"
"paraTQ"
("normal" is used for interstitial elements and behaves like without any redistribution control)
"para" and "nple" are changing the redistribution behaviour without having any effect on the quasi-equilibria obtained from the Thermo-Calc subroutines, while "paraTQ" is using the internal para-equilibrium mode of Thermo-Calc instead!
Bernd
Re: paraequilibrium simulation
Dear Hao,
Meanwhile, I analyzed the problem with "para" and found some conceptional issues which make it go "too fast", leading to the problem you described. In the next MICRESS version (6.2), the errors will be removed.
If you urgently need a fix, I can send you a corresponding executable. But the "paraTQ" and "nple" models are working correctly, so it should be fine for you...
By the way, your modifications inspired me to improve our standard example! With your permission, I will change our examples for the next release according to your case (with respect to the higher C and Mn compositions and to a constant temperature rather than a constant cooling rate)...
Best regards
Bernd
Meanwhile, I analyzed the problem with "para" and found some conceptional issues which make it go "too fast", leading to the problem you described. In the next MICRESS version (6.2), the errors will be removed.
If you urgently need a fix, I can send you a corresponding executable. But the "paraTQ" and "nple" models are working correctly, so it should be fine for you...
By the way, your modifications inspired me to improve our standard example! With your permission, I will change our examples for the next release according to your case (with respect to the higher C and Mn compositions and to a constant temperature rather than a constant cooling rate)...
Best regards
Bernd