Dear Bernd
I have an error message as follow,
"try hard phases 2 1 level : 6 zp= 106 error=3"
Following the sentence, i have many other lines with same errors but different value of "level, zp"
My questions are,
1. Does this make any problem with simulation? I have check the result file such as *. phase, *.conc and *.driv.
But i do not find any major problem with the result.
2. If this is serious problem, how i can fix the problem?
3. I put the driving file below. As you can see, I included every possible nucleation sites for phase 1 and 2. Do you think it causes this kind of error?
Follwing is the driving file.
#
# Automatic 'Driving File' written out by MICRESS.
#
#
# Type of input?
# ==============
shell input
#
#
# MICRESS binary
# ==============
# version number: 6.003 (Windows)
# compiled: 03/28/2012
# compiler version: Intel 1200 20110427
# ('double precision' binary)
# license expires in 42 days
#
#
# 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:
100
# AnzY:
1
# AnzZ:
200
# Cell dimension (grid spacing in micrometers):
# (optionally followed by rescaling factor for the output in the form of '3/4')
1
#
# 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]
multi_obstacle fd_correction
# 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/100X200_1.0um_FeCMn1wt%Al_more_nucleation
# Overwrite files with the same name?
# Options: overwrite write_protected append
# [zippednot_zippedvtk_zippedvtk_not_zipped]
# [unixwindowsnon_native]
overwrite
#
#
#
#
# New folder created D:\GIFT\Project(2013)\MICRESS\FeCMn1wt%Al\Results
#
#
#
#
#
#
# Selection of the outputs
# ========================
# [legacyverboseterse]
# 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 0.01
# 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'
# 'regularlyspaced' 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')
0.01
linear_step 0.1 98.45
end_of_simulation
# Timestep?
# Options: (real) automatic [0<factor_1<=1] [0<=factor_2] [max.] [min.]
# (Fix time steps: just input the value)
automatic
# Coefficient for phasefield criterion 1.00
# Coefficient for segregation criterion 0.900
# Number of steps to adjust profiles of initially sharp interfaces [exclude_inactive]?
5
#
#
# 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
anisotropic
# Crystal symmetry of the phase?
# Options: none xyz_axis cubic hexagonal
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
no_recrystall
# Is phase 2 anisotrop?
# Options: isotropic anisotropic faceted antifaceted
anisotropic
# Crystal symmetry of the phase?
# Options: none xyz_axis cubic hexagonal
cubic
# Should grains of phase 2 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
angle_2d
#
#
# Grain input
# ===========
# Type of grain positioning?
# Options: deterministic random from_file
deterministic
# NB: the origin of coordinate system is the bottom lefthand corner,
# all points within the simulation domain having positive coordinates.
# Number of grains at the beginning?
2
# Input data for grain number 1:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 1?
0.500000
0.500000
# Grain radius? [micrometers]
0.00000
# 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 # dummy!
# Phase number? (integer)
1
# Rotation angle? [Degree]
+0.0000
# Input data for grain number 2:
# Geometry?
# Options: round rectangular elliptic
round
# Center x,z coordinates [micrometers], grain number 2?
199.500
0.500000
# Grain radius? [micrometers]
0.00000
# 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 # dummy!
# Phase number? (integer)
1
# Rotation angle? [Degree]
+0.0000
#
#
# Data for further nucleation
# ===========================
# Enable further nucleation?
# Options: nucleation nucleation_symm no_nucleation [verboseno_verbose]
nucleation
# Additional output for nucleation?
# Options: out_nucleation no_out_nucleation
out_nucleation
#
# Number of types of seeds?
20
#
# Input for seed type 1:
# 
# 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)]?
0
# Substrat phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 1?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
450.0000
# max. nucleation temperature for seed type 1 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# 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]
triple
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
1
# maximum number of new nuclei 2?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
450.0000
# max. nucleation temperature for seed type 2 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# 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]
interface
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
2
# maximum number of new nuclei 3?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 3 [K]
450.0000
# max. nucleation temperature for seed type 3 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# 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 [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
2
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
2
# maximum number of new nuclei 4?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 4 [K]
450.0000
# max. nucleation temperature for seed type 4 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# 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 [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 5?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 5 [K]
450.0000
# max. nucleation temperature for seed type 5 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 6:
# 
# 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 6?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 6 [K]
450.0000
# max. nucleation temperature for seed type 6 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 7:
# 
# 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)
2
# maximum number of new nuclei 7?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 7 [K]
450.0000
# max. nucleation temperature for seed type 7 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 8:
# 
# 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]?
2
# maximum number of new nuclei 8?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 8 [K]
450.0000
# max. nucleation temperature for seed type 8 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 9:
# 
# 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)]?
2
# Substrat phase [2nd phase in interface]?
# (set to 2 to disable the effect of substrate curvature)
2
# maximum number of new nuclei 9?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 9 [K]
450.0000
# max. nucleation temperature for seed type 9 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 10:
# 
# 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)]?
2
# Substrat phase [2nd phase in interface]?
2
# maximum number of new nuclei 10?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 10 [K]
450.0000
# max. nucleation temperature for seed type 10 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 11:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 11?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 11 [K]
450.0000
# max. nucleation temperature for seed type 11 [K]
1800.000
# Time between checks for nucleation? [s]
0.50000
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 12:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
1
# maximum number of new nuclei 12?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 12 [K]
450.0000
# max. nucleation temperature for seed type 12 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 13:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
# (set to 0 to disable the effect of substrate curvature)
2
# maximum number of new nuclei 13?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 13 [K]
450.0000
# max. nucleation temperature for seed type 13 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 14:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Substrat phase [2nd phase in interface]?
2
# maximum number of new nuclei 14?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 14 [K]
450.0000
# max. nucleation temperature for seed type 14 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 15:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
1
# 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 15?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 15 [K]
450.0000
# max. nucleation temperature for seed type 15 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 16:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrat phase [2nd phase in interface]?
1
# maximum number of new nuclei 16?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 16 [K]
450.0000
# max. nucleation temperature for seed type 16 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 17:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
1
# 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)
2
# maximum number of new nuclei 17?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 17 [K]
450.0000
# max. nucleation temperature for seed type 17 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 18:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrat phase [2nd phase in interface]?
2
# maximum number of new nuclei 18?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 18 [K]
450.0000
# max. nucleation temperature for seed type 18 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 19:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
interface
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
2
# Substrat phase [2nd phase in interface]?
# (set to 2 to disable the effect of substrate curvature)
2
# maximum number of new nuclei 19?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 19 [K]
450.0000
# max. nucleation temperature for seed type 19 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
no_nucleation_noise
#
# Input for seed type 20:
# 
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
triple
# Phase of new grains (integer) [unresolved]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
2
# Substrat phase [2nd phase in interface]?
2
# maximum number of new nuclei 20?
5000
# Grain radius [micrometers]?
0.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# min. undercooling [K] (>0)?
10.000
# Determination of nuclei orientations?
# Options: random randomZ fix range parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
5.000
# Maximal value of rotation angle? [Degree]
+5.000
# Shield effect:
# Shield time [s] ?
5.0000
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
10
# Nucleation range
# min. nucleation temperature for seed type 20 [K]
450.0000
# max. nucleation temperature for seed type 20 [K]
1800.000
# Time between checks for nucleation? [s]
1.00000E02
# 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
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
# [standardparticle_pinning[_temperature]solute_drag]
#  [redistribution_control] or [no_junction_forcesjunction_force]
phase_interaction
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees] noise ... [J/cm**3]
avg 1
# I.e.: avg +1.00 smooth +45.0
# Type of surface energy definition between phases LIQUID and 1?
# Options: constant temp_dependent
constant
# Surface energy between phases LIQUID and 1? [J/cm**2]
2.04000E05
# Type of mobility definition between phases LIQUID and 1?
# Options: constant temp_dependent dg_dependent
constant
# Kinetic coefficient mu between phases LIQUID and 1? [cm**4/(Js)]
4.00000E03
# Is interaction isotropic?
# Options: isotropic anisotropic
anisotropic
# static anisotropy coefficient? (< 1.)
0.30000
# kinetic anisotropy coefficient? (< 1.)
0.30000
#
# Data for phase interaction 0 / 2:
# 
# Simulation of interaction between phase 0 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb
# [standardparticle_pinning[_temperature]solute_drag]
#  [redistribution_control] or [no_junction_forcesjunction_force]
phase_interaction
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees] noise ... [J/cm**3]
avg 1
# I.e.: avg +1.00 smooth +45.0
# Type of surface energy definition between phases LIQUID and 2?
# Options: constant temp_dependent
constant
# Surface energy between phases LIQUID and 2? [J/cm**2]
2.04000E05
# Type of mobility definition between phases LIQUID and 2?
# Options: constant temp_dependent dg_dependent
constant
# Kinetic coefficient mu between phases LIQUID and 2? [cm**4/(Js)]
4.00000E03
# Is interaction isotropic?
# Options: isotropic anisotropic
anisotropic
# static anisotropy coefficient? (< 1.)
0.30000
# kinetic anisotropy coefficient? (< 1.)
0.30000
#
# Data for phase interaction 1 / 1:
# 
# Simulation of interaction between phase 1 and 1?
# Options: phase_interaction no_phase_interaction identical phases nb
# [standardparticle_pinning[_temperature]solute_drag]
#  [redistribution_control] or [no_junction_forcesjunction_force]
no_phase_interaction
#
# Data for phase interaction 1 / 2:
# 
# Simulation of interaction between phase 1 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb
# [standardparticle_pinning[_temperature]solute_drag]
#  [redistribution_control] or [no_junction_forcesjunction_force]
phase_interaction
# 'DeltaG' options: default
# avg ... [] max ... [J/cm**3] smooth ... [degrees] noise ... [J/cm**3]
avg 1
# I.e.: avg +1.00 smooth +45.0
# 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]
1.00000E04
# Type of mobility definition between phases 1 and 2?
# Options: constant temp_dependent dg_dependent
temp_dependent
# File for kinetic coefficient between phases 1 and 2?
Mobility_ag.txt
# Shall misorientation be considered?
# Optionen: misorientation no_misorientation
no_misorientation
# Is interaction isotropic?
# Options: isotropic anisotropic
isotropic
#
# Data for phase interaction 2 / 2:
# 
# Simulation of interaction between phase 2 and 2?
# Options: phase_interaction no_phase_interaction identical phases nb
# [standardparticle_pinning[_temperature]solute_drag]
#  [redistribution_control] or [no_junction_forcesjunction_force]
no_phase_interaction
#
#
# Concentration data
# ==================
# Number of dissolved constituents? (int)
3
# 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 grainboundary diffusion
# ('multi' can be followed by a string of "n", "d", "g", or "l",
# to describe each contribution: respectively no diffusion,
# userdefined 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?
diff
# Diff.coefficient:
# Prefactor? (real) [cm**2/s]
2.00000E05
# Activation energy? (real) [J/mol]
0.0000
# How shall diffusion of component 1 in phase 1 be solved?
multi
# How shall diffusion of component 1 in phase 2 be solved?
multi
# How shall diffusion of component 2 in phase 0 be solved?
diff
# Diff.coefficient:
# Prefactor? (real) [cm**2/s]
2.00000E05
# Activation energy? (real) [J/mol]
0.0000
# How shall diffusion of component 2 in phase 1 be solved?
multi
# How shall diffusion of component 2 in phase 2 be solved?
multi
# How shall diffusion of component 3 in phase 0 be solved?
diff
# Diff.coefficient:
# Prefactor? (real) [cm**2/s]
2.00000E05
# Activation energy? (real) [J/mol]
0.0000
# How shall diffusion of component 3 in phase 1 be solved?
multi
# How shall diffusion of component 3 in phase 2 be solved?
multi
#
# Interval for updating diffusion coefficients data? [s]
0.50000
#
#
# 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'
1 3
no_more_stoichio
#
#
#
#
# Is a thermodynamic database to be used?
# Options: database database_verbose no_database
database FeCMnAl
#
# Interval for updating thermodynamic data [s] =
0.50000
# Input of the phase diagram of phase 0 and phase 1:
# 
# Which phase diagram is to be used?
# Options: database [localglobal] linear linearTQ
database
# Maximal allowed local temperature deviation [K] [Interval [s] ]
1.0000000000000000
# Input of the phase diagram of phase 0 and phase 2:
# 
# Which phase diagram is to be used?
# Options: database [localglobal] linear linearTQ
database
# Maximal allowed local temperature deviation [K] [Interval [s] ]
1.0000000000000000
# Input of the phase diagram of phase 1 and phase 2:
# 
# Which phase diagram is to be used?
# Options: database [localglobal] linear linearTQ
database
# Maximal allowed local temperature deviation [K] [Interval [s] ]
1.0000000000000000
# The database contains the following components:
# 1: AL
# 2: C
# 3: FE
# 4: MN
# Specify relation between component indices Micress > TC!
# The main component has in MICRESS the index 0
# ThermoCalc index of (MICRESS) component 0?
3
# ThermoCalc index of (MICRESS) component 1?
2
# ThermoCalc index of (MICRESS) component 2?
4
# ThermoCalc index of (MICRESS) component 3?
1
# 0 > FE
# 1 > C
# 2 > MN
# 3 > AL
# The database contains 19 phases:
# 1: GAS
# 2: LIQUID
# 3: AL4C3
# 4: BCC_A2
# 5: CEMENTITE
# 6: CR3SI
# 7: DIAMOND_FCC_A4
# 8: FCC_A1
# 9: FE4N_LP1
# 10: FECN_CHI
# 11: GRAPHITE
# 12: G_PHASE
# 13: HCP_A3
# 14: KAPPA
# 15: KSI_CARBIDE
# 16: LAVES_PHASE_C14
# 17: M23C6
# 18: M5C2
# 19: M7C3
# Specify relation between phase indices Micress > TC!
# The matrix phase has in MICRESS the index 0
# ThermoCalc index of the (MICRESS) phase 0?
2
# ThermoCalc index of the (MICRESS) phase 1?
4
# ThermoCalc index of the (MICRESS) phase 2?
8
# 0 > LIQUID
# 1 > BCC_A2
# 2 > FCC_A1
#
# Molar volume of (MICRESS) phase 0 (LIQUID)? [cm**3/mol]
8.0000
# Molar volume of (MICRESS) phase 1 (BCC_A2)? [cm**3/mol]
8.0000
# Molar volume of (MICRESS) phase 2 (FCC_A1)? [cm**3/mol]
8.0000
# Temperature at which the initial equilibrium
# will be calculated? [K]
1765.000
#
#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options: input equilibrium from_file [phase number]
equilibrium
# Initial concentration of component 1 (C) in phase 0 (LIQUID) ? [wt%]
0.20000
# Initial concentration of component 2 (MN) in phase 0 (LIQUID) ? [wt%]
6.0000
# Initial concentration of component 3 (AL) in phase 0 (LIQUID) ? [wt%]
1.0000
#
#
# 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]
1765.000
# Temperature gradient in zdirection? [K/cm]
250.00
# 1 Connecting point, time t [sec]?
54.6
# 1 Connecting point, temperature
673.00
# 1 connecting point, temperature gradient in zdirection (real) [K/cm]
250.00
# 2 Connecting point, time t [sec]?
98.45
# 2 Connecting point, temperature
1550.0
# 2 connecting point, temperature gradient in zdirection (real) [K/cm]
0.0000
# Movingframe system in zdirection?
# Options: moving_frame no_moving_frame
no_moving_frame
#
# Boundary conditions for phase field in each direction
# Options: i (insulation) s (symmetric) p (periodic/wraparound)
# g (gradient) f (fixed) w (wetting)
# Sequence: W E (S N, if 3D) B T borders
ppii
#
# Boundary conditions for concentration field in each direction
# Options: i (insulation) s (symmetric) p (periodic/wraparound) g (gradient) f (fixed)
# Sequence: W E (S N, if 3D) B T borders
ppii
# Unitcell 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?
1.00E04
# Interface thickness (in cells)?
4.00
#
#
"Try hard" error message

 Posts: 41
 Joined: Tue May 07, 2013 1:01 pm
 anti_bot: 333
Re: "Try hard" error message
Dear Bernd
My another question is that i found another error message as follow,
"error 1023 in ixind
index outside table"
What is this?
regards
My another question is that i found another error message as follow,
"error 1023 in ixind
index outside table"
What is this?
regards
Re: "Try hard" error message
Dear betleenkim,
The error message
"try hard phases 2 1 level : 6 zp= 106 error=3"
indicates that the iteration of a quasiequilibrium, in this case between phase 2 and 1, was not successful. In such a case, in order to obtain some useful redistribution and pseudobinary extrapolation data ("locally linearized phase diagram description"), information from the former local quasiequilibrium is used to "help" convergence. To do so, the local composition is stepwise "blended" with the ideal composition from the former (or reference) equilibrium. The "level" gives you the number of blending steps, an increasing number means that more "blending" was necessary to get to convergence.
If no convergence is possible at all, the message
"Serious error in linearisation!"
indicates that the former quasiequilibrium data were kept because no new equilibrium could be obtained.
"zp=104" means the linear address of the grid point in the simulation domain where the problem occured. You can visualize this point using DP_MICRESS and "Data informations/'Pinpoint cell pointer'". You will also be able to see the "problematic point" in the .numR output, where it appears as a negative number corresponding to the number of iterations which where spent in calculating any quasiequilibria in this grid cell since the last output.
"error=3" is an internal error number which denotes in which way conversion was impossible. In this case, "3" means that the maximum number of iteration steps was exceeded.
What does this mean for the simulation?
If such errors occurs only now and then, there is no reason to worry about, if the results otherwise look normal. But anyway, it is a hint that something is going on with this phase interaction. Possibly, changing numerical parameters like the interface mobility would remove the message. In simulations of complex technical alloys it probably won't be possible to completely avoid the occurance of such messages.
If these messages occur very frequently, you will typically note a remarkable loss of performance. The results may still be acceptable, but calculation time explodes. Then, it is absolutely necessary to check out the origin and to improve the input file.
I don't think that the error message is connected to the different nucleation sites (if the problem does not start explicitly after nucleation at a specific site)!. Nevertheless, requesting all those sites is not very reasonable as they overlap greatly: Seed type 3 for example includes Seed type 4, Seed type 5 includes Seed types 6,7,8, ...
Bernd
The error message
"try hard phases 2 1 level : 6 zp= 106 error=3"
indicates that the iteration of a quasiequilibrium, in this case between phase 2 and 1, was not successful. In such a case, in order to obtain some useful redistribution and pseudobinary extrapolation data ("locally linearized phase diagram description"), information from the former local quasiequilibrium is used to "help" convergence. To do so, the local composition is stepwise "blended" with the ideal composition from the former (or reference) equilibrium. The "level" gives you the number of blending steps, an increasing number means that more "blending" was necessary to get to convergence.
If no convergence is possible at all, the message
"Serious error in linearisation!"
indicates that the former quasiequilibrium data were kept because no new equilibrium could be obtained.
"zp=104" means the linear address of the grid point in the simulation domain where the problem occured. You can visualize this point using DP_MICRESS and "Data informations/'Pinpoint cell pointer'". You will also be able to see the "problematic point" in the .numR output, where it appears as a negative number corresponding to the number of iterations which where spent in calculating any quasiequilibria in this grid cell since the last output.
"error=3" is an internal error number which denotes in which way conversion was impossible. In this case, "3" means that the maximum number of iteration steps was exceeded.
What does this mean for the simulation?
If such errors occurs only now and then, there is no reason to worry about, if the results otherwise look normal. But anyway, it is a hint that something is going on with this phase interaction. Possibly, changing numerical parameters like the interface mobility would remove the message. In simulations of complex technical alloys it probably won't be possible to completely avoid the occurance of such messages.
If these messages occur very frequently, you will typically note a remarkable loss of performance. The results may still be acceptable, but calculation time explodes. Then, it is absolutely necessary to check out the origin and to improve the input file.
I don't think that the error message is connected to the different nucleation sites (if the problem does not start explicitly after nucleation at a specific site)!. Nevertheless, requesting all those sites is not very reasonable as they overlap greatly: Seed type 3 for example includes Seed type 4, Seed type 5 includes Seed types 6,7,8, ...
Bernd
Re: "Try hard" error message
This is an internal error message from ThermoCalc!"error 1023 in ixind
index outside table"
What is this?
I don't have more information about this error, but I believe it could indicate an incompatibility issue with the .GES5 file, possibly between thermodynamic and mobility data.
If you wish to know it for sure, you may consult the ThermoCalc support at support@thermocalc.se...
Bernd

 Posts: 41
 Joined: Tue May 07, 2013 1:01 pm
 anti_bot: 333
Re: "Try hard" error message
Dear Bernd
I am really thank you about the clear answer.
regards.
I am really thank you about the clear answer.
regards.