some qustions of recrystallisation

ripening phenomena, dislocations, grainboundary topology
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sxxxf
Posts: 3
Joined: Thu Apr 25, 2019 5:55 pm
anti_bot: 333

some qustions of recrystallisation

Post by sxxxf » Mon Apr 29, 2019 4:22 am

Dear everyone
I am new to MICRESS,this is my first post here

I want to do recrystallisation with random(The fifth in the examples----ReX_random),then i had got the Initial microstructure using a random method.There are 4 types grains with numbers 5 5 4 5,They have different energies as in the examples.there are 2 types of seeds---interface and region
---as in the examples.Then i run the program. here is my .in file.

#
# Automatic 'Driving File' written out by MICRESS.
#
#
#
# MICRESS binary
# ==============
# version number: 6.200 (Windows)
# compiled: Nov 27 2014
# compiler version: Intel 1400 20140805
# executable architecture: x64
# Thermo-Calc coupling: disabled
# OpenMP: disabled
# ('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: CellsY=1, for 1D calculations: CellsX=1, CellsY=1)
# Cells in X-direction (CellsX):
1000
# Cells in Y-direction (CellsY):
1
# Cells in Z-direction (CellsZ):
1000
# Cell dimension (grid spacing in micrometers):
# (optionally followed by rescaling factor for the output in the form of '3/4')
0.50000
#
# Flags
# -----
# Type of coupling?
# Options: phase concentration temperature temp_cyl_coord
# [stress] [stress_coupled] [flow] [flow_coarse] [dislocation]
phase
# Type of potential?
# Options: double_obstacle multi_obstacle [fd_correction]
double_obstacle fd_correction
#
# Phase field data structure
# --------------------------
# Coefficient for initial dimension of field iFace
# [minimum usage] [target usage]
0.1
# Coefficient for initial dimension of field nTupel
# [minimum usage] [target usage]
0.1
#
#
# Restart options
# ===============
# Restart using old results?
# Options: new restart [reset_time | structure_only]
new
#
#
# Name of output files
# ====================
# Name of result files?
Results_ReX500-500/ReX_random426-2-4
# Overwrite files with the same name?
# Options: overwrite write_protected append
# [zipped|not_zipped|vtk]
# [unix|windows|non_native]
overwrite
#
#
# Selection of the outputs
# ========================
# [legacy|verbose|terse]
# Restart data output? ('rest')
# Options: out_restart no_out_restart [wallclock time, h.]
no_out_restart
# Grain number output? ('korn')
# Options: out_grains no_out_grains
out_grains
# Phase number output? ('phas')
# Options: out_phases no_out_phases [no_interfaces]
no_out_phases
# Fraction output? ('frac')
# Options: out_fraction no_out_fraction [phase number]
no_out_fraction
# Average fraction table? ('TabF')
# Options: tab_fractions no_tab_fractions [front_temp] [TabL_steps]
no_tab_fractions
# Interface output? ('intf')
# Options: out_interface no_out_interface [sharp]
no_out_interface
# Driving-force output? ('driv')
# Options: out_driv_force no_out_driv_force
out_driv_force
# Interface mobility output? ('mueS')
# Options: out_mobility no_out_mobility
no_out_mobility
# Curvature output? ('krum')
# Options: out_curvature no_out_curvature
no_out_curvature
# Interface velocity output? ('vel')
# Options: out_velocity no_out_velocity
no_out_velocity
# Should the grain-time file be written out? ('TabK')
# Options: tab_grains no_tab_grains [extra|standard]
tab_grains
# Should the 'von Neumann Mullins' output be written out? ('TabN')
# Options: tab_vnm no_tab_vnm
no_tab_vnm
# Should the 'grain data output' be written out? ('TabGD')
# Options: tab_grain_data no_tab_grain_data
tab_grain_data
# Temperature output? ('temp')
# Options: out_temp no_out_temp
no_out_temp
# Recrystallisation energy output? ('rex')
# Options: out_recrystall no_out_recrystall
out_recrystall
# Recrystallised fraction output? ('TabR')
# Options: tab_recrystall no_tab_recrystall
no_tab_recrystall
# Dislocation density output? ('rhoD')
# Options: out_disloc no_out_disloc
no_out_disloc
# Miller-Indices output? ('mill')
# Options: out_miller no_out_miller
out_miller
# Orientation output? ('orie')
# Options: out_orientation no_out_orientation
out_orientation
# Should the orientation-time file be written? ('TabO')
# Options: tab_orientation no_tab_orientation [rotmat]
no_tab_orientation
# Should monitoring outputs be written out? ('TabL')
# Options: tab_log [simulation time, s] [wallclock time, min] no_tab_log
no_tab_log
#
#
# Time input data
# ===============
# Finish input of output times (in seconds) with 'end_of_simulation'
# 'regularly-spaced' outputs can be set with 'linear_step'
# or 'logarithmic_step' and then specifying the increment
# and end value
# ('automatic_outputs' optionally followed by the number
# of outputs can be used in conjuction with 'linear_from_file')
# 'first' : additional output for first time-step
# 'end_at_temperature' : additional output and end of simulation
# at given temperature
linear_step 0.5 5.
linear_step 1.0 10.
linear_step 2.0 20.
linear_step 5.0 60.
end_of_simulation
# Time-step?
# Options: fix ...[s] automatic automatic_limited
automatic
# Coefficient for phase-field criterion 1.00
# Number of steps to adjust profiles of initially sharp interfaces [exclude_inactive]?
30
#
#
# Phase data
# ==========
# Number of distinct solid phases?
1
#
# Data for phase 1:
# -----------------
# Simulation of recrystallisation in phase 1?
# Options: recrystall no_recrystall [verbose|no_verbose]
recrystall
# Which recrystallisation model?
# Options: energy mean_disloc local_disloc [all_interfaces]
energy
# Energy threshold for recrystallisation model? [J/cm**3 or MPa]
2.123E-03
# Is phase 1 anisotrop?
# Options: isotropic anisotropic faceted antifaceted
anisotropic
# Crystal symmetry of the phase?
# Options: none cubic hexagonal tetragonal orthorhombic
cubic
# Should grains of phase 1 be reduced to categories?
# Options: categorize no_categorize
no_categorize
#
# Orientation
# -----------
# How shall grain orientations be defined?
# Options: angle_2d euler_zxz angle_axis miller_indices quaternion
miller_indices
#
#
# Grain input
# ===========
# Type of grain positioning?
# Options: deterministic random [deterministic_infile] from_file
random
# Integer for randomization?
11
# Number of different types of grains?
4
# Number of grains of type 1?
5
# Number of grains of type 2?
5
# Number of grains of type 3?
4
# Number of grains of type 4?
5
# Input for grain type 1
# ----------------------
# Geometry of grain type 1
# Options: round rectangular elliptic
elliptic
# Minimal value of x-coordinates? [micrometers]
-10.0000
# Maximal value of x-coordinates? [micrometers]
510.000
# Minimal value of z-coordinates? [micrometers]
-10.0000
# Maximal value of z-coordinates? [micrometers]
510.000
# Minimal length of axis along x-axis? [micrometers]
360.000
# Maximal length of axis along x-axis? [micrometers]
370.000
# Minimal length of axis along z-axis? [micrometers]
140.000
# Maximal length of axis along z-axis? [micrometers]
150.000
# Should the Voronoi criterion for grains of type 1 be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number for grain type 1? (int)
1
# Input of minimal and maximal energy of the nuclei:
# Minimum of recrystallisation energy? [J/cm**3 or MPa]
6.90000E-02
# Maximum of recrystallisation energy? [J/cm**3 or MPa]
7.60000E-02
# Determination of grain orientations?
# Options: random fix fix_direction
fix
# Miller indices h,k,l or vector in y-direction [3 reals in one line]
+0.000 +0.000 +1.000
# Miller indices u,v,w or vector in z-direction [3 reals in one line]
+1.000 +1.000 +0.000
# Minimal distance between grains (real) [micrometers]?
100.00
# Input for grain type 2
# ----------------------
# Geometry of grain type 2
# Options: round rectangular elliptic
elliptic
# Minimal value of x-coordinates? [micrometers]
-10.0000
# Maximal value of x-coordinates? [micrometers]
510.000
# Minimal value of z-coordinates? [micrometers]
-10.0000
# Maximal value of z-coordinates? [micrometers]
510.000
# Minimal length of axis along x-axis? [micrometers]
360.000
# Maximal length of axis along x-axis? [micrometers]
370.000
# Minimal length of axis along z-axis? [micrometers]
140.000
# Maximal length of axis along z-axis? [micrometers]
150.000
# Should the Voronoi criterion for grains of type 2 be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number for grain type 2? (int)
1
# Input of minimal and maximal energy of the nuclei:
# Minimum of recrystallisation energy? [J/cm**3 or MPa]
7.70000E-02
# Maximum of recrystallisation energy? [J/cm**3 or MPa]
8.80000E-02
# Determination of grain orientations?
# Options: random fix fix_direction
fix
# Miller indices h,k,l or vector in y-direction [3 reals in one line]
+1.000 +1.000 +3.000
# Miller indices u,v,w or vector in z-direction [3 reals in one line]
+1.000 -1.000 +0.000
# Minimal distance between grains (real) [micrometers]?
100.00
# Input for grain type 3
# ----------------------
# Geometry of grain type 3
# Options: round rectangular elliptic
elliptic
# Minimal value of x-coordinates? [micrometers]
-10.0000
# Maximal value of x-coordinates? [micrometers]
510.000
# Minimal value of z-coordinates? [micrometers]
-10.0000
# Maximal value of z-coordinates? [micrometers]
510.000
# Minimal length of axis along x-axis? [micrometers]
360.000
# Maximal length of axis along x-axis? [micrometers]
370.000
# Minimal length of axis along z-axis? [micrometers]
140.000
# Maximal length of axis along z-axis? [micrometers]
150.000
# Should the Voronoi criterion for grains of type 3 be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number for grain type 3? (int)
1
# Input of minimal and maximal energy of the nuclei:
# Minimum of recrystallisation energy? [J/cm**3 or MPa]
8.90000E-02
# Maximum of recrystallisation energy? [J/cm**3 or MPa]
9.40000E-02
# Determination of grain orientations?
# Options: random fix fix_direction
fix_direction
# Global direction to be fixed
# Options: x (-> fixed Miller-indices QRS)
# y (-> fixed Miller-indices HKL)
# z (-> fixed Miller-indices UVW)
y
# Vector in y-direction (Miller-indices HKL) [3 reals in one line]
1.000 -0.407 -0.121
# Minimal distance between grains (real) [micrometers]?
100.00
# Input for grain type 4
# ----------------------
# Geometry of grain type 4
# Options: round rectangular elliptic
elliptic
# Minimal value of x-coordinates? [micrometers]
-10.0000
# Maximal value of x-coordinates? [micrometers]
510.000
# Minimal value of z-coordinates? [micrometers]
-10.0000
# Maximal value of z-coordinates? [micrometers]
510.000
# Minimal length of axis along x-axis? [micrometers]
360.000
# Maximal length of axis along x-axis? [micrometers]
370.000
# Minimal length of axis along z-axis? [micrometers]
140.000
# Maximal length of axis along z-axis? [micrometers]
150.000
# Should the Voronoi criterion for grains of type 4 be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number for grain type 4? (int)
1
# Input of minimal and maximal energy of the nuclei:
# Minimum of recrystallisation energy? [J/cm**3 or MPa]
9.50000E-02
# Maximum of recrystallisation energy? [J/cm**3 or MPa]
0.14000
# Determination of grain orientations?
# Options: random fix fix_direction
fix
# Miller indices h,k,l or vector in y-direction [3 reals in one line]
+1.000 +1.000 +0.000
# Miller indices u,v,w or vector in z-direction [3 reals in one line]
+1.000 -1.000 +0.000
# Minimal distance between grains (real) [micrometers]?
100.00
#
#
# Data for further nucleation
# ===========================
# Enable further nucleation?
# Options: nucleation nucleation_symm no_nucleation [verbose|no_verbose]
nucleation
# Additional output for nucleation?
# Options: out_nucleation no_out_nucleation
no_out_nucleation
#
# Number of types of seeds?
2
#
# 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|add_to_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrate phase [2nd phase in interface]?
# (set to 1 to disable the effect of substrate curvature)
1
# maximum number of new nuclei 1?
400
# Grain radius [micrometers]?
2.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# critical recrystallisation energy [J/cm**3 or MPa]?
6.90000E-02
# Determination of nuclei orientations?
# Options: random fix fix_direction parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
+0.000
# Maximal value of rotation angle? [Degree]
+15.00
# Referring to which coordinate system shall the rotation axis be defined?
# local (system of the crystal)
# global (system of the workpiece)
global
# Rotation axis? [3 reals in one line]
+0.000 +1.000 +0.000
# Shield effect:
# Shield time [s] [shield phase or group number] ?
20.00
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
25.000
# Input of minimal and maximal energy of the nuclei:
# Minimum of recrystallisation energy? [J/cm**3 or MPa]
0.0000
# Maximum of recrystallisation energy? [J/cm**3 or MPa]
0.0000
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
0.000000
# max. nucleation temperature for seed type 1 [K]
1473.000
# Time between checks for nucleation? [s]
1.50000E-02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
nucleation_noise
# Factor for random noise?
# (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT)
1.000E-04
#
# Input for seed type 2:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple [restrictive]
region
# Minimal value of x-coordinates? [micrometers]
0.0000
# Maximal value of x-coordinates? [micrometers]
500.00
# Minimal value of z-coordinates? [micrometers]
0.0000
# Maximal value of z-coordinates? [micrometers]
500.00
# Phase of new grains (integer) [unresolved|add_to_grain]?
1
# 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 2?
100
# Grain radius [micrometers]?
2.00000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# critical recrystallisation energy [J/cm**3 or MPa]?
9.50000E-02
# Determination of nuclei orientations?
# Options: random fix fix_direction parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
+20.00
# Maximal value of rotation angle? [Degree]
+25.00
# Referring to which coordinate system shall the rotation axis be defined?
# local (system of the crystal)
# global (system of the workpiece)
global
# Rotation axis? [3 reals in one line]
+0.000 +1.000 +0.000
# Shield effect:
# Shield time [s] [shield phase or group number] ?
20.00
# Shield distance [micrometers] [ nucleation distance [micrometers] ]?
25.000
# Input of minimal and maximal energy of the nuclei:
# Minimum of recrystallisation energy? [J/cm**3 or MPa]
0.0000
# Maximum of recrystallisation energy? [J/cm**3 or MPa]
0.0000
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
0.000000
# max. nucleation temperature for seed type 2 [K]
1473.000
# Time between checks for nucleation? [s]
1.50000E-02
# Shall random noise be applied?
# Options: nucleation_noise no_nucleation_noise
nucleation_noise
# Factor for random noise?
# (applied as DeltaT -> (1+Factor*(RAND-1/2))*DeltaT)
1.000E-04
#
# Seed for random-number generator initialisation
# -----------------------------------------------
1
#
# 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]
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]
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]
# [max. value for num. interface stabilisation [J/cm**2]]
5.00000E-05
# Type of mobility definition between phases 1 and 1?
# Options: constant temp_dependent dg_dependent thin_interface_correction [fixed_minimum]
constant
# Kinetic coefficient mu between phases 1 and 1 [ min. value ] [cm**4/(Js)] ?
0.005
# Shall misorientation be considered?
# Options: misorientation no_misorientation [transition LAB/HAB in degree]
misorientation 15.
# Input of the misorientation coefficients:
# Modification of surface energy for low angle boundaries
# Options: factor Read-Shockley
factor
# prefactor of surface energy:
0.20000
# Modification of the mobility for low angle boundaries
# Options: factor Humphreys [min_reduction + parameters B and N (default: min_red=0. B=5.0 N=4.0)]
factor
# prefactor of the mobility for low angle boundaries
0.10000
#
#
# Phase diagram - input data
# ==========================
#
#
# Boundary conditions
# ===================
# Type of temperature trend?
# Options: linear linear_from_file profiles_from_file
linear
# Number of connecting points? (integer)
0
# Initial temperature at the bottom? (real) [K]
1473.000
# Temperature gradient in z-direction? [K/cm]
0.0000
# Cooling rate? [K/s]
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: W E (S N, if 3D) B T borders
ppii
# 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?
5.00E-03
# Interface thickness (in cells)?
4.00
#
#


and here are the pictures of ReX_random_rex.
t=14.png
t=14.png (21.29 KiB) Viewed 1624 times
t=5.png
t=5.png (18.68 KiB) Viewed 1624 times
t=1.png
t=1.png (18.47 KiB) Viewed 1624 times
t=0.png
t=0.png (17.56 KiB) Viewed 1624 times
t=0.5.png
t=0.5.png (19.05 KiB) Viewed 1624 times

In picture t=0,There are two color grain boundaries, red and blue. The nuclei formed on the red grain boundary will not disappear, but it grows very slowly. The nuclei formed on the blue grain boundary and in the region will disappear, and finally only the grain boundary intersection can be nucleated and grown (picture t=14)

What should I do to stop the disappearance of all seeds, or to prevent the formation of red grain boundaries and its nucleation, I can accept pictures without red grain boundaries and nucleation (t=14). Even the seeds in the interface and region will disappear.


My english is a little poor,Excuse me for my poor English.I don't know if I explained my problem clearly. If not, please contact me.

Bernd
Posts: 1148
Joined: Mon Jun 23, 2008 9:29 pm

Re: some qustions of recrystallisation

Post by Bernd » Mon Apr 29, 2019 10:23 am

Dear sxxxf,

Welcome to the MICRESS Forum!

I think, the most relevant difference between your input file and the T037_ReX_random_dri.txt (that is the name in the new 6.4 version...) standard example is that you strongly reduced the recrystallisation energy. This already points to the most probable reason why it behaves differently: For growing properly, the seeds need to overcome the driving force which comes from curvature. This in your case turns out to be totally impossible for bulk nucleation, and is generally somewhat easier at interfaces, especially for the red low-angle boundaries: Here, due to the parent-relation nucleation with angles below 15°, the boundaries between the new seeds and the parent grain will always be low-angle bounadries, and thus the interface energy is reduced by a factor of 0.2 (according to the factor misorientation model). This allows the seeds to grow despite of the low recrystallisation energy.
The lower recrystallisation energies also explain the much slower growth of the 'successful' seeds in your case.

Thus, the solution is either to assume the recrystallisation energies to be higher (like in T037_ReX_random_dri.txt), or you assume the interface energies to be generally smaller. Alternatively, you also could increase the initial radius of the seeds, which would also help to overcome the curvature undercooling.

Bernd

Ferguson

Re: some qustions of recrystallisation

Post by Ferguson » Mon May 13, 2019 3:05 pm

recrystallisation for what kind of material ?stainless steel or ceram?

Admin: Identified as spam

Bernd
Posts: 1148
Joined: Mon Jun 23, 2008 9:29 pm

Re: some qustions of recrystallisation

Post by Bernd » Mon May 13, 2019 5:09 pm

Dear Ferguson,

Welcome to the MICRESS forum!

The T037_ReX_random_dri.txt training example is not focussing on a specific material. It just serves as a template for own work on recrystallisation. Linking to a specific material would require taking the specific material parameters for this material, either from literature or by calibration with experimental data.
Up to now we typically treated metallic materials like steels. To be honest, I personally have no idea whether recrystallisation in ceramics would follow similar rules, i.e. whether the models implemented in MICRESS would be valid - maybe, someone else can answer this question...

Bernd

sxxxf
Posts: 3
Joined: Thu Apr 25, 2019 5:55 pm
anti_bot: 333

Re: some qustions of recrystallisation

Post by sxxxf » Wed Jul 03, 2019 10:23 am

Dear Bernd,
Thank you very much for your reply, it helped me a lot.

sxxxf

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