Hi there,
I am trying to attach orientation to each grain for my grain growth simulations. I can do this task. I use Euler angles (ZXZ keyword) for orientation definition and my simulation domain is 2D. The simulation ends up successfully and I can see grain growth events. However, I cannot understand the output i.e. *millx, *milly, and *millz. the range of the numbers are from -10 to 5.3E5. What are these numbers? How can I scale (or convert) them to IPF colours?
Thanks,
Ali
Grain Orientation
Re: Grain Orientation/Miller Indices
If you choose output of Miller-Indices, you will get three output files: '*.millx', '*.milly' and '*.millz'
The '*.millx' file contains the miller-indices QRS,
the '*.milly' file contains the miller-indices HKL and
the '*.millz' file contains the miller-indices UVW.
(see Micress manual, volume 2, 4.3.1. page 65)
A difficulty is that the Micress output of miller-indices is coded in order to store the three integer values for each direction as a single value.
The coding is done by:
CodeQRS = 10000 * Q + 100 * R + S
CodeHKL = 10000 * H + 100 * K + L
CodeUVW = 10000 * U + 100 * V + W
The individual values can be restored by use of the modulo operation,
e.g:
S = CodeQRS mod 100
CodeQRS' = (CodeQRS-S)/100
R = CodeQRS' mod 100
Q = (CodeQRS'-R)/100
A former version of Display_Micress was able to do this decoding and to directly plot the inverse polar figue. However, since the miller output has not been requested by any customer for a long time, this feature somehow got lost, i.e. it has not yet been adopted to the new Display-Micress software. This should be done soon. For the time being I can only recommend to download the old Display-Micress version 6.1 from our webpage for this task.
Janin
The '*.millx' file contains the miller-indices QRS,
the '*.milly' file contains the miller-indices HKL and
the '*.millz' file contains the miller-indices UVW.
(see Micress manual, volume 2, 4.3.1. page 65)
A difficulty is that the Micress output of miller-indices is coded in order to store the three integer values for each direction as a single value.
The coding is done by:
CodeQRS = 10000 * Q + 100 * R + S
CodeHKL = 10000 * H + 100 * K + L
CodeUVW = 10000 * U + 100 * V + W
The individual values can be restored by use of the modulo operation,
e.g:
S = CodeQRS mod 100
CodeQRS' = (CodeQRS-S)/100
R = CodeQRS' mod 100
Q = (CodeQRS'-R)/100
A former version of Display_Micress was able to do this decoding and to directly plot the inverse polar figue. However, since the miller output has not been requested by any customer for a long time, this feature somehow got lost, i.e. it has not yet been adopted to the new Display-Micress software. This should be done soon. For the time being I can only recommend to download the old Display-Micress version 6.1 from our webpage for this task.
Janin
Re: Grain Orientation
Hi Janin;
Thank you so much for your reply. So, I'll try to go for an old version of DP-MICRESS.
Best Regards,
Ali
Thank you so much for your reply. So, I'll try to go for an old version of DP-MICRESS.
Best Regards,
Ali
-
shailendra
- Posts: 3
- Joined: Thu Feb 13, 2025 10:52 am
- anti_bot: 333
Re: Grain Orientation
Dear all,
I am using Micress 7.3. I simulate static recrystallization in 2D. I have few doubts.
1. I think that HKL represent grain normal direction on the rolling plane and UVW represent crystallographic direction along the rolling direction. What does QRS represent?
2. Does the 0 1 0 direction in the system of the workpiece (in the driving file as shown below) represent rolling direction?
3. How the grain boundary energy defined using Read-Shockley for low angle grain boundaries?
4. Can we output the grain orientation data in quaternion representation?
5. I want to make inverse pole figure plot for the grain orientation. It seems that the Display Micress 6.1 version is not available to download from the website.
6. Please provide me the PDF file of the Micress manual, volume 2.
7. Does the recrystallization energy in grain input data (in the driving file as shown below) refers to the strain energy of the grain?
My driving file is as follows:
#! Modified Micress-Training-Example: T11_02_ReXRandom
# Language
# ========
# Please select a language: 'English', 'Deutsch' or 'Francais'
English
# Output Location
# ===============
# Options: [ <directory path>/ ] <base name>
# The default result directory is the driving file location.
Results_ReX/ReX_Det
# Overwrite files with the same name?
# Options: overwrite write_protected append
# [zipped|not_zipped|vtk]
# [unix|windows|non_native]
overwrite
# Restart
# =======
# Restart using old results?
# Options: new restart [reset_time | with_flow]
new
# Geometry
# ========
# Grid size?
# (for 2D calculations: CellsY=1, for 1D calculations: CellsX=1, CellsY=1)
# Cells in X-direction (CellsX):
500
# 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
# Model
# =====
# Type of coupling?
# Options: phase concentration [volume_change] temperature temp_cyl_coord
# [stress] [flow] [flow_coarse] [dislocation]
phase
# Boundary Conditions
# ===================
# 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 B T
# (X: West-East, Y:South-North, Z:Bottom-Top)
ppii
# Phases
# ======
# Selection of Phases
# -------------------
# Phases can be added by user defined names.
# Options:
# <user defined name> [<alias>]
# 'end_of_phases' will finish the phase data input.
# Phase 0 (matrix phase)
matrix
# Phase 1
phase_1
# Phase 2
end_of_phases
# MICRESS phase indexing
# 0 -> MATRIX (user), alias = MATRIX
# 1 -> PHASE_1 (user), alias = PHASE_1
# Input/Output Format for Orientations
# ------------------------------------
# How shall grain orientations be defined?
# Options: angle_2d euler_zxz angle_axis miller_indices quaternion
quaternion
# Phase Properties
# ----------------
# Phase 0 ( MATRIX )
# ------------------
# Phase 1 ( PHASE_1 )
# -------------------
# Simulation of recrystallisation in phase 1 (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]
2.1230000000000E-03
# Is phase 1 (PHASE_1) anisotropic ?
# Optionen: isotropic anisotropic faceted_a faceted_b faceted[_c] antifaceted
anisotropic
# Crystal symmetry of phase 1 (PHASE_1) ?
# Options: none cubic hexagonal tetragonal orthorhombic
cubic
# Should grains of phase 1 (PHASE_1) be reduced to categories?
# Options: categorize no_categorize
no_categorize
# Phase Interactions
# ==================
# Start legacy mode by entering keyword 'phase_interaction' or 'no_phase_interaction'.
# Start terse mode with 2 phase IDs and keyword 'phase_interaction' in one line.
# Finish terse mode input with 'end_phase_interactions'.
# 0 (MATRIX) / 1 (PHASE_1)
# --------------------------
# Simulation of interaction between 0 (MATRIX) and 1 (PHASE_1)?
# Options:
# phase_interaction
# [ standard | particle_pinning[_temperature] | solute_drag ]
# [ no_junction_force ]
# | no_phase_interaction
# [ junction_force ]
# [ phase_diagram ]
no_phase_interaction
# 1 (PHASE_1) / 1 (PHASE_1)
# ---------------------------
# Simulation of interaction between 1 (PHASE_1) and 1 (PHASE_1)?
# Options:
# phase_interaction
# [ standard | particle_pinning[_temperature] | solute_drag ]
# [ no_junction_force ]
# | no_phase_interaction
# [ junction_force ]
# | identical <phase1> <phase2>
phase_interaction
# Type of interfacial energy definition between 1 (PHASE_1) and 1 (PHASE_1) ?
# Options: constant temp_dependent
constant
# Interfacial energy between 1 (PHASE_1) and 1 (PHASE_1) ? [J/cm**2]
# [max. value for num. interface stabilisation [J/cm**2]]
5.00000E-05
# Type of mobility definition between PHASE_1 and PHASE_1?
# Options: constant temp_dependent dg_dependent [fixed_minimum]
constant
# Kinetic coefficient mu between PHASE_1 and PHASE_1 [cm**4/(Js)] ?
5.00000E-04
# Shall misorientation be considered?
# Options: misorientation no_misorientation
# [low_angle_limit <degrees (default=15)>] [special_orient <nb>]
misorientation 15.
# Input of the misorientation coefficients:
# Modification of interfacial energy for low angle boundaries
# Options: factor read-shockley
factor
# Prefactor of interfacial energy for low angle boundaries?
0.2000000000000
# Modification of the mobility for low angle boundaries
# Options: {factor | humphreys [<minimum> | <minimum> <parameter B> <parameter N>]}
# (default: minimum=0.05 B=5.0 N=4.0)
factor
# Prefactor of interfacial mobility for low angle boundaries?
0.1000000000000
# Initial Microstructure
# ======================
# Type of grain positioning?
# Options: deterministic random [deterministic_infile] from_file
deterministic
# Number of different types of grains?
20
# Grain number 1
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.0000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
24.24000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.574357 0.029489 -0.016571 0.817906
# Grain number 2
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
27.200000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.348606 0.543445 0.270084 0.714279
# Grain number 3
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
23.4100000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.681204 0.150456 0.034942 0.715614
# Grain number 4
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
24.9500000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.215501 0.602645 0.003072 0.768354
# Grain number 5
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
26.890000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.590936 0.006348 0.007305 0.806661
# Grain number 6
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
25.58000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.996985 0.028744 0.011124 0.071206
# Grain number 7
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
125.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.3400000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.644867 0.004615 -0.013965 0.764153
# Grain number 8
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.500000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
23.6400000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.766567 -0.009388 0.000069 0.642096
# Grain number 9
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
125.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
24.4700000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.909735 0.414791 0.003195 -0.017893
# Grain number 10
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
23.410000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.645588 -0.010044 -0.026005 0.763177
# Grain number 11
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
120.0000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.80000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.723384 0.031694 0.010957 0.689631
# Grain number 12
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
26.7100000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.701728 0.708639 -0.018937 0.071064
# Grain number 13
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
125.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
25.500000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.752423 0.048899 -0.016708 0.656650
# Grain number 14
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.8500000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.554475 -0.017293 0.000543 0.832020
# Grain number 15
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
120.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.960000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.709924 0.700072 -0.074932 -0.017126
# Grain number 16
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
25.87000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.770288 0.621787 -0.131367 0.052726
# Grain number 17
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.00000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.0600000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.718964 0.113096 0.099107 0.678585
# Grain number 18
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.500000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.3700000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.522969 0.575818 0.450584 0.438077
# Grain number 19
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
21.1300000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.705442 -0.016013 -0.004544 0.708573
# Grain number 20
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.060000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.650847 0.056156 -0.008484 0.757081
# Process Conditions
# ==================
# Temperature
# -----------
# Type of temperature trend?
# Options: constant_rate time_dependent [from_file] profiles_from_file
constant_rate
# Initial temperature at the bottom? (real) [K]
1173.000000000
# Temperature gradient in z-direction? [K/cm]
# Options: constant time_dependent [from_file]
constant
# Value?
0.000000000000
# Temperature rate? [K/s]
-1.000000000000
# Moving frame
# ------------
# Moving-frame system in z-direction?
# Options: moving_frame no_moving_frame
no_moving_frame
# 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 front [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain|split_from_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrate phase [2nd substrate phase] [substrate_curvature]?
1
# Maximum number of new nuclei of seed type 1?
# (set negative for unlimited number)
100
# Grain radius [micrometers]?
0.700000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# critical recrystallisation energy [J/cm**3 or MPa]?
1.5000
# Determination of nuclei orientations?
# Options: random fix fix_direction parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
0.000000000000
# Maximal value of rotation angle? [Degree]
15.00000000000
# 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] ?
100.00
# Shield distance [micrometers] [ nucleation distance [micrometers] ] ?
25.000
# not set
# Energy range? <min> <max> [<step>]
0.000000000000
# for grain type? <min> <max> [<step>]
0.000000000000
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
1171.50000000
# max. nucleation temperature for seed type 1 [K]
1174.000000000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [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)
1.0000000000000E-03
# Input for seed type 2:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple front [restrictive]
region
# Minimal value of x-coordinates? [micrometers]
0.0000
# Maximal value of x-coordinates? [micrometers]
250.00
# 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|split_from_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Which nucleation model shall be used?
# Options: seed_undercooling seed_density [ lognormal_1 | lognormal_2 ]
seed_undercooling
# Maximum number of new nuclei of seed type 2?
# (set negative for unlimited number)
100
# Grain radius [micrometers]?
0.700000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# critical recrystallisation energy [J/cm**3 or MPa]?
2.5000
# Determination of nuclei orientations?
# Options: random fix fix_direction parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
20.00000000000
# Maximal value of rotation angle? [Degree]
25.00000000000
# 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] ?
100.00
# Shield distance [micrometers] [ nucleation distance [micrometers] ] ?
25.000
# not set
# Energy range? <min> <max> [<step>]
0.000000000000
# for grain type? <min> <max> [<step>]
0.000000000000
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
1171.50000000
# max. nucleation temperature for seed type 2 [K]
1174.000000000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [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)
1.0000000000000E-03
# Seed for random-number generator initialisation
# -----------------------------------------------
7
# Max. number of simultaneous nucleations?
# ----------------------------------------
# (set to 0 for automatic)
5
# Shall metastable small seeds be killed?
# Options: kill_metastable no_kill_metastable
no_kill_metastable
# Output
# ======
# Output times
# ------------
# 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 conjunction with 'linear_from_file')
# 'first' : additional output for first time-step
# 'end_at_temperature' <temp> : additional output and end of simulation
# at given temperature
# 'end_at_fraction' <phase><frac> : additional output and end of simulation
# at given phase fraction
# 'suppress_at_full' <phase> : no field output for phase fraction of 100%
linear_step 0.1 0.5
linear_step 0.5 5.
linear_step 1.0 10.
linear_step 2.0 20.
linear_step 5.0 50.
linear_step 10.0 100.
end_of_simulation
# Number of intermediate outputs = 22
#
# Output files
# ------------
# 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]
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]
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
no_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]
no_tab_grains
# Should the 'von Neumann Mullins' output be written out? ('TabN')
# Options: tab_vnm no_tab_vnm
no_tab_vnm
# Should the 'grain data output' be written out? ('TabGD')
# Options: tab_grain_data no_tab_grain_data
no_tab_grain_data
# Temperature output? ('temp')
# Options: out_temp no_out_temp
no_out_temp
# 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
# Nucleation events output? ('TabNuc')
# Options: tab_nucleation no_tab_nucleation
tab_nucleation
# Should monitoring outputs be written out? ('TabL')
# Options: tab_log [<simulation time [s]>] [<wallclock time [min]> (default 5 min)] no_tab_log
no_tab_log
# Numerical parameters
# ====================
#
# Phase field solver
# ------------------
# 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
# Type of potential?
# Options: double_obstacle multi_obstacle [no_fd_correction | fd_correction]
# Recommended: multi_obstacle fd_correction
multi_obstacle fd_correction
# Phase minimum?
5.00E-03
# Interface thickness (in cells)?
4.000000000000
# 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
#
Thank you
I am using Micress 7.3. I simulate static recrystallization in 2D. I have few doubts.
1. I think that HKL represent grain normal direction on the rolling plane and UVW represent crystallographic direction along the rolling direction. What does QRS represent?
2. Does the 0 1 0 direction in the system of the workpiece (in the driving file as shown below) represent rolling direction?
3. How the grain boundary energy defined using Read-Shockley for low angle grain boundaries?
4. Can we output the grain orientation data in quaternion representation?
5. I want to make inverse pole figure plot for the grain orientation. It seems that the Display Micress 6.1 version is not available to download from the website.
6. Please provide me the PDF file of the Micress manual, volume 2.
7. Does the recrystallization energy in grain input data (in the driving file as shown below) refers to the strain energy of the grain?
My driving file is as follows:
#! Modified Micress-Training-Example: T11_02_ReXRandom
# Language
# ========
# Please select a language: 'English', 'Deutsch' or 'Francais'
English
# Output Location
# ===============
# Options: [ <directory path>/ ] <base name>
# The default result directory is the driving file location.
Results_ReX/ReX_Det
# Overwrite files with the same name?
# Options: overwrite write_protected append
# [zipped|not_zipped|vtk]
# [unix|windows|non_native]
overwrite
# Restart
# =======
# Restart using old results?
# Options: new restart [reset_time | with_flow]
new
# Geometry
# ========
# Grid size?
# (for 2D calculations: CellsY=1, for 1D calculations: CellsX=1, CellsY=1)
# Cells in X-direction (CellsX):
500
# 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
# Model
# =====
# Type of coupling?
# Options: phase concentration [volume_change] temperature temp_cyl_coord
# [stress] [flow] [flow_coarse] [dislocation]
phase
# Boundary Conditions
# ===================
# 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 B T
# (X: West-East, Y:South-North, Z:Bottom-Top)
ppii
# Phases
# ======
# Selection of Phases
# -------------------
# Phases can be added by user defined names.
# Options:
# <user defined name> [<alias>]
# 'end_of_phases' will finish the phase data input.
# Phase 0 (matrix phase)
matrix
# Phase 1
phase_1
# Phase 2
end_of_phases
# MICRESS phase indexing
# 0 -> MATRIX (user), alias = MATRIX
# 1 -> PHASE_1 (user), alias = PHASE_1
# Input/Output Format for Orientations
# ------------------------------------
# How shall grain orientations be defined?
# Options: angle_2d euler_zxz angle_axis miller_indices quaternion
quaternion
# Phase Properties
# ----------------
# Phase 0 ( MATRIX )
# ------------------
# Phase 1 ( PHASE_1 )
# -------------------
# Simulation of recrystallisation in phase 1 (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]
2.1230000000000E-03
# Is phase 1 (PHASE_1) anisotropic ?
# Optionen: isotropic anisotropic faceted_a faceted_b faceted[_c] antifaceted
anisotropic
# Crystal symmetry of phase 1 (PHASE_1) ?
# Options: none cubic hexagonal tetragonal orthorhombic
cubic
# Should grains of phase 1 (PHASE_1) be reduced to categories?
# Options: categorize no_categorize
no_categorize
# Phase Interactions
# ==================
# Start legacy mode by entering keyword 'phase_interaction' or 'no_phase_interaction'.
# Start terse mode with 2 phase IDs and keyword 'phase_interaction' in one line.
# Finish terse mode input with 'end_phase_interactions'.
# 0 (MATRIX) / 1 (PHASE_1)
# --------------------------
# Simulation of interaction between 0 (MATRIX) and 1 (PHASE_1)?
# Options:
# phase_interaction
# [ standard | particle_pinning[_temperature] | solute_drag ]
# [ no_junction_force ]
# | no_phase_interaction
# [ junction_force ]
# [ phase_diagram ]
no_phase_interaction
# 1 (PHASE_1) / 1 (PHASE_1)
# ---------------------------
# Simulation of interaction between 1 (PHASE_1) and 1 (PHASE_1)?
# Options:
# phase_interaction
# [ standard | particle_pinning[_temperature] | solute_drag ]
# [ no_junction_force ]
# | no_phase_interaction
# [ junction_force ]
# | identical <phase1> <phase2>
phase_interaction
# Type of interfacial energy definition between 1 (PHASE_1) and 1 (PHASE_1) ?
# Options: constant temp_dependent
constant
# Interfacial energy between 1 (PHASE_1) and 1 (PHASE_1) ? [J/cm**2]
# [max. value for num. interface stabilisation [J/cm**2]]
5.00000E-05
# Type of mobility definition between PHASE_1 and PHASE_1?
# Options: constant temp_dependent dg_dependent [fixed_minimum]
constant
# Kinetic coefficient mu between PHASE_1 and PHASE_1 [cm**4/(Js)] ?
5.00000E-04
# Shall misorientation be considered?
# Options: misorientation no_misorientation
# [low_angle_limit <degrees (default=15)>] [special_orient <nb>]
misorientation 15.
# Input of the misorientation coefficients:
# Modification of interfacial energy for low angle boundaries
# Options: factor read-shockley
factor
# Prefactor of interfacial energy for low angle boundaries?
0.2000000000000
# Modification of the mobility for low angle boundaries
# Options: {factor | humphreys [<minimum> | <minimum> <parameter B> <parameter N>]}
# (default: minimum=0.05 B=5.0 N=4.0)
factor
# Prefactor of interfacial mobility for low angle boundaries?
0.1000000000000
# Initial Microstructure
# ======================
# Type of grain positioning?
# Options: deterministic random [deterministic_infile] from_file
deterministic
# Number of different types of grains?
20
# Grain number 1
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.0000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
24.24000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.574357 0.029489 -0.016571 0.817906
# Grain number 2
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
27.200000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.348606 0.543445 0.270084 0.714279
# Grain number 3
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
23.4100000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.681204 0.150456 0.034942 0.715614
# Grain number 4
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
24.9500000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.215501 0.602645 0.003072 0.768354
# Grain number 5
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
62.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
26.890000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.590936 0.006348 0.007305 0.806661
# Grain number 6
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
25.58000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.996985 0.028744 0.011124 0.071206
# Grain number 7
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
125.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.3400000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.644867 0.004615 -0.013965 0.764153
# Grain number 8
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.500000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
23.6400000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.766567 -0.009388 0.000069 0.642096
# Grain number 9
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
125.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
24.4700000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.909735 0.414791 0.003195 -0.017893
# Grain number 10
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
187.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
23.410000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.645588 -0.010044 -0.026005 0.763177
# Grain number 11
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
120.0000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.80000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.723384 0.031694 0.010957 0.689631
# Grain number 12
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
26.7100000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.701728 0.708639 -0.018937 0.071064
# Grain number 13
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
125.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
25.500000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.752423 0.048899 -0.016708 0.656650
# Grain number 14
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.8500000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.554475 -0.017293 0.000543 0.832020
# Grain number 15
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
312.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
120.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.960000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.709924 0.700072 -0.074932 -0.017126
# Grain number 16
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
25.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
25.87000000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.770288 0.621787 -0.131367 0.052726
# Grain number 17
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
75.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.00000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.0600000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.718964 0.113096 0.099107 0.678585
# Grain number 18
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
125.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.500000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.3700000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.522969 0.575818 0.450584 0.438077
# Grain number 19
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
rectangular
# Center x,z coordinates [micrometers], grain number 1?
175.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
50.000000000
# Length of axis along z-axis [micrometers]
130.000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
21.1300000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.705442 -0.016013 -0.004544 0.708573
# Grain number 20
# --------------
# Geometry?
# Options: round rectangular elliptic round_inverse
elliptic
# Center x,z coordinates [micrometers], grain number 1?
225.0000000000
437.500000000
# Length of axis along x-axis [micrometers]
75.000000000
# Length of axis along z-axis [micrometers]
187.5000000000
# Should the Voronoi criterion be applied?
# Options: voronoi no_voronoi
voronoi
# Phase number? [grain group] (integer)
1
# Recrystallisation energy?
22.060000000
# Quaternion components? (4 real values per line)
# q(0) = cos(angle/2), q(1:3) = axis(1:3) * sin(angle/2)
0.650847 0.056156 -0.008484 0.757081
# Process Conditions
# ==================
# Temperature
# -----------
# Type of temperature trend?
# Options: constant_rate time_dependent [from_file] profiles_from_file
constant_rate
# Initial temperature at the bottom? (real) [K]
1173.000000000
# Temperature gradient in z-direction? [K/cm]
# Options: constant time_dependent [from_file]
constant
# Value?
0.000000000000
# Temperature rate? [K/s]
-1.000000000000
# Moving frame
# ------------
# Moving-frame system in z-direction?
# Options: moving_frame no_moving_frame
no_moving_frame
# 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 front [restrictive]
interface
# Phase of new grains (integer) [unresolved|add_to_grain|split_from_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Substrate phase [2nd substrate phase] [substrate_curvature]?
1
# Maximum number of new nuclei of seed type 1?
# (set negative for unlimited number)
100
# Grain radius [micrometers]?
0.700000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# critical recrystallisation energy [J/cm**3 or MPa]?
1.5000
# Determination of nuclei orientations?
# Options: random fix fix_direction parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
0.000000000000
# Maximal value of rotation angle? [Degree]
15.00000000000
# 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] ?
100.00
# Shield distance [micrometers] [ nucleation distance [micrometers] ] ?
25.000
# not set
# Energy range? <min> <max> [<step>]
0.000000000000
# for grain type? <min> <max> [<step>]
0.000000000000
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
1171.50000000
# max. nucleation temperature for seed type 1 [K]
1174.000000000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [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)
1.0000000000000E-03
# Input for seed type 2:
# ----------------------
# Type of 'position' of the seeds?
# Options: bulk region interface triple quadruple front [restrictive]
region
# Minimal value of x-coordinates? [micrometers]
0.0000
# Maximal value of x-coordinates? [micrometers]
250.00
# 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|split_from_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
1
# Which nucleation model shall be used?
# Options: seed_undercooling seed_density [ lognormal_1 | lognormal_2 ]
seed_undercooling
# Maximum number of new nuclei of seed type 2?
# (set negative for unlimited number)
100
# Grain radius [micrometers]?
0.700000
# Choice of growth mode:
# Options: stabilisation analytical_curvature
stabilisation
# critical recrystallisation energy [J/cm**3 or MPa]?
2.5000
# Determination of nuclei orientations?
# Options: random fix fix_direction parent_relation
parent_relation
# Minimal value of rotation angle? [Degree]
20.00000000000
# Maximal value of rotation angle? [Degree]
25.00000000000
# 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] ?
100.00
# Shield distance [micrometers] [ nucleation distance [micrometers] ] ?
25.000
# not set
# Energy range? <min> <max> [<step>]
0.000000000000
# for grain type? <min> <max> [<step>]
0.000000000000
# Nucleation range
# min. nucleation temperature for seed type 2 [K]
1171.50000000
# max. nucleation temperature for seed type 2 [K]
1174.000000000
# Time between checks for nucleation? [s]
# Options: constant from_file
constant
# Time interval [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)
1.0000000000000E-03
# Seed for random-number generator initialisation
# -----------------------------------------------
7
# Max. number of simultaneous nucleations?
# ----------------------------------------
# (set to 0 for automatic)
5
# Shall metastable small seeds be killed?
# Options: kill_metastable no_kill_metastable
no_kill_metastable
# Output
# ======
# Output times
# ------------
# 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 conjunction with 'linear_from_file')
# 'first' : additional output for first time-step
# 'end_at_temperature' <temp> : additional output and end of simulation
# at given temperature
# 'end_at_fraction' <phase><frac> : additional output and end of simulation
# at given phase fraction
# 'suppress_at_full' <phase> : no field output for phase fraction of 100%
linear_step 0.1 0.5
linear_step 0.5 5.
linear_step 1.0 10.
linear_step 2.0 20.
linear_step 5.0 50.
linear_step 10.0 100.
end_of_simulation
# Number of intermediate outputs = 22
#
# Output files
# ------------
# 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]
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]
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
no_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]
no_tab_grains
# Should the 'von Neumann Mullins' output be written out? ('TabN')
# Options: tab_vnm no_tab_vnm
no_tab_vnm
# Should the 'grain data output' be written out? ('TabGD')
# Options: tab_grain_data no_tab_grain_data
no_tab_grain_data
# Temperature output? ('temp')
# Options: out_temp no_out_temp
no_out_temp
# 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
# Nucleation events output? ('TabNuc')
# Options: tab_nucleation no_tab_nucleation
tab_nucleation
# Should monitoring outputs be written out? ('TabL')
# Options: tab_log [<simulation time [s]>] [<wallclock time [min]> (default 5 min)] no_tab_log
no_tab_log
# Numerical parameters
# ====================
#
# Phase field solver
# ------------------
# 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
# Type of potential?
# Options: double_obstacle multi_obstacle [no_fd_correction | fd_correction]
# Recommended: multi_obstacle fd_correction
multi_obstacle fd_correction
# Phase minimum?
5.00E-03
# Interface thickness (in cells)?
4.000000000000
# 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
#
Thank you
Re: Grain Orientation
Dear Shailendra,
let me answer a few of your technical questions.
ad 4)
Activate the orientation tabular output ('tab_orientation') to get the orientation per grain in quaternions. For 5) also the grain IDs are necessary ('out_grains')
ad 5)
Indeed, we removed the download for DP 6.1 from our website.
The tool is not maintained for more than 10 years. According to my tests, it will not work on newer Windows systems. It can be used on Linux systems with some installation effort. However, this is not recommended.
Now, the good news!
We provide a Python solution with using the new Python package 'micpy' (also on PyPI) and the 'orix' package: https://docs.micress.de/micpy/user-guid ... e-figures/.
ad 6)
We do not provide a PDF version of the manuals anymore. You can use the offline html version from your MICRESS installation instead (MICRESS/Manuals/index.html).
Best,
Ralph
let me answer a few of your technical questions.
ad 4)
Activate the orientation tabular output ('tab_orientation') to get the orientation per grain in quaternions. For 5) also the grain IDs are necessary ('out_grains')
ad 5)
Indeed, we removed the download for DP 6.1 from our website.
The tool is not maintained for more than 10 years. According to my tests, it will not work on newer Windows systems. It can be used on Linux systems with some installation effort. However, this is not recommended.
Now, the good news!
We provide a Python solution with using the new Python package 'micpy' (also on PyPI) and the 'orix' package: https://docs.micress.de/micpy/user-guid ... e-figures/.
ad 6)
We do not provide a PDF version of the manuals anymore. You can use the offline html version from your MICRESS installation instead (MICRESS/Manuals/index.html).
Best,
Ralph
Re: Grain Orientation
1. What does QRS represent?
- QRS is the transverse direction (TD), (Micress X-axis, 100)
- HKL is the normal direction (ND), (Micress Y-axis, 010)
- UVW is the rolling direction (RD), (Micress Z-axis, 001)
QRS is completely specified by HKL and UVW, because all vectors are orthogonal to each other.
2. Does the 0 1 0 direction in the system of the workpiece (in the driving file as shown below) represent rolling direction?
In this example, the 0 1 0 direction (Y-axis) represents the normal direction (ND).
(In case of a differing macroscopic definition, you have to convert the orientations.)
3. How the grain boundary energy defined using Read-Shockley for low angle grain boundaries?
You can find the formula in the manual.
https://docs.micress.de/7.3/micress/inp ... rientation
4.-6. (Already answered by Ralph.)
7. Does the recrystallization energy in grain input data (in the driving file as shown below) refers to the strain energy of the grain?
I'm not sure about your definition of "strain energy". In Micress, the "stored energy" generally sums up all the energy which is stored in a deformed crystal and can be released by recrystallization. Typically, the energy is assumed to be stored in form of dislocations or subgrains.
Regards,
Janin
- QRS is the transverse direction (TD), (Micress X-axis, 100)
- HKL is the normal direction (ND), (Micress Y-axis, 010)
- UVW is the rolling direction (RD), (Micress Z-axis, 001)
QRS is completely specified by HKL and UVW, because all vectors are orthogonal to each other.
2. Does the 0 1 0 direction in the system of the workpiece (in the driving file as shown below) represent rolling direction?
In this example, the 0 1 0 direction (Y-axis) represents the normal direction (ND).
(In case of a differing macroscopic definition, you have to convert the orientations.)
3. How the grain boundary energy defined using Read-Shockley for low angle grain boundaries?
You can find the formula in the manual.
https://docs.micress.de/7.3/micress/inp ... rientation
4.-6. (Already answered by Ralph.)
7. Does the recrystallization energy in grain input data (in the driving file as shown below) refers to the strain energy of the grain?
I'm not sure about your definition of "strain energy". In Micress, the "stored energy" generally sums up all the energy which is stored in a deformed crystal and can be released by recrystallization. Typically, the energy is assumed to be stored in form of dislocations or subgrains.
Regards,
Janin