T002_AlCu_Equiaxed.in

#
# Automatic 'Driving File' written out by MICRESS.
#
#
#
# MICRESS binary
# ==============
# version number: 6.400 (Linux)
# compiled: 01/17/2018
# compiler version: Intel 1400 20140120
# executable architecture: x64
# Thermo-Calc coupling: enabled
#    Version:    19
#    Link Date:  20-03-2017 12:28:00
#    OS Name:    Linux
#    Build Date: 10716
#    Compiler:   ifort (IFORT) 14.0.2 20140120
# OpenMP: disabled
# shell: /bin/tcsh
# ('double precision' binary)
#
#
# Language settings
# =================
# Please select a language: 'English', 'Deutsch' or 'Francais'
English
#
#
# Flags and settings
# ==================
#
# Geometry
# --------
# Grid size?
# (for 2D calculations: CellsY=1, for 1D calculations: CellsX=1, CellsY=1)
# Cells in X-direction (CellsX):
300
# Cells in Y-direction (CellsY):
1
# Cells in Z-direction (CellsZ):
300
# Cell dimension (grid spacing in micrometers):
# (optionally followed by rescaling factor for the output in the form of '3/4')
2.0000
#
# Flags
# -----
# Type of coupling?
# Options:  phase  concentration [volume_change] temperature  temp_cyl_coord
#    [stress] [stress_coupled] [flow] [flow_coarse] [dislocation]
concentration
# Type of potential?
# Options:  double_obstacle  multi_obstacle   [fd_correction]
double_obstacle fd_correction
# Enable one dimensional far field approximation for diffusion?
# Options:     1d_far_field   1d_far_field_EW  no_1d_far_field
no_1d_far_field
# Shall an additional 1D field be defined in z direction
# for temperature coupling?
# Options:  no_1d_temp  1d_temp  1d_temp_cylinder  1d_temp_polar [kin. Coeff]
# kin. Coeff: Kinetics of latent heat release (default is 0.01)
no_1d_temp
#
# Phase field data structure
# --------------------------
# Coefficient for initial dimension of field iFace
#  [minimum usage] [target usage]
0.1
# Coefficient for initial dimension of field nTupel
#  [minimum usage] [target usage]
0.1
#
#
# Restart options
# ===============
# Restart using old results?
# Options:    new       restart [reset_time | structure_only]
new
#
#
# Name of output files
# ====================
# Name of result files?
Results_AlCu/T002_AlCu_Equiaxed
# 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.]
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]
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]
out_interface
# Driving-force output?                                ('driv')
# Options:     out_driv_force   no_out_driv_force
out_driv_force
# Number of relinearisation output?                    ('numR')
# Options:     out_relin    no_out_relin
no_out_relin
# Interface mobility output?                           ('mueS')
# Options:     out_mobility     no_out_mobility
out_mobility
# Curvature output?                                    ('krum')
# Options:     out_curvature    no_out_curvature
out_curvature
# Interface velocity output?                           ('vel')
# Options:     out_velocity     no_out_velocity
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
no_tab_grain_data
# Temperature output?                                  ('temp')
# Options:     out_temp         no_out_temp
no_out_temp
# Concentration output?                                ('conc')
# Options:  out_conc  no_out_conc  [component numbers]  [element_extensions]
out_conc
# Concentration of reference phase output?             ('cPha')
# Options:  out_conc_phase  no_out_conc_phase
#   phase 0 [component numbers (default = all)] | ...
#   ... | phase n [component numbers] [element_extensions]
out_conc_phase 0
# Output for phase: 0  Concentrations: All
# Average concentration per phase (and extrema)?       ('TabC')
# Options:     tab_conc       no_tab_conc
tab_conc
# Recrystallisation energy output?                     ('rex')
# Options:     out_recrystall   no_out_recrystall
no_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
no_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]
tab_orientation
# Linearisation output?     ('TabLin')
# Options:    tab_lin  no_tab_lin
tab_lin
# Should monitoring outputs be written out?            ('TabL')
# Options:     tab_log [simulation time, s] [wallclock time, min]  no_tab_log
tab_log 0.002
#
#
# Time input data
# ===============
# Finish input of output times (in seconds) with 'end_of_simulation'
# 'regularly-spaced' outputs can be set with 'linear_step'
# or 'logarithmic_step' and then specifying the increment
# and end value
# ('automatic_outputs' optionally followed by the number
#  of outputs can be used in conjuction with 'linear_from_file')
#  'first'                  : additional output for first time-step
#  'end_at_temperature'    : additional output and end of simulation
#                             at given temperature
linear_step 0.1 2.
end_at_temperature 900.
end_of_simulation
# Time-step?
# Options:   fix ...[s]   automatic    automatic_limited
automatic_limited
# Options:   constant      from_file
constant
# Limits: (real) min./s, [max./s], [phase-field factor], [segregation factor]
1.E-6 1.E-2
# Coefficient for phase-field criterion 1.00
# Coefficient for segregation criterion 0.900
# Number of steps to adjust profiles of initially sharp interfaces [exclude_inactive]?
0
#
#
# 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]
no_recrystall
# Is phase 1 anisotrop?
# Options: isotropic  anisotropic  faceted_a faceted_b  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
angle_2d
#
#
# Grain input
# ===========
# Type of grain positioning?
# Options:  deterministic   random [deterministic_infile]   from_file
deterministic
# NB: the origin of coordinate system is the bottom left-hand corner,
#     all points within the simulation domain having positive coordinates.
# Number of grains at the beginning?
0
#
#
# 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?
1
#
# Input for seed type 1:
# ----------------------
# Type of 'position' of the seeds?
# Options:   bulk  region  interface  triple  quadruple  front  [restrictive]
bulk
# Phase of new grains (integer) [unresolved|add_to_grain]?
1
# Reference phase (integer) [min. and max. fraction (real)]?
0
# Which nucleation model shall be used?
# Options:    seed_undercooling    seed_density
seed_density
# Integer for randomization?
13
# How many classes shall be chosen for the critical radius?
10
# Specify radius [micrometers] and seed density [cm**-3] for class  1
0.45    1000
# Specify radius [micrometers] and seed density [cm**-3] for class  2
0.3    2000
# Specify radius [micrometers] and seed density [cm**-3] for class  3
0.25    5000
# Specify radius [micrometers] and seed density [cm**-3] for class  4
0.18   10000
# Specify radius [micrometers] and seed density [cm**-3] for class  5
0.15   20000
# Specify radius [micrometers] and seed density [cm**-3] for class  6
0.12   50000
# Specify radius [micrometers] and seed density [cm**-3] for class  7
0.10  90000
# Specify radius [micrometers] and seed density [cm**-3] for class  8
0.08  140000
# Specify radius [micrometers] and seed density [cm**-3] for class  9
0.07  250000
# Specify radius [micrometers] and seed density [cm**-3] for class 10
0.06  500000
# Class   1:    1 seed(s), 3.7500E-01 < radii < 5.2500E-01 [micrometers]
# Class   2:    0 seed(s), 2.7500E-01 < radii < 3.7500E-01 [micrometers]
# Class   3:    1 seed(s), 2.1500E-01 < radii < 2.7500E-01 [micrometers]
# Class   4:    2 seed(s), 1.6500E-01 < radii < 2.1500E-01 [micrometers]
# Class   5:    3 seed(s), 1.3500E-01 < radii < 1.6500E-01 [micrometers]
# Class   6:    5 seed(s), 1.1000E-01 < radii < 1.3500E-01 [micrometers]
# Class   7:    7 seed(s), 9.0000E-02 < radii < 1.1000E-01 [micrometers]
# Class   8:   10 seed(s), 7.5000E-02 < radii < 9.0000E-02 [micrometers]
# Class   9:   14 seed(s), 6.5000E-02 < radii < 7.5000E-02 [micrometers]
# Class  10:   22 seed(s), 1.0000E-08 < radii < 6.5000E-02 [micrometers]
# Determination of nuclei orientations?
# Options:   random    randomZ   fix     range    parent_relation
random
# Shield effect:
# Shield time [s] [shield phase or group number] ?
1.0000
# Shield distance [micrometers]  [ nucleation distance [micrometers] ]?
0.000000
# Nucleation range
# min. nucleation temperature for seed type 1 [K]
0.000000
# max. nucleation temperature for seed type 1 [K]
1000.000
# Time between checks for nucleation? [s]
# Options:  constant   from_file
constant
# Time interval [s]
1.00000E-02
# Shall random noise be applied?
# Options:     nucleation_noise   no_nucleation_noise
no_nucleation_noise
#
# Max. number of simultaneous nucleations?
# ----------------------------------------
# (set to 0 for automatic)
1000
#
# 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 phases 0 and 1?
# Options: phase_interaction  no_phase_interaction
#  [standard|particle_pinning[_temperature]|solute_drag]
#   | [redistribution_control]
phase_interaction
# 'DeltaG' options:  default
# avg ...[] max ...[J/cm^3] smooth ...[Deg] noise ...[J/cm^3] offset ...[J/cm^3]
avg 0.55   max 100
# I.e.:  avg +0.55  smooth  +0.0  max +1.00000E+02
# Type of interfacial energy definition between phases 0 and 1?
# Options:  constant  temp_dependent
constant
# Interfacial energy between phases 0 and 1? [J/cm**2]
#     [max. value for num. interface stabilisation [J/cm**2]]
1.00000E-05
# Type of mobility definition between phases 0 and 1?
# Options: constant temp_dependent dg_dependent [fixed_minimum]
constant
# Kinetic coefficient mu between phases 0 and 1  [ min. value ] [cm**4/(Js)] ?
5.00000E-02
# Is interaction isotropic?
# Options: isotropic
#          anisotropic [junction_force] [harmonic_expansion]
#          aniso_special_orient [junction_force][harmonic_expansion]
anisotropic
# Anisotropy of interfacial stiffness? (cubic)
# 1 - delta * cos(4*phi), (delta =delta_stiffness =15*delta_energy)
# Coefficient delta (<1.) ?
0.50000
# Anisotropy of interfacial mobility? (cubic)
# 1 + delta * cos(4*phi)
# Coefficient delta (<1.) ?
0.20000
#
# Data for phase interaction 1 / 1:
# ---------------------------------
# Simulation of interaction between phases 1 and 1?
# Options: phase_interaction  no_phase_interaction  identical phases nb
#  [standard|particle_pinning[_temperature]|solute_drag]
#   | [redistribution_control]
no_phase_interaction
#
#
# Concentration data
# ==================
# Number of dissolved constituents?   (int)
1
# Type of concentration?
# Options:     atom_percent    (at%)
#              weight_percent  (wt%)
atom_percent
#
#
# Diffusion Data
# --------------
# ["Terse Mode": Each line starts with component number and phase number]
# Options:   diagonal [x]   multi [y(1..k)]   multi_plus [y(1..k)]
#  x: one of the characters "n", "d", "g", "l", "z", "i", "I", or "f"
#  y: chain of "n", "d", "g", "l", "z", or "f" (for each component)
#  default: "g"  resp. "gggg..."
#  Rem: "n":no diffusion, "d": input, "f": T-dep. from file
#       "i":infinite, "I": infinite in each grain
#       from database: "g": global, "l": local, "z" global z-segmented
# Extra line option: [+b] for grain-boundary diffusion
# Extra line option (prefactor on time step): cushion <0-1>
# Extra line option: infinite_limit [cm**2/s]
# Extra line option: maxfactor_local [real > 1.0] (default: 10.0)
# Extra line option: factor [real > 0.]
# Finish input of diffusion data with 'end_diffusion_data'.
#
# How shall diffusion of component 1  in phase 0  be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
2.00000E-04
# Activation energy? (real) [J/mol]
0.0000
# How shall diffusion of component 1  in phase 1  be solved?
diff
# Diff.-coefficient:
# Prefactor? (real) [cm**2/s]
1.00000E-08
# Activation energy? (real) [J/mol]
0.0000
#
#
# Phase diagram - input data
# ==========================
#
# List of phases and components which are stoichiometric:
#  phase and component(s) numbers
# List of concentration limits (at%):
#  <limits>, phase number and component number
# List for ternary extrapolation (2 elements + main comp.):
#  <interaction>, component 1, component 2
# Switches: <stoich_enhanced_{on|off}> <solubility_{on|off}>
# List of relative criteria on phase composition
#  <criterion_higher | criterion_lower>, phase No 1,  phase No 2, component No
# List of source changes for diffusion data
#  <switch_diff_data>, Phase-No., reference phase
# Switch: Add composition sets for calculation of diffusion/volume/enthalpy data
#  <diff_comp_sets | vol_comp_sets | enth_comp_sets>, phase list
# End with 'no_more_stoichio' or 'no_stoichio'
no_stoichio
#
#
# Is a thermodynamic database to be used?
# Options: database   database_verbose   database_consistent   no_database
database
#
#
#
# Name of Thermo-Calc *.GES5 file without extension?
GES_Files/TC2015a_AlCu
# Which global relinearisation mode shall be used?
# Options:  manual   from_file   none
manual 100.00
# Input of the phase diagram of phase 0 and phase 1:
# --------------------------------------------------
# Which phase diagram is to be used?
# Options:  database [local|global[F]|globalG[F]] [start_value_{1|2}]
#           linear     linearTQ
database
# Relinearisation mode for interface 0 / 1
# Options:  automatic   manual   from_file   none
none
# Reading GES5 workspace ...
# Index relations between TC and MICRESS
# --------------------------------------
# The database contains the following components:
# 1: AL
# 2: CU
# Specify relation between component indices Micress -> TC!
# The main component has in MICRESS the index 0
# Thermo-Calc index of (MICRESS) component 0?
1
# Thermo-Calc index of (MICRESS) component 1?
2
# 0 -> AL
# 1 -> CU
# The database contains 3 phases:
# 1: LIQUID
# 2: ALCU_THETA
# 3: FCC_A1
# Specify relation between phase indices Micress -> TC!
# The matrix phase has in MICRESS the index 0
# Thermo-Calc index of the (MICRESS) phase 0  [ name ('#'-->'$') ]?
1
# Thermo-Calc index of the (MICRESS) phase 1  [ name ('#'-->'$') ]?
3
# 0 -> LIQUID
# 1 -> FCC_A1
#
# Molar volume of phase 0 (LIQUID)? [cm**3/mol]
# Options: manual database [temp_extrapol] [conc_extrapol]
10.000
# Molar volume of phase 1 (FCC_A1)? [cm**3/mol]
# Options: manual database [temp_extrapol] [conc_extrapol]
10.000
# Temperature at which the initial equilibrium
# will be calculated? [K]
915.0000
#
#
# Initial concentrations
# ======================
# How shall initial concentrations be set?
# Options:  input  equilibrium  from_file     [phase number]
equilibrium
# Initial concentration of component 1 (CU) in phase 0 (LIQUID) ? [at%]
3.000000000
#
#
# 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
lat_heat_3d 0
# Simulation with release of pseudo-3D latent heat of phase 1 (FCC_A1)?
# Options:       pseudo_3d [crit. matrix fraction]    no_pseudo_3d
pseudo_3D
# Interval for updating enthalpy data [s]
0.10000
#
#
# Boundary conditions
# ===================
# Type of heat flow trend?
# Options:   linear     linear_from_file
linear
# Number of connecting points?    (integer)
0
# Initial temperature at the bottom?  (real)  [K]
915.0000
# Temperature gradient in z-direction?  [K/cm]
0.0000
# Heat flow? [J/s*cm^3]
-50.000
#
# Boundary conditions for phase field in each direction
# Options: i (insulation) s (symmetric) p (periodic/wrap-around)
#          g (gradient)   f (fixed)     w (wetting)
# Sequence: W E (S N, if 3D) B T borders
pppp
#
# Boundary conditions for concentration field in each direction
# Options: i (insulation) s (symmetric) p (periodic/wrap-around) g (gradient) f (fixed)
# Sequence: W E (S N, if 3D) B T borders
pppp
# Unit-cell model symmetric with respect to the x/y diagonal plane?
# Options:    unit_cell_symm   no_unit_cell_symm
no_unit_cell_symm
#
#
# Other numerical parameters
# ==========================
# Phase minimum?
1.00E-04
# Interface thickness (in cells)?
3.00
#
#