# # Automatic 'Driving File' written out by MICRESS. # # # # MICRESS binary # ============== # version number: 6.300 (Linux) # compiled: 11/14/2016 # compiler version: Intel 1400 20140120 # executable architecture: x64 # Thermo-Calc coupling: enabled # Version: 1E1 # Link Date: 16-12-2015 15:03:59 # OS Name: Linux # Build Date: # Compiler: ifort (IFORT) 14.0.2 20140120 # OpenMP: disabled # shell: /bin/bash # ('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): 3000 # 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') 0.002 # # Flags # ----- # Type of coupling? # Options: phase concentration temperature temp_cyl_coord # [stress] [stress_coupled] [flow] [flow_coarse] [dislocation] concentration # Type of potential? # Options: double_obstacle multi_obstacle [fd_correction] multi_obstacle fd_correction # Enable one dimensional far field approximation for diffusion? # Options: 1d_far_field no_1d_far_field no_1d_far_field # Shall an additional 1D field be defined in z direction # for temperature coupling? # Options: no_1d_temp 1d_temp 1d_temp_cylinder 1d_temp_polar [kin. Coeff] # kin. Coeff: Kinetics of latent heat release (default is 0.01) no_1d_temp # # Phase field data structure # -------------------------- # Coefficient for initial dimension of field iFace # [minimum usage] [target usage] 0.1 # Coefficient for initial dimension of field nTupel # [minimum usage] [target usage] 0.1 # # # Restart options # =============== # Restart using old results? # Options: new restart [reset_time | structure_only] new # # # Name of output files # ==================== # Name of result files? Rev # 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] # Finish selection of outputs with 'end_of_outputs'. terse out_restart out_grains out_phases out_fraction 1 2 tab_fractions out_interface out_driv_force tab_grains out_conc out_conc_phase 1 | 2 out_mobility tab_lin tab_log 1. tab_grain_data # out_relin # out_curvature # out_velocity # tab_vnm # out_temp # tab_conc # out_recrystall # tab_recrystall # out_disloc # out_miller # out_orientation # tab_orientation [rotmat] end_of_outputs # # # Time input data # =============== # Finish input of output times (in seconds) with 'end_of_simulation' # 'regularly-spaced' outputs can be set with 'linear_step' # or 'logarithmic_step' and then specifying the increment # and end value # ('automatic_outputs' optionally followed by the number # of outputs can be used in conjuction with 'linear_from_file') # 'first' : additional output for first time-step # 'end_at_temperature' : additional output and end of simulation # at given temperature linear_step 1.0 10.0 linear_step 3.0 20.0 linear_step 10.0 300.0 linear_step 50.0 3600.0 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 1.0 # 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]? 20 # # # Phase data # ========== # Number of distinct solid phases? 2 # # 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 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 # # Data for phase 2: # ----------------- # [identical phase number] # Simulation of recrystallisation in phase 2? # Options: recrystall no_recrystall [verbose|no_verbose] no_recrystall # Is phase 2 anisotrop? # Options: isotropic anisotropic faceted antifaceted faceted # Crystal symmetry of the phase? # Options: none cubic hexagonal tetragonal orthorhombic none # Number of type of facets in phase 2 1 # kin. anisotropy parameter Kappa? # only one value for all facets/phases # 0 < kappa <= 1 0.3 # Number of possible orientations of a facet 1 6 # 1 -th normal vector facet 1 ? 3* 1 2 9 # 2 -th normal vector facet 1 ? 3* 1 9 2 # 3 -th normal vector facet 1 ? 3* 2 1 9 # 4 -th normal vector facet 1 ? 3* 2 9 1 # 5 -th normal vector facet 1 ? 3* 9 1 2 # 6 -th normal vector facet 1 ? 3* 9 2 1 # Should grains of phase 2 be reduced to categories? # Options: categorize no_categorize no_categorize # # Orientation # ----------- # How shall grain orientations be defined? # Options: angle_2d euler_zxz angle_axis miller_indices quaternion angle_2d # # # Grain input # =========== # Type of grain positioning? # Options: deterministic random [deterministic_infile] from_file from_file # Filename of initial grain/phase structure [VTK_identifier (default=korn)] ? 3lines(1500_500).txt # Treatment of data? # (n: none, 1: 1D, f: flip (bottom<->top), t: transpose, # or p: 'phase to grains transformation') p # CellsX for initial microstructure? 1500 # CellsZ for initial microstructure? 500 # Number of grains at the beginning? # (Set to less than 1 for the number of grain to be read from the input data, # with optionally a minimal size, in cells) 0 # Read grain properties from a file? # Options: input from_file identical blocks identical # Input data for grain number 1: # Phase number? (integer) 1 # Rotation angle? [Degree] 0 # 'Non-geometric' data for grains 1 to 2 identical # # # Data for further nucleation # =========================== # Enable further nucleation? # Options: nucleation nucleation_symm no_nucleation [verbose|no_verbose] nucleation verbose # 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 [restrictive] interface # Phase of new grains (integer) [unresolved|add_to_grain]? 2 # 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? 3 # Grain radius [micrometers]? 0.00000 # Choice of growth mode: # Options: stabilisation analytical_curvature analytical_curvature # Critical radius? [micrometers] 1.000000E-02 # min. undercooling [K] (>0)? 20.000 # Determination of nuclei orientations? # Options: random randomZ fix range parent_relation random # Shield effect: # Shield time [s] [shield phase or group number] ? 200 # Shield distance [micrometers] [ nucleation distance [micrometers] ]? 1.5 # Nucleation range # min. nucleation temperature for seed type 1 [K] 0.000000 # max. nucleation temperature for seed type 1 [K] 1200.000 # Time between checks for nucleation? [s] # Options: constant from_file constant # Time interval [s] 0.80000 # 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) 0.1 # # Seed for random-number generator initialisation # ----------------------------------------------- 777777777 # 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 phases 0 and 1? # Options: phase_interaction no_phase_interaction # [standard|particle_pinning[_temperature]|solute_drag] # | [redistribution_control] or [no_junction_force|junction_force] no_phase_interaction # # Data for phase interaction 0 / 2: # --------------------------------- # Simulation of interaction between phases 0 and 2? # Options: phase_interaction no_phase_interaction identical phases nb # [standard|particle_pinning[_temperature]|solute_drag] # | [redistribution_control] or [no_junction_force|junction_force] no_phase_interaction # # 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] or [no_junction_force|junction_force] phase_interaction # Type of interfacial energy definition between phases 1 and 1? # Options: constant temp_dependent constant # Interfacial energy between phases 1 and 1? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 2.70000E-05 # Type of mobility definition between phases 1 and 1? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between phases 1 and 1 [ min. value ] [cm**4/(Js)] ? 2.00000E-06 # Shall misorientation be considered? # Options: misorientation no_misorientation # [low_angle_limit (degrees)] default:15 [special_orient (nb)] no_misorientation # # Data for phase interaction 1 / 2: # --------------------------------- # Simulation of interaction between phases 1 and 2? # Options: phase_interaction no_phase_interaction identical phases nb # [standard|particle_pinning[_temperature]|solute_drag] # | [redistribution_control] or [no_junction_force|junction_force] phase_interaction redistribution_control # 'DeltaG' options: default # avg ...[] max ...[J/cm^3] smooth ...[°] noise ...[J/cm^3] offset ...[J/cm^3] avg 0.5 smooth 45 # I.e.: avg +0.50 smooth +45.0 # Type of interfacial energy definition between phases 1 and 2? # Options: constant temp_dependent constant # Interfacial energy between phases 1 and 2? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 2.0000000E-05 # Type of mobility definition between phases 1 and 2? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between phases 1 and 2 [ min. value ] [cm**4/(Js)] ? 1.0e-4 # Shall misorientation be considered? # Options: misorientation no_misorientation # [low_angle_limit (degrees)] default:15 [special_orient (nb)] no_misorientation # Is interaction isotropic? # Optionen: isotropic anisotropic anisotropic # This anisotropic interaction is not yet implemented. # Instead: isotropic-faceted # static anisotropy coefficient of facet 1 (0 < a <= 1, 1=isotrop, 0 not defined) 0.9 # kinetic anisotropy coefficient of facet 1 (0 < a <= 1, 1=isotrop, 0 not defined) 0.9 # # Data for phase interaction 2 / 2: # --------------------------------- # Simulation of interaction between phases 2 and 2? # Options: phase_interaction no_phase_interaction identical phases nb # [standard|particle_pinning[_temperature]|solute_drag] # | [redistribution_control] or [no_junction_force|junction_force] phase_interaction # Type of interfacial energy definition between phases 2 and 2? # Options: constant temp_dependent constant # Interfacial energy between phases 2 and 2? [J/cm**2] # [max. value for num. interface stabilisation [J/cm**2]] 1.00000E-05 # Type of mobility definition between phases 2 and 2? # Options: constant temp_dependent dg_dependent [fixed_minimum] constant # Kinetic coefficient mu between phases 2 and 2 [ min. value ] [cm**4/(Js)] ? 1.00000E-05 # Shall misorientation be considered? # Options: misorientation no_misorientation # [low_angle_limit (degrees)] default:15 [special_orient (nb)] no_misorientation # # # Concentration data # ================== # Number of dissolved constituents? (int) 2 # Type of concentration? # Options: atom_percent (at%) # weight_percent (wt%) weight_percent # # # Diffusion Data # -------------- # # ["Terse Mode": Each line starts with component number and phase number] # Options: diagonal [x] multi [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 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? 1 0 diagonal n # How shall diffusion of component 1 in phase 1 be solved? 1 1 multi gg 1 1 factor 20 # How shall diffusion of component 1 in phase 2 be solved? 1 2 multi gg # How shall diffusion of component 2 in phase 0 be solved? 2 0 diagonal n # How shall diffusion of component 2 in phase 1 be solved? 2 1 multi gg 2 1 factor 10 # How shall diffusion of component 2 in phase 2 be solved? 2 2 multi gg end_diffusion_data # # How shall the interval for updating diffusion coefficients # data be set? # Options: constant from_file constant # Interval for updating diffusion coefficients data? [s] 3.000 # # # # Phase diagram - input data # ========================== # # List of phases and components which are stoichiometric: # phase and component(s) numbers # List of concentration limits (at%): # , phase number and component number # List for ternary extrapolation (2 elements + main comp.): # , component 1, component 2 # Switches: # End with 'no_more_stoichio' or 'no_stoichio' no_stoichio # # # # # Is a thermodynamic database to be used? # Options: database database_verbose no_database database # # Name of Thermo-Calc *.GES5 file without extension? GES_Files/FeMnAl # Which global relinearisation mode shall be used? # Options: manual from_file none manual # Relinearisation interval [s] 36.00000000000 # Input of the phase diagram of phase 1 and phase 2: # -------------------------------------------------- # Which phase diagram is to be used? # Options: database [local|global|globalF][start_value_{1|2}] linear linearTQ database global # Relinearisation mode for interface 1 / 2 # Options: automatic manual from_file none none # Please specify the redistribution behaviour of each component: # Format: forward [backward] # Options: nple para paratq normal [mob_corr] atc [mob_corr] [verbose] # Component 1 normal mob_corr # Component 2 normal mob_corr # Reading GES5 workspace ... # Index relations between TC and MICRESS # -------------------------------------- # The database contains the following components: # 1: AL # 2: FE # 3: MN # Specify relation between component indices Micress -> TC! # The main component has in MICRESS the index 0 # Thermo-Calc index of (MICRESS) component 0? 2 # Thermo-Calc index of (MICRESS) component 1? 1 # Thermo-Calc index of (MICRESS) component 2? 3 # 0 -> FE # 1 -> AL # 2 -> MN # The database contains 3 phases: # 1: LIQUID # 2: BCC_A2 # 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 1? 2 # Thermo-Calc index of the (MICRESS) phase 2? 3 # 1 -> BCC_A2 # 2 -> FCC_A1 # # Molar volume of (MICRESS) phase 1 (BCC_A2)? [cm**3/mol] 7.1824 # Molar volume of (MICRESS) phase 2 (FCC_A1)? [cm**3/mol] 7.2757 # Temperature at which the initial equilibrium # will be calculated? [K] 1100.000 # # # Initial concentrations # ====================== # How shall initial concentrations be set? # Options: input equilibrium from_file [phase number] equilibrium 1 # Initial concentration of component 1 (AL) in phase 1 (BCC_A2) ? [wt%] 3.000000000 # Initial concentration of component 2 (MN) in phase 1 (BCC_A2) ? [wt%] 12.00000000 # # # Parameters for latent heat and 1D temperature field # =================================================== # Simulate release of latent heat? # Options: lat_heat lat_heat_3d[matrix phase] no_lat_heat no_lat_heat_dsc no_lat_heat # # # Boundary conditions # =================== # Type of temperature trend? # Options: linear linear_from_file profiles_from_file linear # Number of connecting points? (integer) 0 # Initial temperature at the bottom? (real) [K] 873.0000 # 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 iiii # # 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 iiii # 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)? 4.00 # # Number of parallel threads? # =========================== 2