!* 3D simulation of dendrite formation in the Fe-C system

!*YAPFI macro
!*-----------

SET_NUMBER_OF_THREADS
32!Number of threads /1/



MANDATORY_DATA
c_fe_bcc_fcc_liq_demo!GES file / ANALYTICAL [<analytic init file>]
1770!(Initial) Temperature [K] /1000.0000/
!Pressure [Pa] /100000.00/
n!Element C substitutional /YES/
!Element FE substitutional /YES/
!Initially homogeneous composition /YES/
0.006!Initial mole fraction of element C
0.994!Initial mole fraction of element FE
!*Enter state of phases, 1:Entered, 2: Suspended
!State of phase (LIQUID) /1/
!State of phase (BCC_A2) /1/
2!State of phase (FCC_A1) /1/
3!Dimensionality /1/
32!Nr of grid points in dimension #1 /10/
32!Nr of grid points in dimension #2 /10/
32!Nr of grid points in dimension #3 /10/
0.016384!Domain width [m] in dimension #1 /1.0000000/
0.016384!Domain width [m] in dimension #2 /1.0000000/
0.016384!Domain width [m] in dimension #3 /1.0000000/
!Periodic boundary in dimension #1 /NO/
!Periodic boundary in dimension #2 /NO/
!Periodic boundary in dimension #3 /NO/
!*Grid type. 1:Linear, 2:Geometric, 3: Double geometric, 4: Read from file
!Grid type in dimension #1 /1/
!Grid type in dimension #2 /1/
!Grid type in dimension #3 /1/
!*Info: Initial time is always zero
60!Simulation time [s] /1.0000000/
!Maximum timestep [s] /6.0000000/
!Minimum timestep [s] /0.10000000E-09/
!Initial timestep [s] /0.10000000E-09/
!Save interval /1/
0.1!Minimum elapsed time between saves [f(time)], [s] /1.0/

ANISOTROPIC_SURFACE_ENERGY
y!Allow anisotropic surface energy /NO/
1e-10!abs(\Delta\phi)_min (A negative value disables the use of this parameter) /0.10000000E-13/

PHASE_FIELD_DATA
!Use phase-field variables /YES/
!Total nr of phase-field variables /2/
!File containing initial phase-field variable values
!*Associate phases with phase-field variables
!*Phase indices:
!*1:LIQUID
!*2:BCC_A2
2!Index of associated phase of phase-field variable # 1
1!Index of associated phase of phase-field variable # 2
!*Enter g_1
!*Shorthand notations:
!*gs11=\sum_iG_{mi}(\phi_i^3(10-15\phi_i+6\phi_i^2))
!*gs12=\sum_iG_{mi}\phi_i
!*variable GXX correspond to Gm of phase
gs11!Gm expression for g_1
!*Enter g_2
!*Shorthand notations:
!*gs21=8\sum_i\phi_i^2(1-\phi_i)^2
!*gs22=0.626\sum_i(\frac{\tanh(2)^2-1}{\tanh(2)^2}\log[1-\tanh(2)^2(2\phi_i-1)^2]-(2\phi_i-1)^2)
15*gs21!Gm expression for g_2
!*Enter epsilon_ij expressions
-1.875e-9*(1-3*0.02)*(1+((4*0.02)/(1-3*0.02))*(  (dp01dz1^4+dp01dz2^4+dp01dz3^4)/( (dp01dz1*(1.0+eps))^2 + (dp01dz2*(1.0+eps))^2 + (dp01dz3*(1.0+eps))^2 +eps )^2 ))
((100*5e-9*1e-4)/(R*T*100e-9**2))*(1+3*0.02)*(1-((4*0.02)/(1+3*0.02))*(  (dp01dz1^4+dp01dz2^4+dp01dz3^4)/( (dp01dz1*(1.0+eps))^2 + (dp01dz2*(1.0+eps))^2 + (dp01dz3*(1.0+eps))^2 +eps )^2 ))

INITIAL_SINGLE_PHASE
y!Set whole domain to consist of a single phase /NO/
2!Enter corresponding phase-field variable index

INITIAL_PRECIPITATE
1!Enter corresponding phase-field variable index
!*Options:
!*1.Spherical precipitate
!*2.Segment/triangle/tetrahedron precipitate at origin
!*3.Arbitrary segment/triangular/tetrahedron precipitate
2!Precipitate option
0.5e-4!x-axis cut-off
0.5e-4!y-axis cut-off
0.5e-4
!*Enter precipitate composition (mole fraction)
0.001!Element C
0.999!Element FE
10!Relative grid fineness around precipitate (only relevant with adaptive meshing) /0/

FIX_INITIAL_STATE
!*INFO: Enable this command after entering phase-field data
y!Fix the initial state /NO/
0.001!Mole fraction of C in phase-field variable #1
0.999!Mole fraction of FE in phase-field variable #1
0.006!Mole fraction of C in phase-field variable #2
0.994!Mole fraction of FE in phase-field variable #2
!Round initial phase-field variable values to zero/one /YES/

NUMERICAL_SETTINGS
1.0!Degree of implicity /1.0000000/
0.1!Relative error tolerance /0.50000000E-01/
!Absolute error tolerance /0.10000000E-07/
!Jacobian perturbation parameter /0.10000000E-02/
!Clean Jacobian /NO/
!Minimum mole fraction /0.10000000E-14/
!Minimum mobility /0.10000000E-39/
!Maximum temperature /6000.0000/
!Maximum timestep change factor /2.0000000/
!Enforce a maximum \Delta T per time-step /NO/
!Temporally piece-wise locally constant coefficients /YES/
y!Enable linearized time-steps /NO/
y!Assume a maximum width of interfaces /NO/
16e-6!Enter width of interface as real value (>0.0) or nr of grid points (3,5,7,..)
!Set non-active phase-field variables away from interfaces to zero /YES/


ADAPTIVE_MESHING
y!Use adaptive meshing /NO/
!Initial allocation factor (>=1) /1.0000000/
n!Adapt mesh based on composition gradients /YES/
!Adapt mesh based on phase-field variable gradients /YES/
0.01!Max phase-field variable Delta /0.10000000/
0.001!Min phase-field variable Delta /0.10000000E-01/
n!Adapt mesh based on temperature gradients /YES/
1!Domain size integer aspect ratio, 1st spatial dimension
1!Domain size integer aspect ratio, 2nd spatial dimension
1!Domain size integer aspect ratio, 3rd spatial dimension
1!Input integer (1) or real valued (2) parameters /1/
5!Initial depth (>0)
5!Minimum depth (>0)
12!Maximum depth (>0)
!Refine interfaces to maximum fineness (only for phase-field, done gradually) FEATURE CURRENTLY DISABLED /NO/
y!Base interval to adapt mesh on cumulative change /NO/
n!Use cumulative change of mole-fractions
y!Use cumulative change of phase-field variables
0.3!Maximum cumulative change of phase-field variables


FLUCTUATING_PHI
!*A user supplied function is multiplied with a random number -1<x<1
!*and added to all dg/dphi derivatives every time-step
y!Enable adding fluctuations to dg/dphi /NO/
p01*p02*40.0!Fluctuation function


RANDOM_NUMBER_SETTINGS
y!Use a single seed for the pseudorandom number generator /NO/
!Enter integer seed (1 digit) (<0 for internal vector) /1/


SOLVER
!*Solvers:
!*1.Jacobian solver
!*2.Implicit solver
2!Choose solver /1/

SET_SCREEN_OUTPUT
1!Screen output. 1=Normal, 2=Minimal, 3=Less than minimal, 4=Almost nothing /2/



