!*See
!*Höglund, Ågren
!*"Simulation of Carbon Diffusion in Steel Driven by a Temperature Gradient"
!*Journal of Phase Equilibria and Diffusion 31(2010)212-215


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

SET_NUMBER_OF_THREADS
!Number of threads /1/

MANDATORY_DATA
fenic_fcc_demo!GES file / ANALYTICAL [<analytic init file>]
!(Initial) Temperature [K] /1000.0000/
!Pressure [Pa] /100000.00/
n!Element C substitutional /YES/
!Element FE substitutional /YES/
!Element NI substitutional /YES/
!Initially homogeneous composition /YES/
6.5794811E-3!Initial mole fraction of element C
0.68083991!Initial mole fraction of element FE
0.31258061!Initial mole fraction of element NI
!*Enter state of phases, 1:Entered, 2: Suspended
!State of phase (FCC_A1) /1/
!Dimensionality /1/
100!Nr of grid points in dimension #1 /10/
25e-3!Domain width [m] in dimension #1 /1.0000000/
!Periodic boundary in dimension #1 /NO/
!*Grid type. 1:Linear, 2:Geometric, 3: Double geometric, 4: Read from file
!Grid type in dimension #1 /1/
!*Info: Initial time is always zero
367200!Simulation time [s] /1.0000000/
!Maximum timestep [s] /5000000.0/
!Minimum timestep [s] /0.10000000E-09/
!Initial timestep [s] /0.10000000E-09/
!Save interval /1/
!Minimum elapsed time between saves [f(time)], [s] /1.0/

NON_ISOTHERMAL_SIMULATION
!NON-ISOTHERMAL SIMULATION /YES/
y!Spatially non-isothermal simulation /NO/
n!Initially even temperature /YES/
T0.txt!File containing initial temperature distribution
0.0!Heat conductivity function for FCC_A1
y!Use a constant normalization temperature /NO/
1000!Normalization temperature (non-zero)

HEAT_OF_TRANSPORT_DATA
!*Enter functions for heat of transport using the phase and element indices given below.
!*Exit by entering any value outside the valid ranges.
!*Phase indices:
!*1 : FCC_A1
!*Element indices:
!*1 : C
!*2 : FE
!*3 : NI
1!Heat of transport phase index
1!Heat of transport element index
-44000!Heat of transport function
0!Heat of transport phase index


NUMERICAL_SETTINGS
!Degree of implicity /1.0000000/
!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/
y!Temporally piece-wise locally constant coefficients /YES/
y!Enable linearized time-steps /NO/
!Assume a maximum width of interfaces /NO/

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

