TEMP_LIM 298.15 6000.00 !
$
$ ELEMENT STABLE ELEMENT REFERENCE MASS H298-H0 S298
ELEM VA VACUUM 0.0000E+00 0.0000E+00 0.0000E+00 2 !
ELEM AL FCC_A1 2.6982E+01 4.5400E+03 2.8300E+01 2 !
ELEM ZN HCP_A3 6.5390E+01 5.6568E+03 4.1631E+01 2 !
$
DEFINE_SYSTEM_DEFAULT SPECIE 2 !
DEFAULT_COM DEF_SY_EL VA !
$
PHASE FCC_A1 % 2 1 1 !
CONSTITUENT FCC_A1 :AL,ZN:VA: !
$
TYPE_DEFINITION % SEQ * !
$
$VOLUME DATA
PARAM VS(FCC_A1) 0 1E-5; 6000 N !
$
ZEROVOLUME_SPECIES VA !
$ The following data from Reference: "Cui, Y. W., et al. "Study of diffusion mobility of Al-Zn
solid solution." Journal of phase equilibria and diffusion 27.4 (2006): 333-342."
$
$==================DIFFUSION DATA===============================
$+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
$
$ **************
$ FCC_A1 PHASE
$ **************
$+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
$
$ -------------------AL DIFFUSIVITY--------------------------
$
$ mobility of Al in Al :bulk self-diffusivity in pure Al
PARAMETER MQ(FCC_A1&AL,AL:VA) 298.15 -126719-95.07*T; 6000 N !
$
$ mobility of AL in ZN : impurity-diffusivity for AL in ZN
PARAMETER MQ(FCC_A1&AL,ZN:VA) 298.15 -83255-92.92*T; 6000 N !
$
$ ---------------------ZN DIFFUSIVITY-----------------------
$
$ mobility of ZN in ZN : bulk self-diffusivity in pure ZN
PARAMETER MQ(FCC_A1&ZN,ZN:VA) 298.15 -76569-86.21*T; 6000 N !
$
$ mobility of ZN in Al : impurity-diffusivity for ZN in Al
PARAMETER MQ(FCC_A1&ZN,AL:VA) 298.15 -120033-88.34*T; 6000 N !
$
$
$ --------------------- INTERACTION---------------------
PARAMETER MQ(FCC_A1&ZN,AL,ZN:VA;0) 298.15 -40720+31.7*T; 6000 N !
PARAMETER MQ(FCC_A1&ZN,AL,ZN:VA;1) 298.15 147763-133.7*T; 6000 N !
PARAMETER MQ(FCC_A1&AL,AL,ZN:VA;0) 298.15 30169-111.8*T; 6000 N !
PARAMETER MQ(FCC_A1&AL,AL,ZN:VA;1) 298.15 11835+39.0*T; 6000 N !
$