Lr. Fokin et al., Analytical representation of collision integrals for the (m-6) Lennard-Jones potentials in the EPIDIF database, HIGH TEMP, 37(1), 1999, pp. 45-51
Based on the requirements of the EPIDIF database as regards the interaction
potentials and the diffusion coefficients of species of gas-phase epitaxy
of novel materials, the choice is justified of the set of the collision int
egrals, of the range of reduced temperatures, and of the desired accuracy o
f approximation of tabulated data. For the set of three-parameter m-6 Lenna
rd-Jones potentials, the main collision integrals are approximated in the r
ange of reduced temperatures T* = 0.4-200 and, for the first time, in almos
t the entire range of the exponent m = 8-infinity with the standard deviati
on of 0.075-0.085%. The models and their parameters are introduced to the E
PIDIF database and used to analyze the surface of the binary diffusion coef
ficient as a function of the variables T* and m.