Analytical representation of collision integrals for the (m-6) Lennard-Jones potentials in the EPIDIF database

Citation
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
Citations number
35
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
HIGH TEMPERATURE
ISSN journal
0018151X → ACNP
Volume
37
Issue
1
Year of publication
1999
Pages
45 - 51
Database
ISI
SICI code
0018-151X(199901/02)37:1<45:AROCIF>2.0.ZU;2-1
Abstract
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.