Modeling of atomic diffusion coefficient of channeled particles

Yu. N. Shtanov^a, V. P. Koshcheev^b, D. A. Morgun^c, T. A. Panina<sup>c

a</sup> TSOGU branch in Surgut, Surgut
^b National Research University (Moscow Aviation Institute), Strela Branch, Zhukovsky, Moscow region
^c Surgut State University, Surgut

Abstract: Atomic diffusion coefficient of channeled particles built on Doyle–Turner approach of potential of an isolated atom. It is shown that the atomic diffusion coefficient seeks to the minimum value in the region of maximum nuclear density of atomic chain, where the diffusion coefficient of Kitagawa–Ohtsuki reaches its maximum value. Modeling atomic diffusion coefficient performed by a computer program TROPICS upgraded for calculating on heterogeneous structures.

Keywords: modelling of atomic diffusion coefficient, expansion in trigonometric Fourier series, supercomputer AIC-5 VNIIEF, graphics accelerator.

Received: 10.09.2015

 English version: Mathematical Models and Computer Simulations, 2017, 9:2, 201–205

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