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Matematicheskoe modelirovanie, 1991, Volume 3, Number 4, Pages 22–30 (Mi mm2213)  

Computer experiment in science and engineering

Calculation of the isotope effect at the interstitials diffusion in crystals by the heating method

A. A. Givoderov, A. N. Varaksin

Ural Polytechnic Institute
Abstract: The impurity mass dependence of the diffusion coefficient $D(m)$ was investigated by the heating method (reduced version of molecular dynamics method). It is shown that $D(m)$ has a minimum near $m\sim M$ region ($M$ is the mass of a lattice atom), if the impurity interacts with the crystal by short- range potential. The dependence $D(m)$ is monotoneous (without the extremums) for long-range potential but $D(m)$ differs from prediction of the rates theory $D(m)\sim m^{-0,5}$.
Received: 30.11.1990
Language: Russian
Citation: A. A. Givoderov, A. N. Varaksin, “Calculation of the isotope effect at the interstitials diffusion in crystals by the heating method”, Matem. Mod., 3:4 (1991), 22–30
Citation in format AMSBIB
\Bibitem{GivVar91}
\by A.~A.~Givoderov, A.~N.~Varaksin
\paper Calculation of the isotope effect at the interstitials diffusion in crystals by the heating method
\jour Matem. Mod.
\yr 1991
\vol 3
\issue 4
\pages 22--30
\mathnet{http://mi.mathnet.ru/mm2213}
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