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Fizika Tverdogo Tela, 2017, Volume 59, Issue 10, Pages 1879–1884
DOI: https://doi.org/10.21883/FTT.2017.10.44953.418
(Mi ftt9416)
 

This article is cited in 2 scientific papers (total in 2 papers)

Metals

Method for construction of a biased potential for hyperdynamic simulation of atomic systems

E. V. Duda, G. V. Kornich

Zaporizhzhya National Technical University
Full-text PDF (170 kB) Citations (2)
Abstract: An approach to constructing a biased potential for hyperdynamic simulation of atomic systems is considered. Using this approach, the diffusion of an atom adsorbed on the surface of a two-dimensional crystal and a vacancy in the bulk of the crystal are simulated. The influence of the variation in the potential barriers due to thermal vibrations of atoms on the results of calculations is discussed. It is shown that the bias of the potential in the hyperdynamic simulation makes it possible to obtain statistical samples of transitions of atomic systems between states, similar to those given by classical molecular dynamics. However, hyperdynamics significantly accelerates computations in comparison with molecular dynamics in the case of temperature-activated transitions and the associated processes in atomic systems.
Received: 21.11.2016
Revised: 26.02.2017
English version:
Physics of the Solid State, 2017, Volume 59, Issue 10, Pages 1900–1905
DOI: https://doi.org/10.1134/S1063783417100134
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: E. V. Duda, G. V. Kornich, “Method for construction of a biased potential for hyperdynamic simulation of atomic systems”, Fizika Tverdogo Tela, 59:10 (2017), 1879–1884; Phys. Solid State, 59:10 (2017), 1900–1905
Citation in format AMSBIB
\Bibitem{DudKor17}
\by E.~V.~Duda, G.~V.~Kornich
\paper Method for construction of a biased potential for hyperdynamic simulation of atomic systems
\jour Fizika Tverdogo Tela
\yr 2017
\vol 59
\issue 10
\pages 1879--1884
\mathnet{http://mi.mathnet.ru/ftt9416}
\crossref{https://doi.org/10.21883/FTT.2017.10.44953.418}
\elib{https://elibrary.ru/item.asp?id=30108713}
\transl
\jour Phys. Solid State
\yr 2017
\vol 59
\issue 10
\pages 1900--1905
\crossref{https://doi.org/10.1134/S1063783417100134}
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  • https://www.mathnet.ru/eng/ftt/v59/i10/p1879
  • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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