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Prikladnaya Mekhanika i Tekhnicheskaya Fizika, 2014, Volume 55, Issue 3, Pages 113–139 (Mi pmtf1067)  
This article is cited in 6 scientific papers (total in 6 papers)

Method of molecular dynamics in mechanics of deformable solids

S. P. Kiselev

Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, 630090, Russia
Full-text PDF (848 kB) Citations (6)
Abstract: The basic principles of the method of molecular dynamics are analyzed. Symplectic difference schemes for the numerical solution of molecular dynamics equations are considered. Stability is studied, and the errors in the energy conservation law, which are induced by using these schemes, are estimated. Equations of mechanics of continuous media are derived by means of averaging over the volume of an atomic system. Expressions for the stress tensor are obtained by using the virial principle and the method of averaging over the volume. The principles of construction of EAM and MEAM potentials of atomic interaction in crystals are analyzed. Two problems of fracture of copper-molybdenum composites are solved by the method of molecular dynamics.
Keywords: method of molecular dynamics, symplectic difference schemes, energy conservation law, EAM and MEAM potentials, pressure, temperature, stress tensor, copper, molybdenum, fracture, plastic deformation.
Received: 24.06.2013
English version:
Journal of Applied Mechanics and Technical Physics, 2014, Volume 55, Issue 3, Pages 470–493
DOI: https://doi.org/10.1134/S0021894414030109
Bibliographic databases:
Document Type: Article
UDC: 539.412+539.2
Language: Russian
Citation: S. P. Kiselev, “Method of molecular dynamics in mechanics of deformable solids”, Prikl. Mekh. Tekh. Fiz., 55:3 (2014), 113–139; J. Appl. Mech. Tech. Phys., 55:3 (2014), 470–493
Citation in format AMSBIB
\Bibitem{Kis14}
\by S.~P.~Kiselev
\paper Method of molecular dynamics in mechanics of deformable solids
\jour Prikl. Mekh. Tekh. Fiz.
\yr 2014
\vol 55
\issue 3
\pages 113--139
\mathnet{http://mi.mathnet.ru/pmtf1067}
\elib{https://elibrary.ru/item.asp?id=21946353}
\transl
\jour J. Appl. Mech. Tech. Phys.
\yr 2014
\vol 55
\issue 3
\pages 470--493
\crossref{https://doi.org/10.1134/S0021894414030109}
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  • https://www.mathnet.ru/eng/pmtf/v55/i3/p113
    • This publication is cited in the following 6 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    		Prikladnaya Mekhanika i Tekhnicheskaya Fizika Prikladnaya Mekhanika i Tekhnicheskaya Fizika
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