Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika"
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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2011, Issue 4, Pages 106–113 (Mi vyurm230)  
This article is cited in 1 scientific paper (total in 1 paper)

Physics

The application of Schommers scheme for the calculation of effective pair potential in NPT ensemble

V. A. Starukhin, A. A. Mirzoev, A. G. Vorontsov

South Ural State University
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Abstract: An algorithm for effective pair potential obtaining was elaborated. It is based on Schommers scheme and molecular dynamics simulation in NPT ensemble. An effective pair potential for liquid iron near its melting point was calculated. Peculiarity of the new scheme allowed us to obtain an effective potential which could reproduce both structure and density of the system.
Keywords: effective pair potential, computer simulation, disordered systems, liquid structure, molecular dynamics.
Received: 10.03.2011
Document Type: Article
UDC: 538.911, 538.913
Language: Russian
Citation: V. A. Starukhin, A. A. Mirzoev, A. G. Vorontsov, “The application of Schommers scheme for the calculation of effective pair potential in NPT ensemble”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2011, no. 4, 106–113
Citation in format AMSBIB
\Bibitem{StaMirVor11}
\by V.~A.~Starukhin, A.~A.~Mirzoev, A.~G.~Vorontsov
\paper The application of Schommers scheme for the calculation of effective pair potential in NPT ensemble
\jour Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz.
\yr 2011
\issue 4
\pages 106--113
\mathnet{http://mi.mathnet.ru/vyurm230}
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