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Vestnik Yuzhno-Ural'skogo Gosudarstvennogo Universiteta. Seriya "Matematika. Mekhanika. Fizika", 2011, Issue 4, Pages 106–113
(Mi vyurm230)
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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
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
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
Linking options:
https://www.mathnet.ru/eng/vyurm230 https://www.mathnet.ru/eng/vyurm/y2011/i4/p106
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Abstract page: | 93 | Full-text PDF : | 74 | References: | 39 |
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