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Preprints of the Keldysh Institute of Applied Mathematics, 2012, 032, 25 pp.
(Mi ipmp50)
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This article is cited in 3 scientific papers (total in 3 papers)
Molecular-dynamic modeling of processes of heating and melting of metals.
Part II. Computational experiment
V. I. Mazhukin, A. V. Shapranov
Abstract:
Molecular-dynamic modeling of physical properties of pure metallic Aluminum is considered. The aim of investigation is the behavior during melting-crystallization phase transformations i.e. during solid-liquid transition. Part I contains mathematical description of the considered problem and development of computational algorithm. Part II contains the results of the computational experiment with the obtained temperature dependencies of several thermo-physical properties of metal. The possibility of formation of highly overheated metastable states of solid phase during rapid heating of Al is confirmed.
Keywords:
molecular dynamics, the interaction potential, thermostat, barostat, the order parameter, temperature, pressure, phase transitions, melting, crystallization.
Citation:
V. I. Mazhukin, A. V. Shapranov, “Molecular-dynamic modeling of processes of heating and melting of metals.
Part II. Computational experiment”, Keldysh Institute preprints, 2012, 032, 25 pp.
Linking options:
https://www.mathnet.ru/eng/ipmp50 https://www.mathnet.ru/eng/ipmp/y2012/p32
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Statistics & downloads: |
Abstract page: | 298 | Full-text PDF : | 176 | References: | 33 |
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