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UDK: 539.19:519.7

2007. - V. 21. - N 1(69). - P. 40-45

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The bases of molecular dynamics method with reference to solving numerical problems are stated in the given work. Various potentials of interaction are described; the parameters describing laws of interaction are determined; the basic assumptions which allow us to establish connection between microscopic parameters of modeling and macroscopic parameters of the modeled object are stated.

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МЕТОД МОЛЕКУЛЯРНОЙ ДИНАМИКИ ДЛЯ ИССЛЕДОВАНИЯ ДВИЖЕНИЯ ЧАСТИЦ ВЕЩЕСТВ

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