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JOURNALS // Preprints of the Keldysh Institute of Applied Mathematics // Archive

Keldysh Institute preprints, 2012 032, 25 pp. (Mi ipmp50)

This article is cited 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.



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