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Nanoscience and Technology: An International Journal
ESCI SJR: 0.228 SNIP: 0.484 CiteScore™: 0.37

ISSN Imprimer: 2572-4258
ISSN En ligne: 2572-4266

Nanoscience and Technology: An International Journal

Précédemment connu sous le nom Nanomechanics Science and Technology: An International Journal

DOI: 10.1615/NanomechanicsSciTechnolIntJ.v6.i1.30
pages 31-46

SIMULATING ALUMINUM NANOCRYSTAL HEATING BY MOLECULAR DYNAMIC AND PHENOMENOLOGICAL METHOD

A. V. Fedorov
S. A. Kristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, Russian Federation
A. V. Shulgin
S. A. Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, 630090, Russia
S. A. Lavruk
S. A. Khristianovich Institute of Theoretical and Applied Mechanics, Siberian Branch of the Russian Academy of Sciences, Novosibirsk, 630090, Russia

RÉSUMÉ

Molecular dynamic simulation of nanoaluminum melting by the DL_POLY package and the embedded atom potential for determining the heat conductivity and heat capacity have been performed. Analytic approximations of the found dependences of thermophysical parameters on temperature and particle size are presented. A phenomenological physicomathematical model for description of melting of nanosized aluminum samples is presented with due account for these dependences. The investigations were performed for samples with plane, cylindrical, and spherical symmetry. The dependences of the aluminum nanoparticle melting time on the radius and the ambient temperature were found. Two-front melting modes as a consequence of the scaling factor of the melting temperature dependence on the particle size were determined for the first time.