MOLECULAR-DYNAMIC CALCULATION OF THERMAL EXPANSION COEFFICIENT FOR COPPER NANOCLUSTERS
Elena I. Golovneva, Igor F. Golovnev, Vasily M. Fomin
Pages: 204-211
Publié: 1 Jan 2011
Vues: 415
Téléchargements: 60
Résumé: The paper presents the molecular-dynamic investigation of thermal expansion linear coefficient (TLC) for copper nanoclusters of spherical shape in the wide size range. To do this, the nanoclusters was heated by the stochastic forces method, and a number of characteristics were calculated in a certain amount of time pitches. In particular, the linear sizes of the studied nanostructure, its volume and system temperature were derived. Then the TLC magnitudes were found by the known expressions with the interpolation method; the TLC dependencies on the nanostructure size were plotted. It was shown that the TLC depends on the nanostructure size. As the size increases, the calculated thermal expansion linear coefficient tends to its experimental value.
Mots-clés : molecular dynamic modeling, copper nanocluster, thermal expansion coefficient
Citer cet article : Elena I. Golovneva, Igor F. Golovnev, Vasily M. Fomin. MOLECULAR-DYNAMIC CALCULATION OF THERMAL EXPANSION COEFFICIENT FOR COPPER NANOCLUSTERS. Journal of International Scientific Publications: Materials, Methods & Technologies 5, 204-211 (2011). https://www.scientific-publications.net/en/article/1003298/
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