Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. Founded at 2009

INVESTIGATION OF THE STRUCTURAL CHARACTERISTICS OF THE COPPER NANOCLUSTERS IN MELTING/CRYSSTALLIZATION PROCESS

N.Yu.. Sdobnyakov, M.A. Khazitonova, A.P. Andriychuk, A.N. Bazulev, I.V. Kartashov, P.V. Komarov, D.N. Sokolov

DOI: 10.26456/pcascnn/2014.6.353

Original article

Abstract: In this work the investigation of the structural characteristics of the copper nanoclusters in the melting/crystallization process has been carried out. The possibility of the determination of the phase transition temperature has been shown by the temperature dependence of the mean value of the first coordination number. The process of the forming FCC/HCP structures for copper nanoclusters during melting and crystallization has been described.

Keywords: copper nanoclusters, melting and crystallization, Monte-Carlo method, Gupta potential, first coordination number, local density, FCC structure, HCP structure

  • N.Yu.. Sdobnyakov
  • M.A. Khazitonova
  • A.P. Andriychuk
  • A.N. Bazulev
  • I.V. Kartashov
  • P.V. Komarov
  • D.N. Sokolov

Reference:

Sdobnyakov N.Yu.., Khazitonova M.A., Andriychuk A.P., Bazulev A.N., Kartashov I.V., Komarov P.V., Sokolov D.N. Issledovanie strukturnykh kharakteristik nanoklasterov medi v protsesse plavleniya i kristallizatsii [INVESTIGATION OF THE STRUCTURAL CHARACTERISTICS OF THE COPPER NANOCLUSTERS IN MELTING/CRYSSTALLIZATION PROCESS], Fiziko-khimicheskie aspekty izucheniya klasterov, nanostruktur i nanomaterialov [Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials], 2014, issue 6, pp. 353-361. DOI: 10.26456/pcascnn/2014.6.353. ⎘

Full article (in Russian): download PDF file

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