Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Effect of external pressure on the phase transition temperature in bimetallic argentic nanoparticles

V.S. Myasnichenko, V.V. Kulagin, D.N. Sokolov, N.Yu.. Sdobnyakov, L. Kirilov

DOI: 10.26456/pcascnn/2016.8.259

Original article

Abstract: In this paper, a series of computer experiments on heating of clusters in the form of a truncated box is made by a molecular dynamics method ( NPT ensemble). Clusters of the stoichiometric compositions AB and A3B were investigated for Cu-A and Au-Ag bimetallic systems. We used a modified many-body tight-binding potential. It was found that the temperature range of the structural stability for bimetallic nanoparticles (nanoalloys) have combined influence of the following factors: nanoparticle size and initial geometric form, nanoparticle composition, type and degree of atomic ordering, external pressure.

Keywords: external pressure, melting temperature, structural phase transition, bimetallic clusters, «core-shell» structure, silver nanoparticles, molecular dynamics method

  • V.S. Myasnichenko
  • V.V. Kulagin
  • D.N. Sokolov
  • N.Yu.. Sdobnyakov
  • L.. Kirilov

Reference:

Myasnichenko, V.S. Effect of external pressure on the phase transition temperature in bimetallic argentic nanoparticles / V.S. Myasnichenko, V.V. Kulagin, D.N. Sokolov, N.Yu.. Sdobnyakov, L.. Kirilov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2016. — I. 8. — P. 259-265. DOI: 10.26456/pcascnn/2016.8.259. (In Russian).

Full article (in Russian): download PDF file

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