Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Size dependences of linear expansion and volume elasticity of mono- and bimetallic nanoclusters

V.S. Myasnichenko, N.Yu. Sdobnyakov, A.N. Bazulev, P.M. Ershov, E.M. Davydenkova

Tver State University

DOI: 10.26456/pcascnn/2020.12.260

Original article

Abstract: A series of molecular dynamics experiments on cooling disordered Au, Cu, Al, Ti metal nanoparticles and Au – Cu, Ti – Al bimetallic nanoalloys using the tight-binding potential have been performed. The size dependences of the temperature coefficient of linear expansion and the elasticity modulus for mono- and bimetallic particles are obtained. In the first approximation, the size dependence of the linear expansion coefficient is inversely proportional to the corresponding dependence for the melting temperature of a nanoparticle, which correlates with an analytical model. Molecular dynamics results predict a more moderate relative increase in the linear expansion coefficient compared to the analytical model. It was found that the modulus of elasticity increases with decreasing the nanoparticle size.

Keywords: bimetallic nanoparticles, molecular dynamics, tight-binding potential, linear expansion coefficient, bulk modulus, size dependence, approximation

  • Vladimir S. Myasnichenko – Researcher of the General Physics Department, Tver State University
  • Nickolay Yu. Sdobnyakov – Ph. D., Docent of the General Physics Department, Tver State University
  • Anatolii N. Bazulev – Ph. D., Docent of General Physics Department, Tver State University
  • Pavel M. Ershov – postgraduate student, General Physics Department, Tver State University
  • Ekaterina M. Davydenkova – 2st year graduate student, Tver State University

Reference:

Myasnichenko, V.S. Size dependences of linear expansion and volume elasticity of mono- and bimetallic nanoclusters / V.S. Myasnichenko, N.Yu. Sdobnyakov, A.N. Bazulev, P.M. Ershov, E.M. Davydenkova // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2020. — I. 12. — P. 260-273. DOI: 10.26456/pcascnn/2020.12.260. (In Russian).

Full article (in Russian): download PDF file

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