Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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The investigation of the influence of point defects on the thermodynamic and structural properties of nanocompacted cobalt and copper

A.Yu. Kolosov1, D.N. Sokolov1, V.S. Myasnichenko1, N.Yu. Sdobnyakov1, P.M. Ershov1, A.A. Khort2
1Tver State University
2A.V. Luikov Heat and Mass Transfer Institute of NAS of Belarus

DOI: 10.26456/pcascnn/2017.9.252

Abstract: To study the effect of volume and surface defects on the thermodynamic and structural characteristics of nanoclusters of cobalt and copper, the Monte Carlo method was applied. The interaction between atoms was described by the many-body Gupta potential. It is determined that in simulation of thermal exposed metallic nanoparticles with point defects there are insignificant deviations of their structural characteristics from values corresponding to non-defect nanoparticles.
Keywords: metal nanoparticles, Monte Carlo method, Gupta potential, volume and surface defects.

Bibliography link:
Kolosov, A.Yu. The investigation of the influence of point defects on the thermodynamic and structural properties of nanocompacted cobalt and copper / A.Yu. Kolosov, D.N. Sokolov, V.S. Myasnichenko et al. // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2017. – I. 9. – P. 252-257.

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