Thermodynamic stability of Cu_xAg_1-x nanoparticles

I.V. Chepkasov, N.D. Artemova, V.S. Baidyshev
N.F. Katanov Khakas State University

DOI: 10.26456/pcascnn/2017.9.500

Abstract: Molecular dynamics method was applied to simulate processes of melting of disordered CuAg alloy particles in the D = 3 – 5 nm size range. It is shown that for small nanoparticles (diameter D = 3 nm) melting process is associated with formation of an outer layer consisting of Ag atoms and further transition of the particle to an amorphous state. With increasing the particle size to D = 5 nm, this effect was not observed.
Keywords: computer simulation, molecular dynamics, CuAg nanoalloy.

Bibliography link:
Chepkasov, I.V. Thermodynamic stability of Cu_xAg_1-x  nanoparticles / I.V. Chepkasov, N.D. Artemova, V.S. Baidyshev // 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. 500-504.

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