Investigation of the thermal properties of Cu-Ag core-shell nanowires using molecular dynamics simulation

J Sarkar and S Ganguly, PHYSICA B-CONDENSED MATTER, 636, 413876 (2022).

DOI: 10.1016/j.physb.2022.413876

Cu-Ag core-shell nanowires are a special type of nanostructured material, which are characterized by excellent oxidation resistance due to the Ag shell, together with very high conductivity and flexibility with the presence of copper nanowires (Cu NWs) in the core. This article reports a theoretical characterization of thermal properties of Cu-Ag core-shell nanowires using a non-equilibrium molecular dynamics simulation study. The important thermal properties include thermal conductivity, melting point, specific heat capacity, and coefficients of thermal expansion have been simulated against the size parameters of the nanowires. The simulation has recognized the notable phenomenon such as lower thermal conductivity as compared to the bulk copper, negative coefficients of thermal expansion and the melting point as high as 1369.8 K. The simulated results and the overall thermal behaviour of the Cu-Ag core-shell nanowires have been discussed in this article with insight into the different phenomenon occurring at the atomic scale.

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