Atomistic investigations of melting characterization in metallic nanostructures

Surface Science Volume 707, 2021, № 121803

Niyati Shah, K.A. Nekrasov, Sanjeev K. Gupta, P.N. Gajjar, A.S. Boyarchenkov

Abstract — Melting temperatures, for bulk materials at constant pressure, remain constant for given materials. In case of nanomaterials however, melting temperature is subject to changes in the shape and size of the material. In this work, the liquid Sshell nucleation and the liquid skin nucleation and growth models, along with empirical re-lations, are used to predict the melting temperatures of Pt, Au and Ag nanowires and nanofilms. The melting temperatures are calculated taking into account the phenomenon of surface melting and the criteria of stability of the surface liquid layer. For platinum and gold, which are susceptible to surface melting, the liquidus and solidus curves are built, that characterize nanowire melting.

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