Molecular dynamics study of size dependences of melting and crystallization heats of platinum and palladium nanoclusters
S.A. Vasilyev, A.A. Romanov, N.V. Vostrov, V.L. Skopich, K.G. Savina
Tver State University, Tver, Russia
Abstract: On the basis of the molecular dynamics results obtained by using the tight binding potential, the heats of melting, crystallization, and also the sublimation and evaporation heats of platinum and palladium nanoclusters were found. The obtained size dependences are linear if the inverse radius is chosen as an argument, which allows extrapolating the dependencies to the corresponding bulk phases and comparing with the tabulated values.
Keywords: platinum nanoclusters, palladium nanoclusters, molecular dynamics; tight binding potential, heat of melting, heat of crystallization, heat of sublimation, heat of evaporation.
Vasilyev, S.A. Molecular dynamics study of size dependences of melting and crystallization heats of platinum and palladium nanoclusters / S.A. Vasilyev, A.A. Romanov, N.V. Vostrov 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, 2019. – I. 11. – P. 436-442.
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