Effect of the character of the (Ni, Pd) cluster/graphene interatomic bonds on the thermosize effects and structural-isomeric transitions / Polukhin V.A., Kurbanova E.D., Galashev A.E. // Russian Metallurgy (Metally). - 2012. - V. 2012, l. 8. - P. 696-704.

ISSN:
00360295
Type:
Article
Abstract:
The thermal evolution of nanoclusters is studied by molecular dynamics simulation to analyze the nucleation and kinetics of the kinetic processes that determine the basic factors of the onset of premelting and the loss of thermal stability of a two-dimensional system of transition-metal (Pd, Ni) nanoclusters located on a graphene substrate. A comprehensive analysis reveals the effect of the initial structural characteristics of nanoclusters, the heating conditions, and the kinetic factors during thermally activated diffusion on the nanostructuring in the thermal evolution of the nanoclusters. This evolution includes the following stages: isomerization, quasi-melting, and the decomposition of a given regular structure; it is classified as an order-disorder transition and as an analog of phase transitions in macroscopic systems on the nanoscale. © 2012 Pleiades Publishing, Ltd.
Author keywords:
Index keywords:
Comprehensive analysis; Heating conditions; Interatomic bonds; Kinetic factors; Kinetic process; Macroscopic systems; Molecular dynamics simulations; Nano scale; Nano-structuring; Pre-melting; Regular
DOI:
10.1134/S0036029512080083
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Affiliations Institute of Materials Science and Metallurgy of Ural Federal University, Yekaterinburg, Russian Federation
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Correspondence Address Polukhin, V. A.; Institute of Materials Science and Metallurgy of Ural Federal University, Yekaterinburg, Russian Federation; email: pvalery@nm.ru
Language of Original Document English
Abbreviated Source Title Russ. Metall. (Metally)
Source Scopus