Russian Metallurgy (Metally), Vol. 2012, No. 8, pp. 696–704. Original Russian Text © V.A. Polukhin, E.D. Kurbanova, A.E. Galashev,
2012, published in Rasplavy, 2012, No. 3, pp. 15–29.
Effect of the Character of the (Ni, Pd) Cluster/Graphene Interatomic
Bonds on the Thermosize Effects and Structural–Isomeric Transitions
V. A. Polukhin, E. D. Kurbanova, and A. E. Galashev
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.