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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2009, Volume 89, Issue 7, Pages 425–431
(Mi jetpl403)
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This article is cited in 35 scientific papers (total in 35 papers)
CONDENSED MATTER
Structural transitions in small nickel clusters
S. L. Gafnera, L. V. Redel'a, Zh. V. Goloven'koa, Yu. Ya. Gafnera, V. M. Samsonovb, S. S. Kharechkinb a N. F. Katanov Khakas State University
b Tver State University
Abstract:
The processes of a thermal impact on Ni nanoclusters with a radius of up to 0.8 nm have been studied by means of molecular dynamics with the use of a tight-binding potential. The simulation indicates that the structural transition from the initial fcc phase to the icosahedral modification occurs under the influence of temperature. The transition temperature is shifted towards the cluster melting temperature with an increase in the cluster size. A similar behavior has been observed for copper and gold nanoparticles. A conclusion has been drawn that 200–250 atoms is presumably the limiting size of a metallic cluster, below which the initial fcc modification cannot be kept under realistic industrial conditions. The adequacy of the results is checked in the computer experiments with Lennard-Jones nanoparticles. The results for the Lennard-Jones and metallic nanoparticles have been shown to agree with each other.
Received: 04.02.2009 Revised: 05.03.2009
Citation:
S. L. Gafner, L. V. Redel', Zh. V. Goloven'ko, Yu. Ya. Gafner, V. M. Samsonov, S. S. Kharechkin, “Structural transitions in small nickel clusters”, Pis'ma v Zh. Èksper. Teoret. Fiz., 89:7 (2009), 425–431; JETP Letters, 89:7 (2009), 364–369
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https://www.mathnet.ru/eng/jetpl403 https://www.mathnet.ru/eng/jetpl/v89/i7/p425
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Abstract page: | 375 | Full-text PDF : | 168 | References: | 29 |
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