Process of faceting in nanoparticles of FCC metals: Results of simulation by the molecular-dynamics method

被引：4

作者：

Kar'kina, L. E. ^{[1
]}

Kar'kin, I. N. ^{[1
]}

Gornostyrev, Yu. N. ^{[1
]}

机构：

[1] Russian Acad Sci, Ural Div, Inst Met Phys, Ekaterinburg 620990, Russia

来源：

PHYSICS OF METALS AND METALLOGRAPHY | 2010年 / 109卷 / 03期

关键词：

molecular dynamics; fee metals; nanoparticles; CLUSTERS; DIFFUSION; SURFACES;

D O I：

10.1134/S0031918X10030014

中图分类号：

TF [冶金工业];

学科分类号：

0806 ;

摘要：

The process of formation of facets (faceting) in Ni, Al, and Au nanoparticles has been investigated by the molecular-dynamics method. It has been established that the surface of nanoparticles of fcc metals with attainment of a low-energy habit can be transformed via correlated displacements of atomic groups of the facet in the octahedral plane. It has been shown that such a process is similar to the surface diffusion of atomic n-mers with the activation energy depending on the facet size, and for particles with a diameter d < 3.0 nm the correlated displacement of atomic layers proves to be the dominant mechanism of faceting.

引用

页码：211 / 219

页数：9

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