Melting and solidification point of fcc-metal nanoparticles with respect to particle size: A molecular dynamics study

被引：72

作者：

Shibuta, Yasushi ^{[1
]}

Suzuki, Toshio ^{[1
]}

机构：

[1] Univ Tokyo, Dept Mat Engn, Bunkyo Ku, Tokyo 1138656, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2010年 / 498卷 / 4-6期

关键词：

WALLED CARBON NANOTUBES; FINNIS-SINCLAIR POTENTIALS; INTERFACIAL FREE-ENERGY; LIQUID; IRON; GROWTH; TRANSITION; NANOCLUSTERS; TEMPERATURE; SIMULATION;

D O I：

10.1016/j.cplett.2010.08.082

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The phase transition between liquid droplets and solid nanoparticles of face-centered cubic (fcc) metals is investigated by the molecular dynamics simulation. Depression of both the melting and solidification points is negatively correlated with the inverse of particle radius. Polycrystalline nanoparticles are obtained by cooling and the polycrystalline structure causes a fluctuation in the trend of the melting point with respect to particle size. It was found that the Gibbs-Thomson coefficient is proportional to the melting point among various body-centered cubic (bcc) and fcc metals in the same matter, even though different interatomic potentials are employed between bcc and fcc metals. (C) 2010 Elsevier B.V. All rights reserved.

引用

页码：323 / 327

页数：5

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