Calculation of the Temperature Dependence of the Surface Energy of Metal Nanoclusters in a Wide Range of Their Radii

被引：2

作者：

Golovnev, I. F. ^{[1
]}

Golovneva, E. I. ^{[1
]}

机构：

[1] Russian Acad Sci, Siberian Branch, Khristianovich Inst Theoret & Appl Mech, Novosibirsk 630090, Russia

来源：

PHYSICAL MESOMECHANICS | 2020年 / 23卷 / 04期

基金：

俄罗斯基础研究基金会;

关键词：

Metals; Surface energy; Nanocluster; Molecular dynamics method; Temperature effect; Size effect; Diffusion; TILT GRAIN-BOUNDARIES; MOLECULAR-DYNAMICS; GLASS-FORMATION; MIGRATION; ALLOYS;

D O I：

10.1134/S1029959920040050

中图分类号：

O3 [力学];

学科分类号：

08 ; 0801 ;

摘要：

This study explores the effect of the radius of silver nanospheres and temperature on the total potential energy of the system as well as on the surface energy and energy of bulk atoms and binding energy of surface and bulk atoms. An approach is developed for calculating the surface energy of spherical nanoclusters. The investigation is performed for silver nanospheres with a radius of 2 to 8 nm by molecular dynamics simulations. The interaction of Ag atoms with each other is described using an embedded atom potential.

引用

页码：316 / 323

页数：8

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