Effect of size on energy and elastic constants of Ni nanoparticles studied using the embedded-atom method

被引：6

作者：

Cai, Jun ^{[1
]}

Wang, Yan-Dong ^{[2
]}

Huang, Zhen-wei ^{[3
]}

机构：

[1] North China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China

[2] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China

[3] Northeastern Univ, Key Lab Anisotropy & Texture Mat, Minist Educ, Shenyang 110004, Peoples R China

来源：

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2013年 / 21卷 / 03期

基金：

中国国家自然科学基金;

关键词：

FCC METALS; PHASE-TRANSFORMATION; POTENTIALS; AG;

D O I：

10.1088/0965-0393/21/3/035010

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Using the embedded-atom method potential, the energy and elastic constants of Ni nanoparticles are investigated as a function of size. It is found that a simple formula derived from the total energy can be used to explain the change characteristics of the size-dependent energy and C-11 and C-44 of Ni nanoparticles. The change characteristics of the size-dependent C-12 are slightly different from the situation of C-11 and C-44 and they perhaps depend on its strain character when the nanoparticle is larger than similar to 2.0 nm in size. It is also found that a transition occurs from a fast change of these size-dependent properties to a slow one. Such a transition occurs at similar to 1.5 nm in size for the nanoparticles, i.e. the energy and elastic constants of Ni nanoparticles show approximately no change as long as their size is larger than 2 nm. It is also demonstrated that when the size of the nanoparticle is large enough (>20 nm) the calculated elastic constants and the cohesive energy are in agreement with those of their respective bulk counterpart.

引用

页数：6