Size and dimension dependent vacancy formation energy of nanosolids

被引：0
|
作者：
Xiong, Shiyun [1 ]
Qi, Weihong [1 ,2 ]
Huang, Baiyun [3 ]
Wang, Mingpu [1 ,2 ]
机构：
[1] Cent South Univ Technol, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China
[2] Minist Educ Changsha, Key Lab Non Ferrous Mat Sci & Engn, Changsha 410083, Peoples R China
[3] Cent South Univ Technol, State Key Lab Powder Met, Changsha 410083, Peoples R China
来源：
COMPUTATIONAL MATERIALS SCIENCE, PTS 1-3 | 2011年 / 268-270卷
关键词：
Nanosolids; Vacancy formation energy; Size effects; METALLIC NANOPARTICLES; TEMPERATURE;
D O I：
10.4028/www.scientific.net/AMR.268-270.930
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A model for size dependent vacancy formation energy of nanosolids (nanoparticles, nanowires and nanofilms) has been developed by the consideration of their surface free energy. It is found that the vacancy formation energy of nanosolids decreases with the decrease of size. The relative variation of vacancy formation energy of nanoparticles, nanowires and nanofilms to bulk value at specified size follows 3:2:1. Furthermore, vacancy formation energy of nanosolids changes linearly with the reciprocal of size. The present results agree well with the predictions of BOLS and ECN theory.
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页码：930 / +
页数：2
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