期刊
PHYSICA B-CONDENSED MATTER
卷 584, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.physb.2020.412071
关键词
Vacancy formation energy; Temperature dependent; Modeling; Metallic materials; Defects
资金
- National Natural Science Foundation of China [11672050, 11727802]
- Graduate Research and Innovation Foundation of Chongqing [CYS18055]
- Fundamental Research Funds for the Central Universities [2019CDQYHK016]
- National Science Foundation Project of Chongqing CSTC [cstc2017jcyjAX0240]
Knowledge of vacancy formation energy (VFE) for metallic materials at different temperatures is of fundamental importance. In the present study, following Brook's method and cohesive energy theory, two temperature dependent VFE models of metallic materials are developed based on our previous studies. The developed models are validated using the available experimental and simulation results. Agreement is good between model predictions and corresponding available experimental and simulation results. This study indicates that the VFE firstly remains approximately constant and then goes down almost linearly with increase of temperature. Furthermore, this work can provide simple and effective methods to calculate VFE of metallic materials at different temperatures, and can help understand the fundamental mechanisms which control the decrease of VFE at high temperatures.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据