中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 金属研究所
  3. 中国科学院金属研究所
Effect of impurities on elastic properties and grain boundary strength of vanadium:A first principles study

文献类型：期刊论文

作者Pan, Shilong1,2; Wang, Yanhui1,2,5; Zhang, Honglin3,4; Song, Kun1,2; Sun, Mingyue3,4; Xu, Bin3,4; Ma, Hui3; Lv, Xuewei1,2
刊名VACUUM
出版日期2024-07-01
卷号225页码:11
关键词Elastic property Grain boundary strength Mechanical properties Vanadium First-principles calculations
ISSN号0042-207X
DOI10.1016/j.vacuum.2024.113252
通讯作者Lv, Xuewei(lvxuewei@163.com)
英文摘要During the processing of vanadium, the inevitable incorporation of impurities can exert a significant influence on the mechanical properties. In this work, the effects of common impurity elements (H, C, N, O, Al, Cr and Fe) on elastic properties and V & sum;3(111) grain boundary strength were studied by first-principles calculations. The results show that the H, C, N, O and Al elements can improve the deformation resistance but reduce the ductility of vanadium, whereas Fe exhibit the opposite effect. Electronic structure analysis provided a reasonable explanation for the observed changes in elastic properties. Then, first-principles-based tensile tests were carried out on vanadium grain boundary with impurities. The findings demonstrate that C enhances the tensile strength of vanadium grain boundary by improving the weakest bonds between adjacent V atoms. Conversely, the detrimental effect of O was attributed to the reduction of interaction between V atoms. This study contributes to a better knowledge of the potential positive and negative impacts of impurities on the mechanical properties of vanadium and provides valuable insights for future research in materials processing.
资助项目Vanadium and titanium resource comprehensive utilization industry technology innovation strategic alliance project[PGWX2021047] ; National Key Research and Development Program[2018YFA0702900] ; National Natural Science Foundation of China[52173305] ; National Natural Science Foundation of China[52101061] ; National Natural Science Foundation of China[52233017] ; National Natural Science Foundation of China[52203384] ; IMR Innovation Foundation[2022-PY12] ; LingChuang Research Project of China National Nuclear Corporation ; CNNC Science Fund for Talented Young Scholars and Youth Innovation Promotion Association, CAS
WOS研究方向Materials Science ; Physics
语种英语
WOS记录号WOS:001237792000001
出版者PERGAMON-ELSEVIER SCIENCE LTD
资助机构Vanadium and titanium resource comprehensive utilization industry technology innovation strategic alliance project ; National Key Research and Development Program ; National Natural Science Foundation of China ; IMR Innovation Foundation ; LingChuang Research Project of China National Nuclear Corporation ; CNNC Science Fund for Talented Young Scholars and Youth Innovation Promotion Association, CAS
源URL  
专题金属研究所_中国科学院金属研究所
通讯作者Lv, Xuewei
作者单位1.Chongqing Univ, Chongqing Key Lab Vanadium Titanium Met & New Mat, 174 Shazheng St, Chongqing 400044, Peoples R China
2.Chongqing Univ, Coll Mat Sci & Engn, 174 Shazheng St, Chongqing 400044, Peoples R China
3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
4.Chinese Acad Sci, Key Lab Nucl Mat & Safety Assessment, Inst Met Res, Shenyang 110016, Peoples R China
5.Chongqing Mat Res Inst Co Ltd, Chongqing 400707, Peoples R China
推荐引用方式
GB/T 7714		 Pan, Shilong,Wang, Yanhui,Zhang, Honglin,et al. Effect of impurities on elastic properties and grain boundary strength of vanadium:A first principles study[J]. VACUUM,2024,225:11.
APA Pan, Shilong.,Wang, Yanhui.,Zhang, Honglin.,Song, Kun.,Sun, Mingyue.,...&Lv, Xuewei.(2024).Effect of impurities on elastic properties and grain boundary strength of vanadium:A first principles study.VACUUM,225,11.
MLA Pan, Shilong,et al."Effect of impurities on elastic properties and grain boundary strength of vanadium:A first principles study".VACUUM 225(2024):11.

入库方式： OAI收割

来源：金属研究所

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。