The effects of interstitial impurities on the mechanical properties of vanadium alloys: A first-principles study

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成果类型：

期刊论文

作者：

Zhang, Xingming;Tang, Jianfeng*;Deng, Lei*;Zhong, Gu;Liu, Xunlin;...

通讯作者：

Tang, Jianfeng;Deng, Lei

作者机构：

[Tang, Jianfeng; Deng, Lei; Li, Yifan; Liu, Xunlin; Zhang, Xingming] Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.

[Tang, Jianfeng; Hu, Wangyu] Hunan Agr Univ, Coll Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China.

[Zhong, Gu] Suzhou Res Inst Nonferrous Met, Suzhou 215000, Peoples R China.

[Deng, Huiqiu] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China.

通讯机构：

[Tang, JF; Deng, L] H

Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.

语种：

英文

关键词：

Calculations;Ductility;Mechanical properties;Stacking faults;Vanadium alloys;First principles;First-principles calculation;First-principles study;Generalized stacking fault energies;Impurities concentration;Impurity effect;Interstitial impurities;Strong dependences;Impurities

期刊：

Journal of Alloys and Compounds

ISSN：

0925-8388

年：

2017

卷：

701

页码：

975-980

DOI：

10.1016/j.jallcom.2017.01.135

基金类别：

National Nature Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [51501063, 51301066, 51371080]; Natural Science Foundation of Hunan ProvinceNatural Science Foundation of Hunan Province [14JJ2080]; Talents Foundation of Hunan Agricultural University [14YJ104]

机构署名：

本校为第一且通讯机构

院系归属：

理学院

摘要：

This study aims to elucidate the effects of interstitial impurities on the mechanical properties of vanadium alloys investigated by means of the first-principles computations. For this purpose, we study the generalized stacking-fault energies and the ductility parameters in different slip system to evaluate the strengthening and ductility potentials of interstitial impurities in V alloys. The results show that the generalized stacking-fault energy values for two slip systems all increase significantly after adding C, O, and N impurities in comp...

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The effects of interstitial impurities on the mechanical properties of vanadium alloys: A first-principles study

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