First-principles study on doping effect of B in NbSi₂ with C40 structure

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• 作者：Xia Wang^a ; Lan Wang^a ; Yong Pan^a ; ^{panyong10@mails.jlu.edu.cn} ; Yuxiang Chen^b ; Shengchuang Shi^a ; Duo Hou^b
• 关键词：Nb&ndash ; Si based alloys ; Brittle-to-ductile transition ; Elastic modulus ; First-principles calculations
• 刊名：Vacuum
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：135
• 期：Complete
• 页码：121-123
• 全文大小：620 K
• 卷排序：135

文摘

Solution strengthening mechanism of B in NbSi2 is studied by first-principles. B prefers to occupy to OI site in comparison with the TI site. B element results in brittle-to-ductile transition for NbSi2. B element weakens the shear deformation resistance for NbSi2.