The mechanical and thermodynamic properties of Heusler compounds Ni₂XAl (X = Sc, Ti, V) under pressure and temperature: A first-principles study

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• 作者：Zhiqin Wen^a ; Yuhong Zhao^a ; ^{zhaoyuhong@nuc.edu.cn} ; Hua Hou^a ; Bing Wang^a ; Peide Han^b
• 关键词：Heusler compounds ; L21-type Ni2XAl ; Mechanical properties ; Thermodynamic properties ; First-principles
• 刊名：Materials & Design
• 出版年：2017
• 出版时间：15 January 2017
• 年：2017
• 卷：114
• 期：Complete
• 页码：398-403
• 全文大小：924 K
• 卷排序：114

文摘

The mechanical and thermodynamic properties of Ni2XAl (X = Sc, Ti, V) are studied. The mechanical properties of these compounds can be improved by pressure. Ni2VAl and Ni2TiAl precipitates can improve the resistance to volume deformation of NiAl alloys. The effect of temperature and pressure on thermodynamic parameters is inversed.