A first-principles study of the mechanical and thermodynamic properties of WTi, WV, W2Zr, WVTi, WVZr alloys

被引：16

作者：

Cui, Zilin ^{[1
]}

Zhang, Xin ^{[1
]}

Liu, Qijun ^{[2
]}

Li, Heng ^{[1
]}

Liu, Yangyang ^{[1
]}

Liu, Haifeng ^{[1
]}

Wang, Xianqu ^{[1
]}

Huang, Jie ^{[1
]}

Liu, Hai ^{[1
]}

Cheng, Jun ^{[1
]}

Li, Ming ^{[3
]}

Geng, Shaofei ^{[3
]}

Xu, Yuhong ^{[1
]}

Tang, Changjian ^{[4
]}

Lei, Guangjiu ^{[3
]}

机构：

[1] Southwest Jiaotong Univ, Inst Fus Sci, Sch Phys Sci & Technol, Chengdu 610041, Peoples R China

[2] Southwest Jiaotong Univ, Sch Phys Sci & Technol, Key Lab Adv Technol Mat, Minist Educ China, Chengdu 610031, Peoples R China

[3] Southwestern Inst Phys, Chengdu 610041, Peoples R China

[4] Sichuan Univ, Sch Phys Sci & Technol, Chengdu 610041, Peoples R China

来源：

FUSION ENGINEERING AND DESIGN | 2020年 / 152卷

基金：

中国国家自然科学基金; 国家重点研发计划;

关键词：

Tungsten-based alloys; First principles; Mechanical properties; Thermodynamic; Properties; ELASTIC-CONSTANTS; TUNGSTEN; PRESSURE;

D O I：

10.1016/j.fusengdes.2019.111451

中图分类号：

TL [原子能技术]; O571 [原子核物理学];

学科分类号：

0827 ; 082701 ;

摘要：

The structural, elastic constants, mechanical properties and thermodynamic properties of WTi, WV, W2Zr, WVTi and WVZr alloys were investigated in this paper by using first-principles calculation based on density functional theory(DFT). Bulk modulus, shear modulus, radio B/G, Poisson's ratio and Young's were derived from elastic data C-ij. And the Debye temperature, melting point and minimum thermal conductivity can be obtained by empirical formulas. The Vickers hardness and Cauchy pressure of WTi, WV, W2Zr, WVTi and WVZr alloys were also calculated in this work. This work provides a theoretical basis for employing and further developing WTi, WV, W2Zr, WVTi and WVZr alloys.

引用

页数：6

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