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Effect of Ta content on elastic properties and magnetic properties of Zr-Ta binary alloys via first-principles calculation

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成果类型:
期刊论文
作者:
Li, Zhuang*;Zhang, Zhongde;Lei, Shan;Gao, Yi
通讯作者:
Li, Zhuang;Lei, S
作者机构:
[Lei, Shan; Li, Zhuang; Gao, Yi] Hunan City Univ, Dept Phys, Yiyang 413000, Hunan, Peoples R China.
[Lei, Shan; Li, Zhuang] Hunan City Univ, All Solid state Energy Storage Mat & Devices Key L, Yiyang 413000, Peoples R China.
[Zhang, Zhongde] Xiangtan Univ, Sch Mat Sci & Engn, Xiangtan 411105, Hunan, Peoples R China.
通讯机构:
[Li, Z; Lei, S ] H
Hunan City Univ, Dept Phys, Yiyang 413000, Hunan, Peoples R China.
Hunan City Univ, All Solid state Energy Storage Mat & Devices Key L, Yiyang 413000, Peoples R China.
语种:
英文
关键词:
Zr-Ta Alloys;elastic modulus;magnetism;first-principles calculations
期刊:
PHYSICA SCRIPTA
ISSN:
0031-8949
年:
2024
卷:
99
期:
12
页码:
125990
基金类别:
Undergraduate Innovation and Entrepreneurship Training Program of Hunan Province; Hunan Provincial Natural Science Foundation of China [2023JJ50054]; [S202411527051]
机构署名:
本校为第一且通讯机构
院系归属:
信息与电子工程学院
摘要:
beta-type Zirconium alloys are promising biomedical implant materials, the elastic and magnetic properties of which are of great importance to be studied. In this work, beta-type Zr1-xTax binary alloys (x = 0.0625, 0.125, 0.1875, 0.25, 0.3125, 0.375, 0.4375, 0.50, 0.5625, 0.625, 0.6875, 0.75, 0.8125, 0.875, 0.9375) were established. The effects of Ta content on lattice constant, elastic properties and magnetic properties of beta-type Zr-Ta alloys were investigated via first-principles calculations, the calculated results were also verified through experiments. The results shown that with the i...

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