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Philosophical Magazine Volume 99, 2019 - Issue 8
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Part A: Materials Science

Pressure-dependence of mechanical and thermodynamic properties of Al3Zr in Al–Li alloys from first-principles calculations

Hanqing HuangKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of ChinaView further author information
,
Weicheng WangKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of ChinaView further author information
,
Qiuhong YuanPhysical Science and Technology College, Yichun University, Yichun, People’s Republic of ChinaView further author information
,
Xixin RaoKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of ChinaView further author information
,
Yuhai JingKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of ChinaView further author information
,
Guangbin YiKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of ChinaView further author information
,
Lan LuoKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of China;School of Materials Science and Engineering, Nanchang University, Nanchang, People’s Republic of ChinaView further author information
&
Yong LiuKey Laboratory of Lightweight and High Strength Structural Materials of Jiangxi Province, School of Mechatronics Engineering, Nanchang University, Nanchang, People’s Republic of ChinaCorrespondence[email protected] [email protected]
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Pages 971-991 | Received 24 Jun 2018, Accepted 05 Jan 2019, Published online: 27 Jan 2019

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Yuhao Guo, Weicheng Wang, Hanqing Huang, HanHan Zhao, Yuhai Jing, Guangbin Yi, Lan Luo & Yong Liu. (2020) Effect of doping Zn atom on the structural stability, mechanical and thermodynamic properties of AlLi phase in Mg–Li alloys from first-principles calculations. Philosophical Magazine 100:14, pages 1849-1867.
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Articles from other publishers (10)

Guangquan Li, Deyuan Li, Nannan Zhang, Xining Fan & Haiming Zhang. (2023) Study on In Situ Formation of Intermetallic Compounds and Oxygen Adsorption of Ni/Al Coating. Journal of Thermal Spray Technology 32:6, pages 1828-1839.
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Juan-Ricardo Castillo-Sánchez, Aïmen E. Gheribi, Paul Lafaye, Georges Salloum-Abou-Jaoude & Jean-Philippe Harvey. (2023) Investigation of silicon sublattice substitution within (Al,Si) 3 Zr intermetallics via DFT simulations . IOP Conference Series: Materials Science and Engineering 1281:1, pages 012055.
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Haitao Wang, Qinglong Cai, Dekao Hu, Yanling Wang & Tao Yang. (2023) Prediction of heat-resistant Al–Fe–Cu–Zr alloy from first-principles calculations: Stoichiometries, electronic structure, and physical properties. Materials Chemistry and Physics, pages 127843.
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Hassan Alipour, Ali Hamedani & Ghasem Alahyarizadeh. (2023) First-principles calculations to investigate the thermal response of the ZrC (1− x ) N x ceramics at extreme conditions . High Temperature Materials and Processes 42:1.
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Jiahao Wang, Chunlin Du, Ruizhi Wu, Lin Xu, Jing Feng, Jinghuai Zhang, Legan Hou, Meiduo Liu & Bin Liu. (2022) Effect of Li content on electromagnetic shielding effectiveness in binary Mg–Li alloys: a combined experimental and first-principles study. Journal of Materials Science: Materials in Electronics 33:7, pages 3891-3900.
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Ling Ou, Lin-Yan Li, Fan-Cai He, Yu-Feng Nie & Shi-Chen Li. (2022) Effect of strain on the formation of Guinier—Preston zone in Al—Cu alloys from first-principles. Materials Express 12:2, pages 369-372.
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Li Liu, Jian-Tang Jiang, Xiang-Yuan Cui, Bo Zhang, Liang Zhen & Simon P. Ringer. (2022) Correlation between precipitates evolution and mechanical properties of Al-Sc-Zr alloy with Er additions. Journal of Materials Science & Technology 99, pages 61-72.
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Duanzhi Wang & Zhengbing Xiao. (2022) Revealing the Al/L12-Al3Zr inter-facial properties: Insights from first-principles calculations. Vacuum 195, pages 110620.
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Jarmo Kalilainen, Sergii Nichenko & Jiri Krepel. (2020) Evaporation of materials from the molten salt reactor fuel under elevated temperatures. Journal of Nuclear Materials 533, pages 152134.
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Chunmei Li, Xianquan Jiang, Nanpu Cheng, Zhiqian Chen & Jianfeng Tang. (2019) Thickness-dependent Strengthening Effect of Grain Refiner Al 3 Zr and Al 3 (Zr,Sc) in Al Alloys . IOP Conference Series: Materials Science and Engineering 585:1, pages 012027.
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