Mechanical and thermodynamic properties of 伪-UH3 under pressure
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- 作者：Chao Zhanga ; apzhangc@gmail.com" class="auth_mail ; Hong Jianga ; Hong-Liang Shib ; Guo-Hua Zhongc ; Yue-Hua Sua
- 关键词：Actinide alloys and compounds ; High pressure ; Mechanical properties ; Thermodynamic properties ; First-principles calculations ; Uranium trihydride
- 刊名：Journal of Alloys and Compounds
- 出版年：15 August 2014
- 年：2014
- 卷：604
- 期：Complete
- 页码：171-174
- 全文大小：775 K
文摘
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High-pressure behavior of 伪-UH3 has been studied using first-principles calculations.
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The 伪-UH3 is stable up to 20 GPa from elastic constants.
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Under pressure, the high-frequency vibration modes shift upward.
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The entropy and heat capacity increase with pressure increasing.