| Mechanical and thermodynamic properties of plutonium dihydride | |
| Zheng, Jing-Jing1,3,4; Li, Wei-Dong1; Li, Shi-Na1; Zhang, Ping2; Wang, Bao-Tian3,4 | |
| 刊名 | Journal of alloys and compounds
 |
| 2018-06-25 | |
| 卷号 | 750页码:258-264 |
| 关键词 | First-principles Mechanical properties Thermodynamic properties Plutonium dihydride |
| ISSN号 | 0925-8388 |
| DOI | 10.1016/j.jallcom.2018.03.374 |
| 通讯作者 | Wang, bao-tian(wangbt@ihep.ac.cn) |
| 英文摘要 | We have performed first-principles calculations to study the mechanical and thermodynamic properties of puh2. the polycrystalline mechanical features, including various moduli, poisson's ratio, lame constants, kleinman parameter, and hardness, are calculated according to the well-known voigt-reuss-hill approximation. the results show that both ferromagnetic (fm) and antiferromagnetic (afm) states are mechanically stable. besides, we present the directional dependences of the young's modulus as well as the shear modulus to investigate its mechanical anisotropy. the anharmonic properties of the afm order is explored through computing the mode grfineisen parameters. employing the slack theory, the temperature-dependent behavior of lattice thermal conductivity is obtained to analyze the thermal transportation ability in temperature range of 300-1000 k. (c) 2018 elsevier b.v. all rights reserved. |
| WOS关键词 | ELECTRONIC-PROPERTIES ; THERMAL-CONDUCTIVITY ; PHASE-TRANSITIONS ; 1ST-PRINCIPLES ; STABILITY ; PRESSURE ; ALPHA-UH3 ; ACTINIUM ; HYDRIDES ; DIOXIDE |
| WOS研究方向 | Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS类目 | Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE SA |
| WOS记录号 | WOS:000432668500032 |
| 内容类型 | 期刊论文 |
| URI标识 | http://www.corc.org.cn/handle/1471x/2177480 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Wang, Bao-Tian |
| 作者单位 | 1.Shanxi Univ, Inst Theoret Phys, State Key Lab Quantum Opt & Quantum Opt Devices, Taiyuan 030006, Shanxi, Peoples R China 2.Inst Appl Phys & Computat Math, LCP, Beijing 100088, Peoples R China 3.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 4.Dongguan Neutron Sci Ctr, Dongguan 523803, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zheng, Jing-Jing,Li, Wei-Dong,Li, Shi-Na,et al. Mechanical and thermodynamic properties of plutonium dihydride[J]. Journal of alloys and compounds,2018,750:258-264. |
| APA | Zheng, Jing-Jing,Li, Wei-Dong,Li, Shi-Na,Zhang, Ping,&Wang, Bao-Tian.(2018).Mechanical and thermodynamic properties of plutonium dihydride.Journal of alloys and compounds,750,258-264. |
| MLA | Zheng, Jing-Jing,et al."Mechanical and thermodynamic properties of plutonium dihydride".Journal of alloys and compounds 750(2018):258-264. |
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