Mechanical and thermodynamic properties of plutonium dihydride
文献类型：期刊论文
| 作者 | Li, SN; Zheng, JJ; Li, WD ; Zhang, P; Wang, BT; Wang BT(王保田)
|
| 刊名 | JOURNAL OF ALLOYS AND COMPOUNDS
 |
| 出版日期 | 2018 |
| 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 |
| 文献子类 | Article |
| 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. |
| 电子版国际标准刊号 | 1873-4669 |
| 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 |
| 语种 | 英语 |
| WOS记录号 | WOS:000432668500032 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/285981]  |
| 专题 | 高能物理研究所_东莞分部 高能物理研究所_计算中心 |
| 通讯作者 | Wang BT(王保田) |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Li, SN,Zheng, JJ,Li, WD,et al. Mechanical and thermodynamic properties of plutonium dihydride[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2018,750:258-264. |
| APA | Li, SN,Zheng, JJ,Li, WD,Zhang, P,Wang, BT,&王保田.(2018).Mechanical and thermodynamic properties of plutonium dihydride.JOURNAL OF ALLOYS AND COMPOUNDS,750,258-264. |
| MLA | Li, SN,et al."Mechanical and thermodynamic properties of plutonium dihydride".JOURNAL OF ALLOYS AND COMPOUNDS 750(2018):258-264. |
入库方式： OAI收割
来源：高能物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。