| Mechanical and thermodynamic properties of plutonium dihydride | |
Zheng, JJ; Li, WD ; Li, SN; Zhang, P; Wang, BT; Wang BT(王保田)
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| 2018 | |
| Source Publication | JOURNAL OF ALLOYS AND COMPOUNDS
 |
| ISSN | 0925-8388 |
| EISSN | 1873-4669 |
| Volume | 750Pages:258-264 |
| Subtype | Article |
| Abstract | 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. |
| Keyword | First-principles Mechanical properties Thermodynamic properties Plutonium dihydride |
| DOI | 10.1016/j.jallcom.2018.03.374 |
| WOS Keyword | ELECTRONIC-PROPERTIES ; THERMAL-CONDUCTIVITY ; PHASE-TRANSITIONS ; 1ST-PRINCIPLES ; STABILITY ; PRESSURE ; ALPHA-UH3 ; ACTINIUM ; HYDRIDES ; DIOXIDE |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS Research Area | Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS Subject | Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:000432668500032 |
| EI Accession Number | 20181504993026 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ihep.ac.cn/handle/311005/285981 |
| Collection | 东莞研究部 计算中心 |
| Corresponding Author | Wang BT(王保田) |
| Affiliation | 中国科学院高能物理研究所 |
| First Author Affilication | Institute of High Energy |
| Corresponding Author Affilication | Institute of High Energy |
| Recommended Citation GB/T 7714 | Zheng, JJ,Li, WD,Li, SN,et al. Mechanical and thermodynamic properties of plutonium dihydride[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2018,750:258-264. |
| APA | Zheng, JJ,Li, WD,Li, SN,Zhang, P,Wang, BT,&王保田.(2018).Mechanical and thermodynamic properties of plutonium dihydride.JOURNAL OF ALLOYS AND COMPOUNDS,750,258-264. |
| MLA | Zheng, JJ,et al."Mechanical and thermodynamic properties of plutonium dihydride".JOURNAL OF ALLOYS AND COMPOUNDS 750(2018):258-264. |
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