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Mechanical and thermodynamic properties of plutonium dihydride
Zheng, JJ; Li, WD; Li, SN; Zhang, P; Wang, BT; Wang BT(王保田)
2018
Source PublicationJOURNAL OF ALLOYS AND COMPOUNDS
ISSN0925-8388
EISSN1873-4669
Volume750Pages:258-264
SubtypeArticle
AbstractWe 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.
KeywordFirst-principles Mechanical properties Thermodynamic properties Plutonium dihydride
DOI10.1016/j.jallcom.2018.03.374
WOS KeywordELECTRONIC-PROPERTIES ; THERMAL-CONDUCTIVITY ; PHASE-TRANSITIONS ; 1ST-PRINCIPLES ; STABILITY ; PRESSURE ; ALPHA-UH3 ; ACTINIUM ; HYDRIDES ; DIOXIDE
Indexed BySCI ; EI
Language英语
WOS Research AreaChemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000432668500032
EI Accession Number20181504993026
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/285981
Collection东莞研究部
计算中心
Corresponding AuthorWang BT(王保田)
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
Corresponding Author AffilicationInstitute 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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