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First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys
Hu, Cui-E1,2; Zeng, Zhao-Yi1,2; Zhang, Lin1; Chen, Xiang-Rong2,3; Cai, Ling-Cang1
Corresponding AuthorHu, Cui-E(cuiehu@126.com)
2010-12-01
Source PublicationSOLID STATE COMMUNICATIONS
ISSN0038-1098
Volume150Issue:47-48Pages:2362-2365
AbstractWe report a first-principles study of the structure and phase transition of CexTh1-x (x = 0.0, 0.2, 0.43, 0.5, 0.6, 0.76 and 1.00) alloys. The structural properties of CexTh1-x under pressure are well predicted. The fcc-bct (face-centered cubic to body-centered tetragonal) transition pressure decreases with the increasing Ce concentration in CexTh1-x. The transition pressure as a function of the Ce concentration of the CexTh1-x alloys can be well described as a second-order polynomial: P = 70.00 - 32.08x - 22.93x(2). (C) 2010 Elsevier Ltd. All rights reserved.
KeywordAlloy Phase transition Density functional theory
Funding OrganizationNational Key Laboratory Fund for Shock Wave and Detonation Physics Research ; National Natural Science Foundation of China ; Doctoral Program of Higher Education
DOI10.1016/j.ssc.2010.09.043
Indexed BySCI
Language英语
Funding ProjectNational Key Laboratory Fund for Shock Wave and Detonation Physics Research[9140C6701010901] ; National Natural Science Foundation of China[10776029] ; National Natural Science Foundation of China[10776022] ; Doctoral Program of Higher Education[20090181110080]
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:000284720300019
PublisherPERGAMON-ELSEVIER SCIENCE LTD
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/102391
Collection中国科学院金属研究所
Corresponding AuthorHu, Cui-E
Affiliation1.China Acad Engn Phys, Inst Fluid Phys, Natl Key Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Peoples R China
2.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China
3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Hu, Cui-E,Zeng, Zhao-Yi,Zhang, Lin,et al. First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys[J]. SOLID STATE COMMUNICATIONS,2010,150(47-48):2362-2365.
APA Hu, Cui-E,Zeng, Zhao-Yi,Zhang, Lin,Chen, Xiang-Rong,&Cai, Ling-Cang.(2010).First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys.SOLID STATE COMMUNICATIONS,150(47-48),2362-2365.
MLA Hu, Cui-E,et al."First-principles investigation of the concentration-dependent phase transition of CexTh1-x alloys".SOLID STATE COMMUNICATIONS 150.47-48(2010):2362-2365.
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