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Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys
Qiu, Shi1,2,3; Chen, Shu-Ming3; Naihua, Naihua1,2; Zhou, Jian1,2; Hu, Qing-Miao3; Sun, Zhimei1,2
Corresponding AuthorHu, Qing-Miao(qmhu@imr.ac.cn) ; Sun, Zhimei(zmsun@buaa.edu.cn)
2021-12-15
Source PublicationJOURNAL OF ALLOYS AND COMPOUNDS
ISSN0925-8388
Volume886Pages:8
AbstractLocal chemical ordering influences significantly the mechanical properties of refractory high entropy alloys. In this work, the effects of local chemical ordering on the structural stability and mechanical properties of AlNbVTiZr are investigated by using first-principles simulations. It is shown that the AleZr bond dominates the chemical ordering for ordered configurations. The local ordering enhances the structural stability, elastic property and ideal strength. By taking into account the effects of temperature and pressure, we found that chemical ordering mediates the thermodynamic properties of the AlNbVTiZr alloy, but it has little effect at high pressure. (c) 2021 Elsevier B.V. All rights reserved.
KeywordLocal chemical ordering High entropy alloy First-principles calculations Mechanical properties
Funding OrganizationNational Key Research and Development Program of China, China ; National Natural Science Foundation of China, China
DOI10.1016/j.jallcom.2021.161289
Indexed BySCI
Language英语
Funding ProjectNational Key Research and Development Program of China, China[2017YFB0701700] ; National Natural Science Foundation of China, China[51872017]
WOS Research AreaChemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectChemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000697764400006
PublisherELSEVIER SCIENCE SA
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/167060
Collection中国科学院金属研究所
Corresponding AuthorHu, Qing-Miao; Sun, Zhimei
Affiliation1.Beihang Univ, Int Res Inst Multidisciplinary Sci, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
2.Beihang Univ, Int Res Inst Multidisciplinary Sci, Ctr Integrated Computat Mat Engn, Beijing 100191, Peoples R China
3.Chinese Acad Sci, Inst Met Res, Wenhua Rd 72, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Qiu, Shi,Chen, Shu-Ming,Naihua, Naihua,et al. Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2021,886:8.
APA Qiu, Shi,Chen, Shu-Ming,Naihua, Naihua,Zhou, Jian,Hu, Qing-Miao,&Sun, Zhimei.(2021).Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys.JOURNAL OF ALLOYS AND COMPOUNDS,886,8.
MLA Qiu, Shi,et al."Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys".JOURNAL OF ALLOYS AND COMPOUNDS 886(2021):8.
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