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Effects of Short-Range Order on the Magnetic and Mechanical Properties of FeCoNi(AlSi)(x) High Entropy Alloys
Feng, Wenqiang; Qi, Yang; Wang, Shaoqing; Feng, WQ (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.; Feng, WQ (reprint author), Univ Sci & Technol Liaoning, Coll Sci, Anshan 114051, Peoples R China.; Feng, WQ (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
2017-11-01
发表期刊MDPI AG
ISSN2075-4701
卷号7期号:11页码:-
摘要The properties of a material are sensitive to chemically-ordered structure in multi-element alloys. Understanding the effects of chemical short-range order (SRO) on magnetic and mechanical properties is important. In this work, we use the Monte Carlo method in combination with density functional theory to investigate atomic nearest neighbor distribution, magnetic moment and elastic modulus in FeCoNi (AlSi)(x) alloys. It is found that the prominent feature of the FeCoNi (AlSi)(x) alloys is the change of SRO parameters: the SRO parameters are positive between Al-Al, Al-Si, Si-Si pairs and negative between Ni-Al, Co-Si, Fe-Co, Ni-Si and Fe-Si pairs. The Al and Si elements tend to bond with Fe, Co, Ni elements to form an SRO structure. The change of the atomic nearest neighbor environment leads to a reduction in the atomic magnetic moments of magnetic elements. The calculated saturation magnetizations by considering the effect of SRO are in good accord with the experimental values. We further show that SRO leads to an increase of the elastic modulus, by sacrificing ductility and isotropy. In the study of the structure and properties of high entropy alloys, the effect of SRO should not be ignored.; The properties of a material are sensitive to chemically-ordered structure in multi-element alloys. Understanding the effects of chemical short-range order (SRO) on magnetic and mechanical properties is important. In this work, we use the Monte Carlo method in combination with density functional theory to investigate atomic nearest neighbor distribution, magnetic moment and elastic modulus in FeCoNi (AlSi)(x) alloys. It is found that the prominent feature of the FeCoNi (AlSi)(x) alloys is the change of SRO parameters: the SRO parameters are positive between Al-Al, Al-Si, Si-Si pairs and negative between Ni-Al, Co-Si, Fe-Co, Ni-Si and Fe-Si pairs. The Al and Si elements tend to bond with Fe, Co, Ni elements to form an SRO structure. The change of the atomic nearest neighbor environment leads to a reduction in the atomic magnetic moments of magnetic elements. The calculated saturation magnetizations by considering the effect of SRO are in good accord with the experimental values. We further show that SRO leads to an increase of the elastic modulus, by sacrificing ductility and isotropy. In the study of the structure and properties of high entropy alloys, the effect of SRO should not be ignored.
部门归属[feng, wenqiang] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, liaoning, peoples r china ; [feng, wenqiang] univ sci & technol liaoning, coll sci, anshan 114051, peoples r china ; [feng, wenqiang] univ chinese acad sci, beijing 100049, peoples r china ; [qi, yang] northeastern univ, coll sci, shenyang 110819, liaoning, peoples r china
关键词High Entropy Alloys Short-range Order Monte Carlo Simulation Density Functional Theory
学科领域Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
资助者National Natural Science Foundation of China [51471164]; National Key R&D Program of China [2016YFB0701302]; CAS Frontier Science Research Project [QYZDJ-SSW-JSC015]; Informalization Construction Project of Chinese Academy of Sciences during the 11th Five-Year Plan Period [INFO-115-B01]
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/79002
专题中国科学院金属研究所
通讯作者Feng, WQ (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China.; Feng, WQ (reprint author), Univ Sci & Technol Liaoning, Coll Sci, Anshan 114051, Peoples R China.; Feng, WQ (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
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GB/T 7714
Feng, Wenqiang,Qi, Yang,Wang, Shaoqing,et al. Effects of Short-Range Order on the Magnetic and Mechanical Properties of FeCoNi(AlSi)(x) High Entropy Alloys[J]. MDPI AG,2017,7(11):-.
APA Feng, Wenqiang,Qi, Yang,Wang, Shaoqing,Feng, WQ ,Feng, WQ ,&Feng, WQ .(2017).Effects of Short-Range Order on the Magnetic and Mechanical Properties of FeCoNi(AlSi)(x) High Entropy Alloys.MDPI AG,7(11),-.
MLA Feng, Wenqiang,et al."Effects of Short-Range Order on the Magnetic and Mechanical Properties of FeCoNi(AlSi)(x) High Entropy Alloys".MDPI AG 7.11(2017):-.
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