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Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems
B. W. Zhang; S. Z. Liao; X. L. Shu; H. W. Xie; X. J. Yuan
2013
Source PublicationPhysics of Metals and Metallography
ISSN0031-918X
Volume114Issue:6Pages:457-468
AbstractThe calculation of the formation/mixing enthalpies of binary alloys is an important problem. There have been no systematic theoretical calculations of the mixing enthalpies for group B alloy systems using the famous Miedema theory or from the theoretical methods of first principle. Therefore such calculations for the 21 binary group IIIB-IVB, IIIB-VB and IVB-VB metal alloy systems are performed systematically for the first time using a subregular model. The results show that the agreement between the calculations and experimental data is pretty good and could be accepted from the theoretical or experimental points of view. From the present results and those in other two papers by the authors, it also can be concluded that the subregular model can be used for calculating the mixing enthalpies for all the 36 alloy systems combined with the 9 group B metals of Zn, Cd, Ga, In, Tl, Sn, Pb, Sb and Bi.
description.department[zhang bangwei] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. [zhang bangwei ; yuan xiaojian] hunan univ, coll phys, changsha 410082, hunan, peoples r china. [liao shuzhi ; xie haowen] hunan normal univ, dept phys, minist educ, key lab quantum struct & quantum control, changsha 410081, hunan, peoples r china. [shu xiaolin] beijing univ aeronaut & astronaut, dept phys, beijing 100083, peoples r china. ; zhang, bw (reprint author), chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china. ; zhangbw@hnu.edu.cn
Keywordb Binary Metal Alloys Formation/mixing Enthalpies Systematic Theoretical Calculations Subregular Model Thermodynamic Properties Laves Phases Rare-earth Intermetallic Compounds Solid-electrolyte Metal-alloys Liquid Pb Model Sn Bismuth
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Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/71672
Collection中国科学院金属研究所
Recommended Citation
GB/T 7714
B. W. Zhang,S. Z. Liao,X. L. Shu,et al. Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems[J]. Physics of Metals and Metallography,2013,114(6):457-468.
APA B. W. Zhang,S. Z. Liao,X. L. Shu,H. W. Xie,&X. J. Yuan.(2013).Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems.Physics of Metals and Metallography,114(6),457-468.
MLA B. W. Zhang,et al."Theoretical calculation of the mixing enthalpies of 21 IIIB-IVB, IIIB-VB and IVB-VB binary alloy systems".Physics of Metals and Metallography 114.6(2013):457-468.
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