A simple analytical EAM model for bcc metals including Cr and its application

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	A simple analytical EAM model for bcc metals including Cr and its application
	Y. F. Ouyang; B. W. Zhang; S. Z. Liao; Z. P. Jin
	1996
发表期刊	Zeitschrift Fur Physik B-Condensed Matter
ISSN	0722-3277
卷号	101 期号:2 页码:161-168
摘要	An analytical embedded atom method (EAM) model, which can treat bcc transition metal Chromium, has been developed. In this model, a new potential was presented, and a modified term has been introduced to fit the negative Cauchy pressure P-c=(C-12-C-44)/2 for element Cr. The new model was applied to calculating the thermodynamic properties of binary alloys of all bcc transition metals V, Nb, Ta, Cr, Mo, W and Fe. The calculated dilute-solution enthalpies and formation enthalpies of random alloys are in good agreement with the experimental data available, the results from the first-principles calculations, and the results of thermodynamic calculations.
部门归属	acad sinica, int ctr mat phys, shenyang 110015, peoples r china. hunan univ, dept chem & engn, changsha 410082, peoples r china. cent s univ technol, dept mat sci & engn, changsha 410083, peoples r china.;ouyang, yf (reprint author), hunan univ, dept phys, changsha 410082, peoples r china
关键词	Embedded-atom-method Order-disorder Transitions Thermodynamic Properties Iron-vanadium Alloys Hydrogen Cu Pd(111) Ni Pd
URL	查看原文
WOS记录号	WOS:A1996VK95600002
引用统计	被引频次：83[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/38374
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Y. F. Ouyang,B. W. Zhang,S. Z. Liao,et al. A simple analytical EAM model for bcc metals including Cr and its application[J]. Zeitschrift Fur Physik B-Condensed Matter,1996,101(2):161-168.
APA	Y. F. Ouyang,B. W. Zhang,S. Z. Liao,&Z. P. Jin.(1996).A simple analytical EAM model for bcc metals including Cr and its application.Zeitschrift Fur Physik B-Condensed Matter,101(2),161-168.
MLA	Y. F. Ouyang,et al."A simple analytical EAM model for bcc metals including Cr and its application".Zeitschrift Fur Physik B-Condensed Matter 101.2(1996):161-168.