Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary

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	Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary
	R. Yang; D. L. Zhao; Y. M. Wang; S. Q. Wang; H. Q. Ye; C. Y. Wang
	2001
发表期刊	Acta Materialia
ISSN	1359-6454
卷号	49 期号:6 页码:1079-1085
摘要	The effect of alloying elements Cr and Mn on the cohesion of the gamma -iron Sigma 11[1(1) over bar 1]/(11(3) over bar) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang by using the first-principles density functional theory. The electronic properties are studied fur Cr/Fe and Mn/Fe systems. In these systems, the chemical effect of Cr and Mn is in favor of enhancing the cohesion of the grain boundary due to the anisotropic bonding which weakens the bonds in the grain boundary plane, but strengthens those in planes perpendicular to the grain boundary. However, the structural relaxation effect is detrimental to the cohesion of the grain boundary. After synthesizing these two effects, Cr can act as a cohesion enhancer and Mn is an embrittler. (C) 2001 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.
部门归属	chinese acad sci, inst met res, atom imaging solids lab, shenyang 110015, peoples r china. cent iron & steel res inst, beijing, peoples r china.;yang, r (reprint author), chinese acad sci, inst met res, atom imaging solids lab, 72 wenhua rd, shenyang 110015, peoples r china
关键词	Computer Simulation Gamma-iron Grain Boundaries Segregation Electronic-structure Phosphorus Segregation Stainless-steel Embrittlement Austenite Boron Manganese Sulfur Carbon Ni3al
URL	查看原文
WOS记录号	WOS:000168027700014
引用统计	被引频次：41[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/321006/36866
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	R. Yang,D. L. Zhao,Y. M. Wang,et al. Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary[J]. Acta Materialia,2001,49(6):1079-1085.
APA	R. Yang,D. L. Zhao,Y. M. Wang,S. Q. Wang,H. Q. Ye,&C. Y. Wang.(2001).Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary.Acta Materialia,49(6),1079-1085.
MLA	R. Yang,et al."Effects of Cr, Nn on the cohesion of the gamma-iron grain boundary".Acta Materialia 49.6(2001):1079-1085.