First-principles determination of the alpha-alpha ' interfacial energy in Fe-Cr alloys

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	First-principles determination of the alpha-alpha ' interfacial energy in Fe-Cr alloys
	S. Lu; Q. M. Hu; R. Yang; B. Johansson; L. Vitos
	2010
发表期刊	Physical Review B
ISSN	1098-0121
卷号	82 期号:19
摘要	The interfacial energies (gamma) between the Cr-rich alpha'-Fe(x)Cr(1-x) and Fe-rich alpha-Fe(1-y)Cr(y) phases (0 < x, y < 0.35) are calculated to be between similar to 0.02 and similar to 0.33 J m(-2) for the ferromagnetic state and between similar to 0.02 and similar to 0.27 J m(-2) for the paramagnetic state. Although for both magnetic states, the interfacial energy follows a general decreasing trend with increasing x and y, the fine structures of the gamma(x, y) maps exhibit a marked magnetic state dependence. The subtleties are shown to be ascribed to the magnetic interaction between the Fe and Cr atoms near the interface. The theoretical results are applied to estimate the critical grain size for nucleation and growth in Fe-Cr stainless steel alloys.
部门归属	[hu, qing-miao; yang, rui] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [lu, song; hu, qing-miao; johansson, borje; vitos, levente] royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. [johansson, borje; vitos, levente] uppsala univ, dept phys & mat sci, se-75121 uppsala, sweden. [vitos, levente] res inst solid state phys & opt, h-1525 budapest, hungary.;hu, qm (reprint author), chinese acad sci, shenyang natl lab mat sci, inst met res, 72 wenhua rd, shenyang 110016, peoples r china;qmhu@imr.ac.cn
关键词	Duplex Stainless-steels Spinodal Decomposition Phase-separation Atom-probe Mossbauer System Iron Temperature Scattering Magnetism
URL	查看原文
WOS记录号	WOS:000283709100002
引用统计	被引频次：33[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/321006/31341
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	S. Lu,Q. M. Hu,R. Yang,et al. First-principles determination of the alpha-alpha ' interfacial energy in Fe-Cr alloys[J]. Physical Review B,2010,82(19).
APA	S. Lu,Q. M. Hu,R. Yang,B. Johansson,&L. Vitos.(2010).First-principles determination of the alpha-alpha ' interfacial energy in Fe-Cr alloys.Physical Review B,82(19).
MLA	S. Lu,et al."First-principles determination of the alpha-alpha ' interfacial energy in Fe-Cr alloys".Physical Review B 82.19(2010).