Determining the minimum grain size in severe plastic deformation process via first-principles calculations

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	Determining the minimum grain size in severe plastic deformation process via first-principles calculations
	S. Lu; Q. M. Hu; E. K. Delczeg-Czirjak; B. Johansson; L. Vitos
	2012
发表期刊	Acta Materialia
ISSN	1359-6454
卷号	60 期号:11 页码:4506-4513
摘要	Although the stacking fault energy (SFE) is a fundamental variable determining the minimum grain size (d(min)) obtainable in severe plastic deformation (SPD) processes, its accurate measurement is difficult. Here we establish the SFEs of binary Pd-Ag, Pd-Cu, Pt-Cu and Ni-Cu solid solutions using the axial interaction model and the supercell model in combination with first-principles theory. The two models yield consistent formation energies. For Pd-Ag, Pd-Cu and Ni-Cu, the theoretical SFEs agree well with those from the experimental measurements. For Pt-Cu no experimental results are available, and thus our calculated SFEs represent the first reasonable predictions. We discuss the correlation of the SFE and d(min), in SPD experiments and show that the d(min) values can be evaluated from first-principles calculations. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
部门归属	[lu, song; delczeg-czirjak, erna krisztina; johansson, borje; vitos, levente] royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden. [hu, qing-miao] chinese acad sci, shenyang natl lab mat sci, inst met res, shenyang 110016, peoples r china. [johansson, borje; vitos, levente] uppsala univ, div mat theory, dept phys & astron, se-751210 uppsala, sweden. [vitos, levente] res inst solid state phys & opt, h-1525 budapest, hungary.;lu, s (reprint author), royal inst technol, dept mat sci & engn, se-10044 stockholm, sweden.;songlu@mse.kth.se; qmhu@imr.ac.cn
关键词	Minimum Grain Size Stacking Fault Energy First-principles Theory Severe Plastic Deformation Stacking-fault Energy Austenitic Stainless-steels Cu-al Alloys Electronic Topological Transitions Channel-angular-extrusion Metallic Random Alloys High-pressure Torsion Copper-nickel-alloys Pd-ag Alloys Mechanical-properties
URL	查看原文
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60139
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,E. K. Delczeg-Czirjak,et al. Determining the minimum grain size in severe plastic deformation process via first-principles calculations[J]. Acta Materialia,2012,60(11):4506-4513.
APA	S. Lu,Q. M. Hu,E. K. Delczeg-Czirjak,B. Johansson,&L. Vitos.(2012).Determining the minimum grain size in severe plastic deformation process via first-principles calculations.Acta Materialia,60(11),4506-4513.
MLA	S. Lu,et al."Determining the minimum grain size in severe plastic deformation process via first-principles calculations".Acta Materialia 60.11(2012):4506-4513.