Journal
ACTA MATERIALIA
Volume 60, Issue 11, Pages 4506-4513Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2012.04.024
Keywords
Minimum grain size; Stacking fault energy; First-principles theory; Severe plastic deformation
Funding
- Swedish Research Council
- European Research Council
- Swedish Steel Producers' Association
- Carl Tryggers Foundation
- Hungarian Scientific Research Fund [OTKA 84078]
- MoST of China [2011CB606404]
- China Scholarship Council
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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.
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