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  The effect of yttrium on the generalized stacking fault energies in Mg

Pei, Z., & Li, R. (2017). The effect of yttrium on the generalized stacking fault energies in Mg. Computational Materials Science, 133, 1-5. doi:10.1016/j.commatsci.2017.02.030.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-6504-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-6505-8
Genre: Journal Article

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 Creators:
Pei, Zongrui1, Author              
Li, Rui2, Author              
Affiliations:
1Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863338              
2Atom Probe Tomography, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863384              

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Free keywords: ALLOYS; MAGNESIUMMaterials Science; Generalized stacking fault energy; Mg alloys; First-principles; Comprehensive effect;
 Abstract: For dislocations in non-basal planes in hexagonal close-packed crystalline solids, the corresponding generalized stacking faults (GSFs) are not unique, and the resultant changes of generalized stacking fault energies (GSFEs) by solutes have different trends. We calculate all possible different changes with regards to different solute sites and solute concentrations in an example of {10 (1) over bar1 < 1 (1) over bar 20 > slip system in Mg-Y alloy. These results are employed to evaluate the comprehensive effect of yttrium, which shows yttrium enables dislocations of this type to be more mobile in Mg. Our study also demonstrates that the ultimate effect of yttrium is dominated by the decreased GSFEs. In order to understand the origin of the GSFE changes, the mechanical contributions to the GSFEs are discussed. (C) 2017 Elsevier B.V. All rights reserved.

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Language(s): eng - English
 Dates: 2017-06-01
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Degree: -

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Title: Computational Materials Science
  Abbreviation : Comput. Mater. Sci.
Source Genre: Journal
 Creator(s):
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Publ. Info: Amsterdam : Elsevier
Pages: - Volume / Issue: 133 Sequence Number: - Start / End Page: 1 - 5 Identifier: ISSN: 0927-0256
CoNE: /journals/resource/954925567766