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Bergman-type medium-range order in rapidly quenched Ag0.74Ge0.26 eutectic alloy studied by ab initio molecular dynamics simulation

TitleBergman-type medium-range order in rapidly quenched Ag0.74Ge0.26 eutectic alloy studied by ab initio molecular dynamics simulation
Publication TypeJournal Article
Year of Publication2014
AuthorsKe, FS, Yue, GQ, Shen, B, Dong, F, Wang, SY, Zheng, YX, Chen, LY, Wang, CZ, Ho, KM
JournalActa Materialia
Volume80
Pagination498-504
Date Published11
Type of ArticleArticle
ISBN Number1359-6454
Accession NumberWOS:000344208300045
KeywordsAb initio molecular dynamics, gold, liquid, Local structure, Medium-range order, metallic glasses, phase, Short-range order, systems
Abstract

e MD simulations. Using the ACA method, the development of icosahedral SRO upon cooling is further confirmed and a Bergman medium-range order is also observed. The analysis of structural properties and chemical short-range order suggests that Ag atoms tend to have a Bergman-like packing, while the dispersed Ge atoms prevent the alloy from forming a long-range order upon cooling. The Bergman medium-range order is also confirmed by the constrained reversed Monte Carlo results. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

DOI10.1016/j.actamat.2014.06.049
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Structures and Dynamics