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Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

TitleEvolution of local atomic structure during solidification of Al2Au liquid: An ab initio study
Publication TypeJournal Article
Year of Publication2014
AuthorsXiong, LH, Lou, HB, Wang, XD, Debela, TT, Cao, QP, Zhang, DX, Wang, SY, Wang, CZ, Jiang, JZ
JournalActa Materialia
Volume68
Pagination1-8
Date Published04
Type of ArticleArticle
ISBN Number1359-6454
Accession NumberWOS:000334002200001
KeywordsAb initio molecular, Al2Au, aluminum-gold, dynamics simulations, metallic glasses, molecular-dynamics, packing, phase, range order, solidification, Structural evolution
Abstract

with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

DOI10.1016/j.actamat.2014.01.004
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Structures and Dynamics