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Structural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation

TitleStructural and dynamical properties of liquid Ag74Ge26 alloy studied by experiments and ab initio molecular dynamics simulation
Publication TypeJournal Article
Year of Publication2015
AuthorsXiong, LH, Chen, K, Ke, FS, Lou, HB, Yue, GQ, Shen, B, Dong, F, Wang, SY, Chen, LY, Wang, CZ, Ho, KM, Wang, XD, Lai, LH, Xie, HL, Xiao, TQ, Jiang, JZ
JournalActa Materialia
Volume92
Pagination109-116
Date Published06
Type of ArticleArticle
ISBN Number1359-6454
Accession NumberWOS:000355054600012
KeywordsAb initio molecular dynamics, Ag74Ge26 alloy, density, diffraction, liquid structure, metallic glasses, order, silver, transition, water, x-ray
Abstract

polyhedral become the major short-range orders at low temperature. (iii) The medium-range order which was formed for amorphous phase at ambient temperature persists in the undercooled liquid. In addition, it is found that the diffusion constant of Ag is lower than that of Ge over the studied temperature range. Our findings elucidate that highly dominated short-range order associated with nearest-neighbors shell could empower the development of medium-range order and the formation of metallic glasses. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

DOI10.1016/j.actamat.2015.03.047
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