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Solute-solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: a molecular dynamics study

TitleSolute-solute correlations responsible for the prepeak in structure factors of undercooled Al-rich liquids: a molecular dynamics study
Publication TypeJournal Article
Year of Publication2015
AuthorsZhang, F, Sun, Y, Ye, Z, Zhang, Y, Wang, CZ, Mendelev, MI, Ott, RT, Kramer, MJ, Ding, ZJ, Ho, KM
JournalJournal of Physics-Condensed Matter
Volume27
Pagination205701
Date Published05
Type of ArticleArticle
ISBN Number0953-8984
Accession NumberWOS:000354070400010
Keywordsalloys, amorphous al90fexce10-x, atomic-structure, diffraction, glasses, intermediate, metallic liquids, metals, Molecular dynamics, order, prepeak, sm, structure factor
Abstract

originating from the large affinity between Al and Sm atoms, and the intrinsic repulsion between Sm atoms gives rise to a stronger correlation in the second peak than the first peak in the Sm-Sm partial pair correlation function (PPCF), which in turn produces the prepeak in the structure factor.

DOI10.1088/0953-8984/27/20/205701
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Structures and Dynamics