Journal Article

DESY-2014-02104

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Negative expansions of interatomic distances in metallic melts

Lou, H. (Corresponding author)Extern* ; Wang, X.Extern* ; Cao, Q. ; Zhang, D. ; Zhang, J.Extern* ; Hu, T. ; Mao, H.-K. (Corresponding Author) ; Jiang, J.-Z.Extern*

2013
Academy Washington, DC

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Please use a persistent id in citations: doi:10.1073/pnas.1307967110

Abstract: When a material is heated, generally, it dilates. Here, we find a general trend that the average distance between a center atom and atoms in the first nearest-neighbor shell contracts for several metallic melts upon heating. Using synchrotron X-ray diffraction technique and molecular dynamics simulations, we elucidate that this anomaly is caused by the redistribution of polyhedral clusters affected by temperature. In metallic melts, the high-coordinated polyhedra are inclined to evolve into low-coordinated ones with increasing temperature. As the coordination number decreases, the average atomic distance between a center atom and atoms in the first shell of polyhedral clusters is reduced. This phenomenon is a ubiquitous feature for metallic melts consisting of various-sized polyhedra. This finding sheds light on the understanding of atomic structures and thermal behavior of disordered materials and will trigger more experimental and theoretical studies of liquids, amorphous alloys, glasses, and casting temperature effect on solidification process of crystalline materials.

Note: (c) National Academy of Sciences; Post referee fulltext in progress; Embargo 12 months from publication

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Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. DORIS Beamline BW5 (POF2-54G13) (POF2-54G13)

Experiment(s):

1. DORIS Beamline BW5 (DORIS III)

Appears in the scientific report 2013

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Database coverage:
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