Related Structure Characters and Stability of Structural Defects in a Metallic Glass

Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr50Cu50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals tha...

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Bibliographic Details
Main Authors: Xiaofeng Niu, Shidong Feng, Shaopeng Pan
Format: Article
Language:English
Published: MDPI AG 2018-03-01
Series:Materials
Subjects:
Online Access:http://www.mdpi.com/1996-1944/11/4/468
Description
Summary:Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr50Cu50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses.
ISSN:1996-1944