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Structural disorder in metallic glass-forming liquids.

ABSTRACT: We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be directly correlated with potential energy and structural relaxation at the atomic level. Some straightforward relationships between QNA and other properties (per-atom potential energy and ?-relaxation time) are introduced to reflect structure-property relationship in metallic liquids. We believe that the new structural parameter can well reflect structure disorder in metallic liquids and play an important role in understanding various properties in metallic liquids.

SUBMITTER: Pan SP

PROVIDER: S-EPMC4899719 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

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Structural disorder in metallic glass-forming liquids.

Pan Shao-Peng SP Feng Shi-Dong SD Wang Li-Min LM Qiao Jun-Wei JW Niu Xiao-Feng XF Dong Bang-Shao BS Wang Wei-Min WM Qin Jing-Yu JY

Scientific reports 20160609

We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be direc ...[more]

PMID: 27278113

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