Quantifying the microstructural inhomogeneity of Zr46Cu46Al8 metallic glasses based on change ratio of polyhedral volume

JOURNAL OF ALLOYS AND COMPOUNDS

卷:731

Article

Feng, S. D.^1,2  Chan, K. C.¹  Liu, R. P.² 

[1] Hong Kong Polytech Univ, Adv Mfg Technol Res Ctr, Dept Ind & Syst Engn, Hong Kong, Hong Kong, Peoples R China

[2] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China

关键词: Metallic glass;    Microstructural inhomogeneity;    Free volume;    Molecular dynamics simulation;   

DOI  :  10.1016/j.jallcom.2017.10.082

来源: Elsevier

【 摘 要 】

The microstructural inhomogeneity of Zr46Cu46Al8 metallic glasses is investigated quantitatively by molecular dynamics simulation. A parameter, the change ratio of polyhedral volume, is used to characterize the microstructural inhomogeneity in metallic glasses. Based on identifying the polyhedral volume expansion and contraction around each atom, the microstructural heterogeneity of metallic glasses can be revealed and quantified. The relation between the redistribution of the free volume and production or annihilation of defects has been established. By molecular dynamics simulations of dynamic mechanical tests, the distribution of the change ratio of polyhedral volume is correlated to dynamic heterogeneities in metallic glasses at the atomic level. Our work opens a new technologically avenue towards the characterization of microstructural inhomogeneity that affects the thermodynamics, dynamics and deformation in metallic glasses. (C) 2017 Elsevier B.V. All rights reserved.

【 授权许可】

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