Atomic-Level Study in the Structure and Its Instability of Metallic Glasses
Received date: 2020-12-22
Revised date: 2021-02-04
Online published: 2021-03-05
Supported by
National Natural Science Foundation of China(U1930402);Science Challenge Project
Owing to limitations in the spatial and temporal resolution of the current experimental research technologies, the heterogeneity of a disordered structure poses a great challenge to the experimental study of atomic-level behaviors of amorphous alloys. Computational simulation can be a powerful tool in the understanding of such amorphous structures and their response at the atomic level. However, owing to the limitations of multielement interactions, computational approaches, and computational capability, there is still an insurmountable gap between the model systems used in computational simulation and real amorphous alloy materials. Combining the power of the modern computing technology, software, and algorithms, the exploration and development of hihgly effective computational approaches that can be applied to the simulation of amorphous alloys is a potential way to address this long-term challenge. This article reviews recent progress in the computational study of atomic structure and structural instability in metallic glasses, the role that such computational approaches can play in the understanding and the modification of material properties, and in the optimization of material preparation. A brief perspective on the research areas of the computational simulation of metallic glasses is also proposed.
Pengfei GUAN , Shengjun SUN . Atomic-Level Study in the Structure and Its Instability of Metallic Glasses[J]. Acta Metall Sin, 2021 , 57(4) : 501 -514 . DOI: 10.11900/0412.1961.2020.00514
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