Issue 30, 2017, Issue in Progress

Comparatively studying the local atomic structures of metallic glasses upon cyclic-loading by computer simulations

Abstract

Based on a newly constructed Ni–Zr potential, Molecular dynamics and Monte Carlo simulations predict the amorphization driving force for each alloy and pinpoint the optimized value of 40 at% Zr. Through a variety of local structural analysis methods, it is revealed that NixZr100−x MGs exhibit a combination of icosahedral-, fcc- and hcp-like configurations, while the icosahedra or distorted icosahedra cover a dominant fraction. Interestingly, the lower-CN clusters, such as 〈0,2,8,1〉, may play a significant role in atomic mobility, while the icosahedron is less sensitive to the faster mobility.

Graphical abstract: Comparatively studying the local atomic structures of metallic glasses upon cyclic-loading by computer simulations

Supplementary files

Article information

Article type
Paper
Submitted
14 Jan 2017
Accepted
13 Mar 2017
First published
27 Mar 2017
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2017,7, 18358-18365

Comparatively studying the local atomic structures of metallic glasses upon cyclic-loading by computer simulations

M. H. Yang, J. H. Li and B. X. Liu, RSC Adv., 2017, 7, 18358 DOI: 10.1039/C7RA00570A

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