Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass

Fuente: arXiv
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Hauptverfasser: Ma, Lin, Yang, Xiao-Dong, Yang, Feng, Zhou, Xin-Jia, Wu, Zhen-Wei
Format: Preprint
Veröffentlicht: 2024
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_version_ 1866914725739102208
author Ma, Lin
Yang, Xiao-Dong
Yang, Feng
Zhou, Xin-Jia
Wu, Zhen-Wei
author_facet Ma, Lin
Yang, Xiao-Dong
Yang, Feng
Zhou, Xin-Jia
Wu, Zhen-Wei
contents The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest stage evolution of the local atomic clusters show no strong correlation with their initial short-range orders, and this leads to an observation of a novel symmetry convergence phenomenon, which can be understood as an atomic structure manifestation of the ergodicity. Furthermore, in our system we have quantitatively proved that the crucial factor for the thermal stability against crystallization exhibited by the metallic glass, is not the total amount of icosahedral clusters, but the degree of global connectivity among them.
format Preprint
id arxiv_https___arxiv_org_abs_2402_01325
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass
Ma, Lin
Yang, Xiao-Dong
Yang, Feng
Zhou, Xin-Jia
Wu, Zhen-Wei
Materials Science
Disordered Systems and Neural Networks
The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation. It is found that the initial thermal stability and earliest stage evolution of the local atomic clusters show no strong correlation with their initial short-range orders, and this leads to an observation of a novel symmetry convergence phenomenon, which can be understood as an atomic structure manifestation of the ergodicity. Furthermore, in our system we have quantitatively proved that the crucial factor for the thermal stability against crystallization exhibited by the metallic glass, is not the total amount of icosahedral clusters, but the degree of global connectivity among them.
title Unveiling the early stage evolution of local atomic structures in the crystallization process of a metallic glass
topic Materials Science
Disordered Systems and Neural Networks
url https://arxiv.org/abs/2402.01325