Computational Materials Science2022,Vol.2036.DOI:10.1016/j.commatsci.2021.111135

Common structural basis of short- and long-time relaxation dynamics in metallic glass-forming liquids

Wu, J. Q. Zhang, H. P. Li, M. Z.
Computational Materials Science2022,Vol.2036.DOI:10.1016/j.commatsci.2021.111135

Common structural basis of short- and long-time relaxation dynamics in metallic glass-forming liquids

Wu, J. Q. 1Zhang, H. P. 2Li, M. Z.1
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作者信息

  • 1. Renmin Univ China
  • 2. Chinese Acad Sci
  • 折叠

Abstract

Classical molecular dynamics simulations were performed for five model metallic glass-forming liquids to investigate the structure correlation with both short-time beta and long-time alpha relaxation dynamics. It is found that Debye-Waller factor characterizing the short-time beta relaxation decreases with increasing five-fold local symmetry in atomic clusters, following a power-law behavior. It is also found that the equation of Debye-Waller factor and alpha-relaxation time, which is widely studied in polymer systems, is applicable in metallic glass-forming systems as well. Furthermore, a new equation is derived for the five-fold local symmetry and alpha-relaxation time, which describes the simulated data very well. These findings indicate that there exist a common structural basis for both the short-time beta-relaxation and the long-time alpha-relaxation dynamics.

Key words

Metallic glass-forming liquids/Relaxation dynamics/Atomic structure/Molecular dynamics simulation/INTERATOMIC POTENTIALS/TRANSITION/SIMULATION/MODEL

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出版年

2022
Computational Materials Science

Computational Materials Science

EISCI
ISSN:0927-0256
被引量1
参考文献量52
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