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Title: Predicting Complex Relaxation Processes in Metallic Glass

Abstract

Relaxation processes significantly influence the properties of glass materials. However, understanding their specific origins is difficult; even more challenging is to forecast them theoretically. In this study, using microseconds molecular dynamics simulations together with an accurate many-body interaction potential, we predict that an Al90Sm10 metallic glass would have complex relaxation behaviors: In addition to the main (α) relaxation, the glass (i) shows a pronounced secondary (β) relaxation at cryogenic temperatures and (ii) exhibits an anomalous relaxation process (α2) accompanying α relaxation. Both of the predictions are verified by experiments. Computational simulations reveal the microscopic origins of relaxation processes: while the pronounced β relaxation is attributed to the abundance of stringlike cooperative atomic rearrangements, the anomalous α2 process is found to correlate with the decoupling of the faster motions of Al with slower Sm atoms. The combination of simulations and experiments represents a first glimpse of what may become a predictive routine and integral step for glass physics.

Authors:
ORCiD logo [1];  [2];  [2];  [1];  [1];  [1];  [1];  [2]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics
  2. Huazhong Univ. of Science and Technology, Wuhan (China). Wuhan National High Magnetic Field Center and School of Physics
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1562528
Alternate Identifier(s):
OSTI ID: 1560724
Report Number(s):
IS-J-9999
Journal ID: ISSN 0031-9007; PRLTAO; TRN: US2000754
Grant/Contract Number:  
51601064; AC02-07CH11358; 2018KFYXKJC009
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 123; Journal Issue: 10; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Sun, Yang, Peng, Si-Xu, Yang, Qun, Zhang, Feng, Yang, Meng-Hao, Wang, Cai-Zhuang, Ho, Kai-Ming, and Yu, Hai-Bin. Predicting Complex Relaxation Processes in Metallic Glass. United States: N. p., 2019. Web. doi:10.1103/PhysRevLett.123.105701.
Sun, Yang, Peng, Si-Xu, Yang, Qun, Zhang, Feng, Yang, Meng-Hao, Wang, Cai-Zhuang, Ho, Kai-Ming, & Yu, Hai-Bin. Predicting Complex Relaxation Processes in Metallic Glass. United States. doi:10.1103/PhysRevLett.123.105701.
Sun, Yang, Peng, Si-Xu, Yang, Qun, Zhang, Feng, Yang, Meng-Hao, Wang, Cai-Zhuang, Ho, Kai-Ming, and Yu, Hai-Bin. Fri . "Predicting Complex Relaxation Processes in Metallic Glass". United States. doi:10.1103/PhysRevLett.123.105701. https://www.osti.gov/servlets/purl/1562528.
@article{osti_1562528,
title = {Predicting Complex Relaxation Processes in Metallic Glass},
author = {Sun, Yang and Peng, Si-Xu and Yang, Qun and Zhang, Feng and Yang, Meng-Hao and Wang, Cai-Zhuang and Ho, Kai-Ming and Yu, Hai-Bin},
abstractNote = {Relaxation processes significantly influence the properties of glass materials. However, understanding their specific origins is difficult; even more challenging is to forecast them theoretically. In this study, using microseconds molecular dynamics simulations together with an accurate many-body interaction potential, we predict that an Al90Sm10 metallic glass would have complex relaxation behaviors: In addition to the main (α) relaxation, the glass (i) shows a pronounced secondary (β) relaxation at cryogenic temperatures and (ii) exhibits an anomalous relaxation process (α2) accompanying α relaxation. Both of the predictions are verified by experiments. Computational simulations reveal the microscopic origins of relaxation processes: while the pronounced β relaxation is attributed to the abundance of stringlike cooperative atomic rearrangements, the anomalous α2 process is found to correlate with the decoupling of the faster motions of Al with slower Sm atoms. The combination of simulations and experiments represents a first glimpse of what may become a predictive routine and integral step for glass physics.},
doi = {10.1103/PhysRevLett.123.105701},
journal = {Physical Review Letters},
number = 10,
volume = 123,
place = {United States},
year = {2019},
month = {9}
}

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