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Title: Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses

Abstract

In glassy materials, the Johari–Goldstein secondary (β) relaxation is crucial to many properties as it is directly related to local atomic motions. However, a long-standing puzzle remains elusive: why some glasses exhibit β relaxations as pronounced peaks while others present as unobvious excess wings? Using microsecond atomistic simulation of two model metallic glasses (MGs), we demonstrate that such a difference is associated with the number of string-like collective atomic jumps. Relative to that of excess wings, we find that MGs having pronounced β relaxations contain larger numbers of such jumps. Structurally, they are promoted by the higher tendency of cage-breaking events of their neighbors. Furthermore, our results provide atomistic insights for different signatures of the β relaxation that could be helpful for understanding the low-temperature dynamics and properties of MGs.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3];  [3]; ORCiD logo [4]; ORCiD logo [5];  [5]; ORCiD logo [6];  [7]
  1. Huazhong University of Science and Technology, Hubei (China)
  2. Ames Lab., Ames, IA (United States); Tsinghua Univ., Beijing (China)
  3. Ames Lab., Ames, IA (United States)
  4. Tsinghua Univ., Beijing (China)
  5. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  6. Arizona State Univ., Tempe, AZ (United States)
  7. Univ. Gottingen, Gottingen (Germany)
Publication Date:
Research Org.:
Ames Lab., Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1478229
Report Number(s):
IS-J-9788
Journal ID: ISSN 1948-7185
Grant/Contract Number:  
AC02-07CH11358
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 9; Journal Issue: 19; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Yu, Hai -Bin, Yang, Meng -Hao, Sun, Yang, Zhang, Feng, Liu, Jian -Bo, Wang, C. Z., Ho, K. M., Richert, Ranko, and Samwer, Konrad. Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses. United States: N. p., 2018. Web. doi:10.1021/acs.jpclett.8b02629.
Yu, Hai -Bin, Yang, Meng -Hao, Sun, Yang, Zhang, Feng, Liu, Jian -Bo, Wang, C. Z., Ho, K. M., Richert, Ranko, & Samwer, Konrad. Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses. United States. https://doi.org/10.1021/acs.jpclett.8b02629
Yu, Hai -Bin, Yang, Meng -Hao, Sun, Yang, Zhang, Feng, Liu, Jian -Bo, Wang, C. Z., Ho, K. M., Richert, Ranko, and Samwer, Konrad. Fri . "Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses". United States. https://doi.org/10.1021/acs.jpclett.8b02629. https://www.osti.gov/servlets/purl/1478229.
@article{osti_1478229,
title = {Fundamental Link between β Relaxation, Excess Wings, and Cage-Breaking in Metallic Glasses},
author = {Yu, Hai -Bin and Yang, Meng -Hao and Sun, Yang and Zhang, Feng and Liu, Jian -Bo and Wang, C. Z. and Ho, K. M. and Richert, Ranko and Samwer, Konrad},
abstractNote = {In glassy materials, the Johari–Goldstein secondary (β) relaxation is crucial to many properties as it is directly related to local atomic motions. However, a long-standing puzzle remains elusive: why some glasses exhibit β relaxations as pronounced peaks while others present as unobvious excess wings? Using microsecond atomistic simulation of two model metallic glasses (MGs), we demonstrate that such a difference is associated with the number of string-like collective atomic jumps. Relative to that of excess wings, we find that MGs having pronounced β relaxations contain larger numbers of such jumps. Structurally, they are promoted by the higher tendency of cage-breaking events of their neighbors. Furthermore, our results provide atomistic insights for different signatures of the β relaxation that could be helpful for understanding the low-temperature dynamics and properties of MGs.},
doi = {10.1021/acs.jpclett.8b02629},
journal = {Journal of Physical Chemistry Letters},
number = 19,
volume = 9,
place = {United States},
year = {2018},
month = {9}
}

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Figures / Tables:

Figure 1 Figure 1: Probing β relaxation and Excess wing in MGs. The storage ($E’$) and loss ($E’’$) moduli of Ni80P20 model MG (a,d,g; i.e., the first column, data taken from ref.29), and Y65Cu35 mode MG (b,e,h; i.e., the second column) at different testing periodic $t$$ω$ as indicated. (c,f,i; i.e.; the thirdmore » column) Compassions of normalized $E’’$ as a function of scaled temperature at different values of $t$$ω$. The blue and yellow shaded areas are two functions to fit the global $E”$ of Ni80P20; however for Y65Cu35 the fittings are elusive and thus not conducted. The blue arrows in the middle column indicated temperature that $E’’$ most likely deviate from a single peak profile. The red arrows in (a) and (b) indicated the glass transition temperature ($T$g) independently determined from the volume-temperature relation during cooling.« less

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Works referencing / citing this record:

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