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Title: Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass

Abstract

In this article, molecular dynamics (MD) simulations are performed to study the structure of Ni 62Nb 38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni 62Nb 38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfect icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.

Authors:
 [1];  [2];  [3];  [4];  [4];  [5];  [5];  [6]
  1. Northwestern Polytechnical Univ., Xi'an (China). MOE Key Laboratory of Materials Physics and Chemistry under Extraordinary Conditions, School of Natural and Applied Sciences; Ames Lab. and Iowa State Univ., Ames, IA (United States)
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States)
  3. South China Univ. of Technology (SCUT), Guangzhou (China). School of Materials Science and Engineering
  4. Ames Lab. and Iowa State Univ., Ames, IA (United States); Zhejiang Univ., Hangzhou (China). Dept. of Applied Physics
  5. Ames Lab. and Iowa State Univ., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Physics
  6. Northwestern Polytechnical Univ., Xi'an (China). MOE Key Laboratory of Materials Physics and Chemistry under Extraordinary Conditions, School of Natural and Applied Sciences
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Materials Sciences & Engineering Division; National Energy Research Supercomputing Center (NERSC); National Natural Science Foundation of China (NNSFC)
OSTI Identifier:
1422767
Report Number(s):
IS-J 9575
Journal ID: ISSN 0021-8979; TRN: US1801658
Grant/Contract Number:  
AC02-07CH11358; 51671160; 51271149; 11304279; 11364007; LY18E010007
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 123; Journal Issue: 4; Journal ID: ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Amorphous metals; Amorphous solids; Molecular dynamics; Magnetic ordering; Classical statistical mechanics

Citation Formats

Wen, Tongqi, Sun, Yang, Ye, Beilin, Tang, Ling, Yang, Zejin, Ho, Kai-Ming, Wang, Cai-Zhuang, and Wang, Nan. Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass. United States: N. p., 2018. Web. doi:10.1063/1.5019681.
Wen, Tongqi, Sun, Yang, Ye, Beilin, Tang, Ling, Yang, Zejin, Ho, Kai-Ming, Wang, Cai-Zhuang, & Wang, Nan. Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass. United States. doi:10.1063/1.5019681.
Wen, Tongqi, Sun, Yang, Ye, Beilin, Tang, Ling, Yang, Zejin, Ho, Kai-Ming, Wang, Cai-Zhuang, and Wang, Nan. Wed . "Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass". United States. doi:10.1063/1.5019681.
@article{osti_1422767,
title = {Cooling rate dependence of structural order in Ni 62 Nb 38 metallic glass},
author = {Wen, Tongqi and Sun, Yang and Ye, Beilin and Tang, Ling and Yang, Zejin and Ho, Kai-Ming and Wang, Cai-Zhuang and Wang, Nan},
abstractNote = {In this article, molecular dynamics (MD) simulations are performed to study the structure of Ni62Nb38 bulk metallic glass at the atomistic level. Structural analysis based on the cluster alignment method is carried out and a new Ni-centered distorted-icosahedra (DISICO) motif is excavated. We show that the short-range order and medium-range order in the glass are enhanced with lower cooling rate. Almost 50% of the clusters around the Ni atoms in the well-annealed Ni62Nb38 glass sample from our MD simulations can be classified as DISICO. It is revealed that the structural distortion with respect to the perfect icosahedra is driven by chemical ordering in the distorted region of the DISICO motif. The relationship between the structure, energy, and dynamics in this glass-forming alloy during the cooling and annealing processes is also established.},
doi = {10.1063/1.5019681},
journal = {Journal of Applied Physics},
number = 4,
volume = 123,
place = {United States},
year = {Wed Jan 31 00:00:00 EST 2018},
month = {Wed Jan 31 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on January 31, 2019
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