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

Wen, Tongqi; Sun, Yang; Ye, Beilin; Tang, Ling; Yang, Zejin; Ho, Kai-Ming; Wang, Cai-Zhuang; Wang, Nan

doi:10.1063/1.5019681

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

Journal Article · Wed Jan 31 00:00:00 EST 2018 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5019681· OSTI ID:1422767

Wen, Tongqi ^[1]; Sun, Yang ^[2]; Ye, Beilin ^[3]; Tang, Ling ^[4]; Yang, Zejin ^[4]; Ho, Kai-Ming ^[5]; Wang, Cai-Zhuang ^[5]; Wang, Nan ^[6]

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)
Ames Lab. and Iowa State Univ., Ames, IA (United States)
South China Univ. of Technology (SCUT), Guangzhou (China). School of Materials Science and Engineering
Ames Lab. and Iowa State Univ., Ames, IA (United States); Zhejiang Univ., Hangzhou (China). Dept. of Applied Physics
Ames Lab. and Iowa State Univ., Ames, IA (United States); Iowa State Univ., Ames, IA (United States). Dept. of Physics
Northwestern Polytechnical Univ., Xi'an (China). MOE Key Laboratory of Materials Physics and Chemistry under Extraordinary Conditions, School of Natural and Applied Sciences

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.

View Accepted Manuscript (DOE)

Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: Materials Sciences & Engineering Division; National Energy Research Supercomputing Center (NERSC); National Natural Science Foundation of China (NSFC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-07CH11358

OSTI ID:: 1422767

Report Number(s):: IS-J 9575

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 4 Vol. 123; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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