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Title: Atomic and electronic structure of Ni-Nb metallic glasses

Abstract

Solid state {sup 93}Nb nuclear magnetic resonance spectroscopy has been employed to investigate the atomic and electronic structures in Ni-Nb based metallic glass (MG) model system. {sup 93}Nb nuclear magnetic resonance (NMR) isotropic metallic shift of Ni{sub 60}Nb{sub 35}Sn{sub 5} has been found to be ∼100 ppm lower than that of Ni{sub 60}Nb{sub 35}Zr{sub 5} MG, which is correlated with their intrinsic fracture toughness. The evolution of {sup 93}Nb NMR isotropic metallic shifts upon alloying is clearly an electronic origin, as revealed by both local hyperfine fields analysis and first-principle computations. This preliminary result indicates that, in addition to geometrical considerations, atomic form factors should be taken into a description of atomic structures for better understanding the mechanical behaviors of MGs.

Authors:
Publication Date:
OSTI Identifier:
22258701
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 114; Journal Issue: 21; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CALCULATION METHODS; ELECTRONIC STRUCTURE; FORM FACTORS; FRACTURE PROPERTIES; MAGNESIUM SULFIDES; METALLIC GLASSES; NIOBIUM 93; NUCLEAR MAGNETIC RESONANCE; SPECTROSCOPY

Citation Formats

Yuan, C. C., Yang, Y.-F., E-mail: yifeng@iphy.ac.cn, and Xi, X. K., E-mail: xi@iphy.ac.cn. Atomic and electronic structure of Ni-Nb metallic glasses. United States: N. p., 2013. Web. doi:10.1063/1.4837999.
Yuan, C. C., Yang, Y.-F., E-mail: yifeng@iphy.ac.cn, & Xi, X. K., E-mail: xi@iphy.ac.cn. Atomic and electronic structure of Ni-Nb metallic glasses. United States. https://doi.org/10.1063/1.4837999
Yuan, C. C., Yang, Y.-F., E-mail: yifeng@iphy.ac.cn, and Xi, X. K., E-mail: xi@iphy.ac.cn. 2013. "Atomic and electronic structure of Ni-Nb metallic glasses". United States. https://doi.org/10.1063/1.4837999.
@article{osti_22258701,
title = {Atomic and electronic structure of Ni-Nb metallic glasses},
author = {Yuan, C. C. and Yang, Y.-F., E-mail: yifeng@iphy.ac.cn and Xi, X. K., E-mail: xi@iphy.ac.cn},
abstractNote = {Solid state {sup 93}Nb nuclear magnetic resonance spectroscopy has been employed to investigate the atomic and electronic structures in Ni-Nb based metallic glass (MG) model system. {sup 93}Nb nuclear magnetic resonance (NMR) isotropic metallic shift of Ni{sub 60}Nb{sub 35}Sn{sub 5} has been found to be ∼100 ppm lower than that of Ni{sub 60}Nb{sub 35}Zr{sub 5} MG, which is correlated with their intrinsic fracture toughness. The evolution of {sup 93}Nb NMR isotropic metallic shifts upon alloying is clearly an electronic origin, as revealed by both local hyperfine fields analysis and first-principle computations. This preliminary result indicates that, in addition to geometrical considerations, atomic form factors should be taken into a description of atomic structures for better understanding the mechanical behaviors of MGs.},
doi = {10.1063/1.4837999},
url = {https://www.osti.gov/biblio/22258701}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 21,
volume = 114,
place = {United States},
year = {Sat Dec 07 00:00:00 EST 2013},
month = {Sat Dec 07 00:00:00 EST 2013}
}