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Atomic and electronic basis for the serrations of refractory high-entropy alloys

Authors :
William Yi Wang
Shun Li Shang
Yi Wang
Fengbo Han
Kristopher A. Darling
Yidong Wu
Xie Xie
Oleg N. Senkov
Jinshan Li
Xi Dong Hui
Karin A. Dahmen
Peter K. Liaw
Laszlo J. Kecskes
Zi-Kui Liu
Source :
npj Computational Materials, Vol 3, Iss 1, Pp 1-10 (2017)
Publication Year :
2017
Publisher :
Nature Portfolio, 2017.

Abstract

High-entropy alloys: cluster-and-glue atoms behind exceptional properties A cluster-and-glue model of atomic arrangements explains the yield strength and mechanical response of high entropy alloys. Inspired by metallic glass, a team led by William Yi Wang at China’s Northwestern Polytechnical University and collaborators in the United States of America used molecular dynamics to build different atomic arrangements of refractory high entropy alloys consisting of four or more elements. Depending on atomic size and the periodic table group of each atom, some atoms organized into clusters while others glued the clusters together. Chemical bonds broke and formed with plastic deformation as the alloys went from one atomic arrangement to another via the glue atoms, causing defect avalanches explaining the serrated mechanical response of high entropy alloys. Taking into account atomic arrangement may thus help us predict the properties of high entropy alloys.

Details

Language :
English
ISSN :
20573960
Volume :
3
Issue :
1
Database :
Directory of Open Access Journals
Journal :
npj Computational Materials
Publication Type :
Academic Journal
Accession number :
edsdoj.05036d4cf9084c9cb59f6474dcb5d759
Document Type :
article
Full Text :
https://doi.org/10.1038/s41524-017-0024-0