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Title: Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys

Recent discoveries of multicomponent concentrated solid-solution alloys hold promise for enhanced properties—such as enhanced mechanical properties, radiation tolerance, high temperature strength, corrosion resistance and some novel functional properties, provide a new strategy for alloy design using extreme disorder. Yet, deep understanding of these intriguing properties is complicated by the very effects of disorder that make them interesting. All the desirable properties of these alloys ultimately originate from the disorder-induced properties of underlying electronic structure, lattice dynamics, and thermodynamics. Therefore, understanding the disorder-induced fundamental physical properties is prerequisite for the science-based design of this class of alloys for practical applications. Furthermore, we elucidate the role of extreme (maximal) substitutional disorder plays in the fundamental physics of disordered alloys and review the recently developed theoretical methodologies in modeling the basic physical properties, particularly electronic structure, magnetism, electrical transport, and lattice vibrations in multicomponent concentrated solid-solution alloys.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Journal of Materials Research
Additional Journal Information:
Journal Volume: 33; Journal Issue: 19; Journal ID: ISSN 0884-2914
Publisher:
Materials Research Society
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; alloy; electronic structure; electron transport; phonon scattering; density functional theory
OSTI Identifier:
1484134

Mu, Sai, Pei, Zongrui, Liu, Xianglin, and Stocks, George Malcolm. Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys. United States: N. p., Web. doi:10.1557/jmr.2018.300.
Mu, Sai, Pei, Zongrui, Liu, Xianglin, & Stocks, George Malcolm. Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys. United States. doi:10.1557/jmr.2018.300.
Mu, Sai, Pei, Zongrui, Liu, Xianglin, and Stocks, George Malcolm. 2018. "Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys". United States. doi:10.1557/jmr.2018.300.
@article{osti_1484134,
title = {Electronic transport and phonon properties of maximally disordered alloys: From binaries to high-entropy alloys},
author = {Mu, Sai and Pei, Zongrui and Liu, Xianglin and Stocks, George Malcolm},
abstractNote = {Recent discoveries of multicomponent concentrated solid-solution alloys hold promise for enhanced properties—such as enhanced mechanical properties, radiation tolerance, high temperature strength, corrosion resistance and some novel functional properties, provide a new strategy for alloy design using extreme disorder. Yet, deep understanding of these intriguing properties is complicated by the very effects of disorder that make them interesting. All the desirable properties of these alloys ultimately originate from the disorder-induced properties of underlying electronic structure, lattice dynamics, and thermodynamics. Therefore, understanding the disorder-induced fundamental physical properties is prerequisite for the science-based design of this class of alloys for practical applications. Furthermore, we elucidate the role of extreme (maximal) substitutional disorder plays in the fundamental physics of disordered alloys and review the recently developed theoretical methodologies in modeling the basic physical properties, particularly electronic structure, magnetism, electrical transport, and lattice vibrations in multicomponent concentrated solid-solution alloys.},
doi = {10.1557/jmr.2018.300},
journal = {Journal of Materials Research},
number = 19,
volume = 33,
place = {United States},
year = {2018},
month = {9}
}

Works referenced in this record:

Nanostructured High-Entropy Alloys with Multiple Principal Elements: Novel Alloy Design Concepts and Outcomes
journal, May 2004
  • Yeh, J.-W.; Chen, S.-K.; Lin, S.-J.
  • Advanced Engineering Materials, Vol. 6, Issue 5, p. 299-303
  • DOI: 10.1002/adem.200300567

Special quasirandom structures
journal, July 1990