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Title: First-principles study of order-disorder transitions in multicomponent solid-solution alloys

Abstract

In this paper, we will focus on the recent development of the order-disorder transition in metallic materials. The past decades have witnessed fast development in the first-principles methodologies and their applications to ordering transitions in multi-component alloys, particularly the high-entropy alloys. The driving force for the proceedings comes from (i) the advance of algorithms and increasingly cheaper hardware, and also (ii) the great passion to model alloys with increasing number of components.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1509547
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physics. Condensed Matter
Additional Journal Information:
Journal Volume: 31; Journal Issue: 27; Journal ID: ISSN 0953-8984
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; alloys; Monte-Carlo; ab initio; ordering transition

Citation Formats

Eisenbach, Markus, Pei, Zongrui, and Liu, Xianglin. First-principles study of order-disorder transitions in multicomponent solid-solution alloys. United States: N. p., 2019. Web. doi:10.1088/1361-648X/ab13d8.
Eisenbach, Markus, Pei, Zongrui, & Liu, Xianglin. First-principles study of order-disorder transitions in multicomponent solid-solution alloys. United States. doi:10.1088/1361-648X/ab13d8.
Eisenbach, Markus, Pei, Zongrui, and Liu, Xianglin. Thu . "First-principles study of order-disorder transitions in multicomponent solid-solution alloys". United States. doi:10.1088/1361-648X/ab13d8. https://www.osti.gov/servlets/purl/1509547.
@article{osti_1509547,
title = {First-principles study of order-disorder transitions in multicomponent solid-solution alloys},
author = {Eisenbach, Markus and Pei, Zongrui and Liu, Xianglin},
abstractNote = {In this paper, we will focus on the recent development of the order-disorder transition in metallic materials. The past decades have witnessed fast development in the first-principles methodologies and their applications to ordering transitions in multi-component alloys, particularly the high-entropy alloys. The driving force for the proceedings comes from (i) the advance of algorithms and increasingly cheaper hardware, and also (ii) the great passion to model alloys with increasing number of components.},
doi = {10.1088/1361-648X/ab13d8},
journal = {Journal of Physics. Condensed Matter},
number = 27,
volume = 31,
place = {United States},
year = {2019},
month = {4}
}

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