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Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering

Understanding the local chemical ordering propensity in random solid solutions, and tailoring its strength, can guide the design and discovery of complex, paradigm-shifting multicomponent alloys. First, we present a simple thermodynamic framework, based solely on binary enthalpies of mixing, to sele...

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Autores principales: Dasari, Sriswaroop, Sharma, Abhishek, Jiang, Chao, Gwalani, Bharat, Lin, Wei-Chih, Lo, Kai-Chi, Gorsse, Stéphane, Yeh, An-Chou, Srinivasan, Srivilliputhur G., Banerjee, Rajarshi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10265979/
https://www.ncbi.nlm.nih.gov/pubmed/37252982
http://dx.doi.org/10.1073/pnas.2211787120
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author Dasari, Sriswaroop
Sharma, Abhishek
Jiang, Chao
Gwalani, Bharat
Lin, Wei-Chih
Lo, Kai-Chi
Gorsse, Stéphane
Yeh, An-Chou
Srinivasan, Srivilliputhur G.
Banerjee, Rajarshi
author_facet Dasari, Sriswaroop
Sharma, Abhishek
Jiang, Chao
Gwalani, Bharat
Lin, Wei-Chih
Lo, Kai-Chi
Gorsse, Stéphane
Yeh, An-Chou
Srinivasan, Srivilliputhur G.
Banerjee, Rajarshi
author_sort Dasari, Sriswaroop
collection PubMed
description Understanding the local chemical ordering propensity in random solid solutions, and tailoring its strength, can guide the design and discovery of complex, paradigm-shifting multicomponent alloys. First, we present a simple thermodynamic framework, based solely on binary enthalpies of mixing, to select optimal alloying elements to control the nature and extent of chemical ordering in high-entropy alloys (HEAs). Next, we couple high-resolution electron microscopy, atom probe tomography, hybrid Monte-Carlo, special quasirandom structures, and density functional theory calculations to demonstrate how controlled additions of Al and Ti and subsequent annealing drive chemical ordering in nearly random equiatomic face-centered cubic CoFeNi solid solution. We establish that short-range ordered domains, the precursors of long-range ordered precipitates, inform mechanical properties. Specifically, a progressively increasing local order boosts the tensile yield strengths of the parent CoFeNi alloy by a factor of four while also substantially improving ductility, which breaks the so-called strength–ductility paradox. Finally, we validate the generality of our approach by predicting and demonstrating that controlled additions of Al, which has large negative enthalpies of mixing with the constituent elements of another nearly random body-centered cubic refractory NbTaTi HEA, also introduces chemical ordering and enhances mechanical properties.
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spelling pubmed-102659792023-11-30 Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering Dasari, Sriswaroop Sharma, Abhishek Jiang, Chao Gwalani, Bharat Lin, Wei-Chih Lo, Kai-Chi Gorsse, Stéphane Yeh, An-Chou Srinivasan, Srivilliputhur G. Banerjee, Rajarshi Proc Natl Acad Sci U S A Physical Sciences Understanding the local chemical ordering propensity in random solid solutions, and tailoring its strength, can guide the design and discovery of complex, paradigm-shifting multicomponent alloys. First, we present a simple thermodynamic framework, based solely on binary enthalpies of mixing, to select optimal alloying elements to control the nature and extent of chemical ordering in high-entropy alloys (HEAs). Next, we couple high-resolution electron microscopy, atom probe tomography, hybrid Monte-Carlo, special quasirandom structures, and density functional theory calculations to demonstrate how controlled additions of Al and Ti and subsequent annealing drive chemical ordering in nearly random equiatomic face-centered cubic CoFeNi solid solution. We establish that short-range ordered domains, the precursors of long-range ordered precipitates, inform mechanical properties. Specifically, a progressively increasing local order boosts the tensile yield strengths of the parent CoFeNi alloy by a factor of four while also substantially improving ductility, which breaks the so-called strength–ductility paradox. Finally, we validate the generality of our approach by predicting and demonstrating that controlled additions of Al, which has large negative enthalpies of mixing with the constituent elements of another nearly random body-centered cubic refractory NbTaTi HEA, also introduces chemical ordering and enhances mechanical properties. National Academy of Sciences 2023-05-30 2023-06-06 /pmc/articles/PMC10265979/ /pubmed/37252982 http://dx.doi.org/10.1073/pnas.2211787120 Text en Copyright © 2023 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/This article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND) (https://creativecommons.org/licenses/by-nc-nd/4.0/) .
spellingShingle Physical Sciences
Dasari, Sriswaroop
Sharma, Abhishek
Jiang, Chao
Gwalani, Bharat
Lin, Wei-Chih
Lo, Kai-Chi
Gorsse, Stéphane
Yeh, An-Chou
Srinivasan, Srivilliputhur G.
Banerjee, Rajarshi
Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
title Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
title_full Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
title_fullStr Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
title_full_unstemmed Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
title_short Exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
title_sort exceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
topic Physical Sciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10265979/
https://www.ncbi.nlm.nih.gov/pubmed/37252982
http://dx.doi.org/10.1073/pnas.2211787120
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