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

hal.structure.identifierDepartment of Materials Science and Engineering
dc.contributor.authorDASARI, Sriswaroop
hal.structure.identifierDepartment of Materials Science and Engineering
dc.contributor.authorSHARMA, Abhishek
hal.structure.identifierIdaho National Laboratory [INL]
dc.contributor.authorJIANG, Chao
hal.structure.identifierPhysical and Computational Sciences Directorate
hal.structure.identifierDepartment of Materials Science and Engineering
dc.contributor.authorGWALANI, Bharat
hal.structure.identifierDepartment of Materials Science and Engineering
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLIN, Wei-Chih
hal.structure.identifierHigh Entropy Materials Center
hal.structure.identifierDepartment of Materials Science and Engineering
dc.contributor.authorLO, Kai-Chi
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGORSSE, Stéphane
hal.structure.identifierDepartment of Materials Science and Engineering
hal.structure.identifierHigh Entropy Materials Center
hal.structure.identifierPhD. Program in Prospective Functional Materials Industry,
dc.contributor.authorYEH, An-Chou
hal.structure.identifierDepartment of Materials Science and Engineering
dc.contributor.authorSRINIVASAN, Srivilliputhur
hal.structure.identifierDepartment of Materials Science and Engineering
dc.contributor.authorBANERJEE, Rajarshi
dc.date.issued2023
dc.identifier.issn0027-8424
dc.description.abstractEnUnderstanding 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.
dc.language.isoen
dc.publisherNational Academy of Sciences
dc.subject.enHigh entropy alloys
dc.subject.enThermodynamics
dc.subject.enChenical ordering
dc.title.enExceptional enhancement of mechanical properties in high-entropy alloys via thermodynamically guided local chemical ordering
dc.typeArticle de revue
dc.identifier.doi10.1073/pnas.2211787120
dc.subject.halChimie/Matériaux
dc.subject.halPhysique [physics]/Mécanique [physics]/Mécanique des solides [physics.class-ph]
bordeaux.journalProceedings of the National Academy of Sciences of the United States of America
bordeaux.pagee2211787120
bordeaux.volume120
bordeaux.issue23
bordeaux.peerReviewedoui
hal.identifierhal-04142164
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-04142164v1
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