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Efficient exploration of the High Entropy Alloy composition-phase space
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-8493-9802
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2018 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 152, p. 41-57Article in journal (Refereed) Published
Abstract [en]

High Entropy Alloys (HEAs), Multi-principal Component Alloys (MCA), or Compositionally Complex Alloys (CCAs) are alloys that contain multiple principal alloying elements. While many HEAs have been shown to have unique properties, their discovery has been largely done through costly and time-consuming trial-and-error approaches, with only an infinitesimally small fraction of the entire possible composition space having been explored. In this work, the exploration of the HEA composition space is framed as a Continuous Constraint Satisfaction Problem (CCSP) and solved using a novel Constraint Satisfaction Algorithm (CSA) for the rapid and robust exploration of alloy thermodynamic spaces. The algorithm is used to discover regions in the HEA Composition-Temperature space that satisfy desired phase constitution requirements. The algorithm is demonstrated against a new (TCHEA1) CALPHAD HEA thermodynamic database. The database is first validated by comparing phase stability predictions against experiments and then the CSA is deployed and tested against design tasks consisting of identifying not only single phase solid solution regions in ternary, quaternary and quinary composition spaces but also the identification of regions that are likely to yield precipitation-strengthened HEAs.

Place, publisher, year, edition, pages
Acta Materialia Inc , 2018. Vol. 152, p. 41-57
Keywords [en]
Alloy design, CALPHAD, Constraint satisfaction problem, High-Entropy Alloys
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-227544DOI: 10.1016/j.actamat.2018.04.012ISI: 000436650600005Scopus ID: 2-s2.0-85045696607OAI: oai:DiVA.org:kth-227544DiVA, id: diva2:1204967
Note

QC 20180509

Available from: 2018-05-09 Created: 2018-05-09 Last updated: 2018-07-17Bibliographically approved

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Mao, Huahai

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  • apa
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