Predicting phase behavior in high entropy and chemically complex alloys

James R. Morris, M. C. Troparevsky, Louis J. Santodonato, E. Zarkadoula, Andreas Kulovits

Research output: Contribution to journalReview articlepeer-review

7 Scopus citations

Abstract

The interest in high entropy alloys and other metallic compounds with four or more elements at near-equiatomic ratios has drawn attention to the ability to rapidly predict phase behavior of these complex materials, particularly where existing thermodynamic data are lacking. This paper discusses aspects of this from the point of view of predicting without utilizing (or fitting) experimental data. Of particular interest are heuristic approaches that provide prediction of single-phase compositions, more rigorous approaches that tackle the thermodynamics from a more fundamental point of view, and simulation approaches that provide further insight into the behaviors. This paper covers cases of all three of these, in order to examine the strengths and weaknesses of each approach, and to indicate directions where these may be utilized and improved upon. Of particular interest is moving beyond “which composition may form a solid solution,” to recognizing the importance of underlying thermodynamic realities that affect the temperature- and composition-dependent transformations of these materials.

Original languageEnglish
Article number110719
JournalMaterials Characterization
Volume170
DOIs
StatePublished - Dec 2020

Funding

This work is primarily supported by the U.S. Department of Energy (DOE) Office of Science, Basic Energy Sciences, Materials Science and Engineering Division . Work on Al-Ti-Li compounds was supported through the DOE Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office's HPC4Mfg program. This manuscript has been authored under contract with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ).

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