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Exploration of the High Entropy Alloy Space as a Constraint Satisfaction Problem
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.Comment: 14 pages, 13 figure
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