First principles-based design of lightweight high entropy alloys.

ABSTRACT: Recently, the design of lightweight high entropy alloys (HEAs) with a mass density lower than 5 g/cm³ has attracted much research interest in structural materials. We applied a first principles-based high-throughput method to design lightweight HEAs in single solid-solution phase. Three lightweight quinary HEA families were studied: AlBeMgTiLi, AlBeMgTiSi and AlBeMgTiCu. By comprehensively exploring their entire compositional spaces, we identified the most promising compositions according to the following design criteria: the highest stability, lowest mass density, largest elastic modulus and specific stiffness, along with highest Pugh's ratio. We found that HEAs with the topmost compositions exhibit a negative formation energy, a low density and high specific Young's modulus, b

SUBMITTER: Sorkin V 

PROVIDER: S-EPMC10728166 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature