Electronic descriptors for dislocation deformation behavior and intrinsic ductility in bcc high-entropy alloys.

ABSTRACT: Controlling the balance between strength and damage tolerance in high-entropy alloys (HEAs) is central to their application as structural materials. Materials discovery efforts for HEAs are therefore impeded by an incomplete understanding of the chemical factors governing this balance. Through first-principles calculations, this study explores factors governing intrinsic ductility of a crucial subset of HEAs-those with a body-centered cubic (bcc) crystal structure. Analyses of three sets of bcc HEAs comprising nine different compositions reveal that alloy chemistry profoundly influences screw dislocation core structure, dislocation vibrational properties, and intrinsic ductility parameters derived from unstable stacking fault and surface energies. Key features in the electronic structure a

SUBMITTER: Borges PPPO 

PROVIDER: S-EPMC11778022 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature