A dislocation-aware active learned interatomic potential for Bi1−xSbx
• Active learning for interatomic potential of Bi 1 − x Sb x with dislocation. • Iteratively retrained the potential during relaxation based on force uncertainty. • Final potential predicts Peierls stress and dislocation generation.
Authors
- Harley T. Johnson (ORCID: https://orcid.org/0000-0001-7913-595X)
- Daniel Palmer
- Moon-ki Choi (ORCID: https://orcid.org/0000-0003-2887-5880)
Institutions
- University of Illinois Urbana-Champaign (US)
Publication Details
- Journal
- Computational Materials Science
- Published
- 2026-05-31
- DOI
- https://doi.org/10.1016/j.commatsci.2026.114796
- Primary Topic
- Topological Materials and Phenomena
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Science Foundation
- Air Force Office of Scientific Research