Machine-learned interatomic potential for titanium carbide MXenes: application to ion irradiation simulations
Abstract
MXene sheets. The results provide guidelines for defect engineering of MXenes through ion irradiation and implantation. Additionally, the ML potential development provides a landmark recipe for enabling machine-learning-driven atomistic simulations of other MXenes.
Fields of Study & Subjects
MXene and MAX Phase Materials
Machine Learning in Materials Science
Fusion materials and technologies
Publication details
- Journal / source
- Nanoscale
- Volume
- 18
- Issue
- 36
- Pages
- 19696–19707
- Publication date
- 1 January 2026
- Language
- EN