3 papers
cond-mat.mtrl-sci2026
A Hybrid Quantum Mechanics Machine Learning Forcefield (QM/ML) Framework for Accurate Solute-Dislocation Interaction Simulations
Junting Zhang, Colleen Reynolds, Ryan S. Stroud +4
Solute-dislocation interactions play a central role in controlling microstructural evolution and mechanical behaviour of structural materials, yet conventional atomistic modelling…
cond-mat.mtrl-sci2026
Defects and Impurity Properties of VN precipitates in ARAFM Steels: Modelling using a Universal Machine Learning Potential and Experimental Validation
R. S. Stroud, C. Reynolds, T. Melichar +7
VN precipitates used to strengthen ARAFM steels for fusion applications dissolve under high Fe ion irradiation (100 dpa at 10^-3 dpa s^-1, 600 C). This study examined point defects…
physics.chem-ph2025
A mesoscale phase-field model of intergranular liquid lithium corrosion of ferritic/martensitic steels
A. Lhoest, S. Kovacevic, D. Nguyen-Manh +3
A phase-field model is developed to simulate intergranular corrosion of ferritic/martensitic steels exposed to liquid lithium. The chromium concentration of the material is used to…