2 papers
cond-mat.mtrl-sci2025
Development of a magnetic interatomic potential for cubic anti-ferromagnets: the case of NiO
Ievgeniia Korniienko, Pablo Nieves, Jakub Sebesta +2
Interatomic potentials are essential for molecular dynamics simulations of magnetic materials, yet incorporating magnetic features into potentials for complex antiferromagnets rema…
cond-mat.mtrl-sci2025
Early Stages of Self-Healing at Tungsten Grain Boundaries from Ab Initio Machine Learning Simulations
Jorge Suárez-Recio, Pablo M. Piaggi, Francisco J. DomÃnguez-Gutiérrez +2
Nanostructured tungsten has been reported as a possible alternative plasma-facing material due to its potential ability to self-heal radiation-induced defects, a property that is a…