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cond-mat.mtrl-sci2026
Validation of an Ab Initio-Informed Electronic Stopping Model for Large-Scale Atomistic Simulations
Glen P. Kiely, Rafael Nuñez-Palacio, Andrea E. Sand
Accurately modeling nonadiabatic electronic energy dissipation in atomistic simulations of radiation damage remains a key challenge. Existing models often rely on arbitrary thresho…
cond-mat.mtrl-sci2026
Impact of Electronic Energy Dissipation on Primary Radiation Damage Formation in Silicon
Nadezda Korepanova, Rafael Nuñez-Palacio, Andrea E. Sand
In this work, we investigate the role of ion-electron coupling in simulations of radiation damage formation in silicon using molecular dynamics simulations within a two-temperature…