5 papers
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…
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…
Trajectory-Dependent Electronic Energy Losses in Ion Range Simulations
Glen P. Kiely, Bruno Semião, Evgeniia Ponomareva +3
The energy losses of energetic ions in materials depend on both nuclear and electronic interactions. In channeling geometries, the stopping effect of these interactions can be high…
Local electronic excitations by slow light ions in tungsten
Evgeniia Ponomareva, Eduardo Pitthan, Radek Holeňák +4
Accurately predicting the electronic energy deposition of ions in materials is an important challenge in both fundamental and applied research. While employing ab initio simulation…
Electronic effects in radiation-induced collision cascades in nickel
Andrea E. Sand, Glen P. Kiely, Artur Tamm +1
The accurate treatment of electronic effects in multi-million atom simulations of radiation-induced collision cascades is crucial for reliable predictions of primary radiation dama…