Maria Jose Caturla

TL;DR: In this article, a comparative molecular dynamics simulation study of collision cascades in two elemental semiconductors and five fcc metals is performed to elucidate how different material characteristics affect primary defect production during ion irradiation.

TL;DR: Three-dimensional multiscale simulations of irradiated metals are used to reveal the mechanisms underlying plastic flow localization in defect-free channels and observe dislocation pinning by irradiation-induced clusters of defects, subsequent unpinning as defects are absorbed by the dislocations, and cross-slip of the latter as the stress is increased.

TL;DR: In this article, the authors have simulated damage production and accumulation in fcc Cu and bcc Fe using 20 keV primary knock-on atoms (PKAs) at a homologous temperature of 0.25 of the melting point.

TL;DR: The stability of the damage produced by heavy ions at different temperatures and the nature of the recrystallization mechanism are studied and the results provide a clear and consistent physical picture of damage production in silicon under ion bombardment.

TL;DR: In this article, a simulation of single-crystal copper was performed using nonequilibrium molecular dynamics with a realistic embedded atom potential, and the simulation results were in good agreement with new experimental data presented here.