Showing papers by "Adrian P. Sutton published in 2011"
15 Jul 2011-Nuclear Instruments & Methods in Physics Research Section B-beam Interactions With Materials and Atoms
TL;DR: In this article, the authors discuss the limitations of the description of electronic damping as a viscous force, the validity of the two-temperature model, and how the nonadiabatic movement of electrons between bonds leads to directional stopping.
Abstract: The close spacing of electron energy levels at the Fermi surface of a metal allows for a ready exchange of energy between ionic and electronic subsystems. In molecular dynamics (MD) simulations of fast moving ions, the heat transfer to electrons is sometimes modelled as a frictional force that slows the ions. Quantum mechanical simulations lay bare these processes and reveal how best to characterise electronic friction and heating for direct incorporation into MD. In this paper, we discuss the limitations of the description of electronic damping as a viscous force, the validity of the two-temperature model, and how the non-adiabatic movement of electrons between bonds leads to directional stopping.
9 citations