Showing 1 - 1 of 1 UKAEA Paper Results
2018
UKAEA-CCFE-PR(18)37
R. Darkins D. M. Duffy P.-W. Ma S. T. Murphy
Ultrafast irradiation can drive the electrons in a material out of thermal equilibrium with the nuclei, producing hot, transient electronic states that modify the interatomic potential energy surface. We present, for the first time, a rigorous formulation of two-temperature molecular dynamics that can accommodate these electronic effects in the fo…
Preprint Published