Isotope effects in Eley–Rideal abstraction of hydrogen from tungsten surfaces: the role of dissipation

Abstract

Molecular dynamics simulations are performed to investigate the influence of isotope substitutions on the Eley–Rideal recombination dynamics of hydrogen isotopes from the (100) and (110) surfaces of tungsten. Dissipation of electrons and phonons is taken into account by, respectively, the local density friction approximation and the general Langevin oscillator, effective models which have been intensively used in recent years. As the coupling to surface phonons and electrons might be altered by the mass combination, the main objective of the paper is to assess the role of dissipation to the surface in the course of abstraction.