Molecular dynamics simulation of low-energy hydrogen atoms bombarding tungsten (001) surface at different angles and their depth distribution

Abstract

Molecular dynamics simulations are performed to study the diffusion behavior of low-energy hydrogen atoms in bcc tungsten (001). The simulation results show that when the energy of vertically incident hydrogen atoms is in a range of 0–20.0 eV, their retention probability increases rapidly; in the whole incident energy range 0.5–50.0 eV, the reflection probability gradually drops, but still exceeds 60%. By varying the incident angle, the retention probability may increase in some energy ranges compared with those in the case of vertical incidence, but the reflection probability still dominates. In this paper, we also obtain the depth distribution of energy deposition of incident hydrogen and its isotopes. It is found that tritium deposits more energies in the surface region than hydrogen.