Sputtering studies of beryllium with helium and deuterium using molecular dynamics approach

Abstract

The Be sputtering with He and D was simulated by a molecular dynamics (MD) approach with the use of newly developed He–Be and H–Be (or D–Be) interatomic potentials. The H–Be potential incorporates many-body effects through the implementation of the Tersoff potential. A modification was introduced in the Tersoff potential in order to adapt it to the sputtering simulation. Incident angle dependence of the sputtering was examined at the incident particle energy of 100 eV with respect to the crystal surface (0 0 1), (0 1 0) and (1 1 0) for the He bombardment and (0 0 1) for the D bombardment. The calculated sputtering yields and reflection coefficients are in reasonable agreement with the TRIM.SP evaluations. Surface dependence is clearly observed in the He bombardment. The MD sputtering yield and reflection coefficient become significantly reduced at grazing angles and significantly enhanced than the TRIM.SP evaluations, respectively.