Molecular dynamics evaluation of self-sputtering of beryllium

The self-sputtering of Be was simulated by a molecular dynamics (MD) approach with the use of a newly developed 2-body Be potential. Incident angle dependence of the sputtering yield was evaluated for the incident particle energies of 50, 100, and 300 eV with respect to the (001) and (010) surfaces of the hcp crystal. The calculated sputtering yields are in good agreement with both experimental estimates and the TRIM.SP evaluations. Small but distinct dependence on the surface type is observed. The calculated reflection coefficient become at grazing angles significantly larger than the TRIM.SP evaluation. (orig.)