Molecular dynamics study of the influence of a surface on a simplified nuclear glass structure and on displacement cascades

摘要

Irradiation effects which occur in nuclear waste glasses are often reproduced by external irradiations. Interesting questions arise about the appliction of observed phenomena of real waste glasses. For a better understanding of the role of the surface, we have simulated a surface on a 7 oxides glass using Molecular Dynamics. Modifications of the glassy structure, limited to the first 4 A, have been observed. We also report in this paper on the influence of surface on the behaviour of displacement cascades, characterised by an increased number of displaced atoms,a nd also by a larger displacements of sodium atoms in the surface region.