Application of the Empirical Potential Structure Refinement Technique to a Borosilicate Glass of Nuclear Interest

We present how the Empirical Potential Structure Refinement (EPSR) technique developed by A. Soper and co-workers can be applied to borosilicate glasses of nuclear interest to build realistic atomistic models. In particular, we show how the atomistic configuration for a six-oxide glass is modified by the introduction of the empirical potential during the simulation. EPSR strengths and weaknesses are then brought out by comparing simulation results with experimental data.
Source: Procedia Materials Science - Category: Materials Science Source Type: research