Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations

Journal Article
Physical Chemistry Chemical Physics, vol. 18, iss. 37, pp. 26125-26132, 2016
Authors
Konstantinos Konstantinou, Peter V. Sushko, Dorothy M. Duffy
Abstract

The chemical nature and molar composition of nuclear glass affect the local atomic structure of Mo and its solubility within the glass network.

English