High-level radioactive waste is accumulating at temporary storage locations around the
world and will eventually be placed in deep geological repositories. The waste forms and …

The continuous development and improvement of interatomic potential models for oxide
glasses have made classical molecular dynamics a powerful computational technique …

Molecular dynamics and related atomistic computer simulations are effective ways in
studying the structures and structure–property relations of glass materials. However …

Borosilicate glasses display a rich complexity of chemical behavior depending on the details
of their composition and thermal history. Noted for their high chemical durability and thermal …

Borosilicate glasses are traditionally challenging to model using atomic scale simulations
due to the composition and thermal history dependence of the coordination state of B atoms …

Knowing the structure of a material is necessary to understand its evolution under various
influences; here, the alteration by water of a reference glass of nuclear interest, called …

We examine the borate group intermixing in a series of 25 borosilicate (BS) glasses from the
[0.5 M (2) O–0.5 Na2O]–B2O3–SiO2 systems with M={Li, K, Rb, Mg, Ca} along with ternary …

Reactive potentials, like ReaxFF, are becoming increasingly popular and are expected to
bridge the gap between ab initio and classical molecular dynamics simulations. Yet, their …

We provide a comprehensive description of the defect tolerance of sodium-borosilicate
glasses upon sharp contact loading. This is motivated by the key role which is taken by this …

Borosilicate glasses form an important glass forming system in both glass science and
technologies. The structure and property changes of borosilicate glasses as a function of …