Heterogeneous borosilicate-based glasses contain crystalline or amorphous precipitates forming secondary phases embedded within the glass matrix. These materials are valued for their high thermal shock resistance and excellent chemical durability, making them ideal for various applications such as cookware and laboratory equipment. In particular, within the nuclear industry, many wasteforms effectively function as glass-ceramics due to the presence of elements that form precipitates.

It is well known that secondary phases can significantly affect mechanical properties, particularly fracture toughness. However, the specific mechanisms by which they influence mechanical properties at the atomic scale remain poorly understood. In particular, whether they are crystalline or amorphous and the structure of their interface with the bulk glass are expected to play a crucial role.

The primary aim of this project is to investigate the specific mechanisms by which precipitates influence mechanical properties at the atomic scale.
Additionally, it seeks to understand how these precipitates affect crack propagation.
For this purpose, numerical modelling tools based on molecular dynamics will be employed.
This technique simulates the behaviour of individual atoms over time under different testing conditions.
Thus, it enables probing the local structure of crack tips and how they interact with precipitates at the atomic level, providing valuable insights into the mechanisms underlying crack resistance in heterogeneous glasses.