Atomistic modelling of cohesion
Our consortium is addressing for the first time phenomena
of crack propagation and failure at interfaces between
heterogeneous glassy materials on an atomic scale. The use of our novel
quantum/classical modelling method
will allow us to investigate both stress-corrosion phenomena
involving fast diffusing impurities and catastrophic fracture
events triggered by brittle crack propagation. The emerging atomistic
mechanisms will help us to interpret the results of carefully controlled
fracture experiments and
guide the design of materials with strong cohesion properties.