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.