A multiscale modelling framework, especially for corrosion modelling, requires not only robust computational tools but also an efficient datacentric architecture for handling information exchange at different modelling scales. Different computational solvers require and produce data in different pro...

The strength of a metallic alloy is controlled by the collective contribution from different strengthening mechanisms. To develop a complete numerical framework for the flow stress in alloys, it is necessary to understand the different mechanisms isolated, as well as knowing how they interact and af...

The energy conversion efficiency of solar cells based on multicrystalline silicon is greatly deteriorated by dislocations. However, an in-depth understanding on the dislocation motion dynamics down to atomic scale is still lacking. In this paper, we propose a novel atomistic approach to simulate the...