MUSYX · Multiscale Simulation of Crystal Defects

The MUSYX project will develop a rigorous numerical analysis framework for assessing the accuracy of multiscale methods for simulating the dynamics of crystalline defects. The core focus of the research will be the analysis of approximation errors of atomistic-to-continuum (a/c) coupling methods and related multiscale schemes. The rigorous mathematical foundations, which will be the outcome of this work, will also lead to the construction of more robust and more efficient numerical algorithms.The research will be undertaken within four distinct but closely related themes: Theme A: quasistatic evolutions up to and including bifurcation points (defect nucleation and evolution)