Advances in Atomistic-to-Continuum Coupling Techniques

 

Atomistic-to-continuum coupling techniques such as the Quasicontinuum (QC) method, the Coupled-Atomistic/Discrete-Dislocation (CADD) model, the Bridging Domain Method (BDM), and many more bridge across length and time scales with the ultimate goal to combine atomistic-level accuracy with macroscale efficiency. This minisymposium aims to discuss the state of the art in this multidisciplinary field of research and to provide an interactive forum for the discussion of recent advances and key open challenges. This includes both the development of new techniques as well as the application of established coupling methods to explore the mechanics and physics solids. Of particular interest are contributions that push the frontiers of e.g. finite-temperature simulations, mass and heat transfer, extensions to non-crystalline materials systems and alloys, phase transitions and twinning, thermo-electro-mechanically-coupled approaches, coupling to electronic structure calculations, high-performance computational techniques, and the mathematical foundations of the QC method and other scale-bridging techniques.