TopicM: Modelling and Simulation
Nanoscale heterogeneities are typical of many metallic alloys and crucially important for their practical applications. At the same time, the formation mechanisms and stability of such inhomogeneous metastable states are poorly understood. Joint applications of atomistic simulation methods such as first-principles calculations, classical Molecular Dynamics, and Monte Carlo, as well as analytical models, are often employed to explain the experimentally observed phenomena.
The focus of this symposium will be to explore and discuss new developments in modelling and simulations of intrinsic/extrinsic metastable heterogeneities in bulk and low-dimensional alloy systems. Multi-scale and gap-bridging theoretical approaches that seek to bring together theoretical and experimental results are of particular importance. We invite contributions on the structure, thermodynamics and kinetics of pre-precipitation and the formation of hetero-phase state in alloys.