About Modelling and Simulation in Materials Science and Engineering
Subject coverage. Electronic structure/properties of materials determined by ab initio and/or semi-empirical methods, e.g., quantum chemistry, density functional, tight binding. Atomic-level properties of materials, including structural, mechanical, thermodynamic and kinetic properties. Microstructural-level phenomena, including grain growth, sintering, dislocation networks, coarsening, texture. Continuum-level modelling of material behaviour or processing that contains significant new and important materials science issues. Macroscopic process models addressing how material behaviour affects or is affected by, e.g. welding, forming, casting, CVD. Modelling behaviour in service, e.g. lifetime predictions, environmental persistence, degradation.