Modelling and Simulation in Materials Science and Engineering
Model Simulat Mater Sci Eng
ISSN (printed): 0965-0393. ISSN (electronic): 1361-651X.
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 etc. Continuum-level modelling pertaining to materials, including continuum elasticity/plasticity, fracture mechanics, fluid flow, diffusion, heat transfer, phase transitions etc. Macroscopic process models, e.g. welding, forming, casting, CVD. Modelling behaviour in service, e.g. lifetime predictions, environmental persistence, degradation. The journal particularly welcomes papers treating simulation related to the interpretation of experimental observations and linking synergistically theory and experiment. Data representation, data manipulation, data exchange formats and other aspects of computerization of the structure, properties and processing of materials.
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