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Computer Simulation of Microstructural Evolution

Computer simulation and modeling is one of the most rapidly developing and exciting fields in materials science. Graduate students working in this area come from very diverse backgrounds including materials science, ceramics, metallurgy, physics, chemistry, etc. Computational models applied in materials science are generally categorized according to three different spatial length scales: atomic scale, mesoscale, and macroscale. Models in the atomic scale deal with the structures, dynamics, and physical properties of an assemblage of atoms, with the number of atoms from a few to millions. Meso-scale models are concerned with the material's internal microstructure, which is characterized by dioslocation microstructures and the shape, size, and spatial arrangement of phases, domains, and/or grains. Macro-scale models completely ignore the internal atomic- and mesoscale structures of a material and describe its behavior using constitutive relations and empirical laws based on classical continuum theories.

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