Crystals, Defects and Microstructures: Modeling Across Scales

By R. Phillips. 2001

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Accelerating the discovery of materials for clean energy in the era of smart automation (2018, background): “The nucleation and growth of grain boundaries, dislocations, defects, segregations and many other features may completely redefine the properties of the material relative to the simple crystalline bulk phase 213 .”
On the effective lattice parameter of binary alloys (2003, background): “For example, there has been a computationally intensive two-scale modeling in which the severely deformed regions are described by an atomistic scale model, while outer regions are modeled by a local linear elasticity (Tadmor et al., 1996; Phillips, 2001).”