Crystals, Defects and Microstructures
Materials science has emerged as one of the central pillars of the modern physicalsciences and engineering, and is now even beginning to claim a role in the biolog-ical sciences. A central tenet in the analysis of materials is the structure–propertyparadigm, which proposes a direct connection between the geometric structureswithin a material and its properties.The increasing power of high-speed computation has had a major impact ontheoretical materials science and has permitted the systematic examination of this connection between structure and properties. In this textbook, Rob Phillipsexamines the various methods that have been used in the study of crystals, defectsand microstructures and that have made such computations possible. The authorpresents many of the key general principles used in the modeling of materials, andpunctuates the text with real case studies drawn from recent research. A secondkey theme is the presentation of recent efforts that have been developed to treatproblems involving either multiple spatial or temporal scales simultaneously.This text is intended for graduate students and researchers in science andengineering with an interest in the theoretical constructs that have been devisedto undertake the study of materials.