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Materials science has emerged as one of the central pillars of the modern physical sciences and engineering, and is now even beginning to claim a role in the biological sciences. A central tenet in the analysis of materials is the structure-property paradigm, which proposes a direct connection between the geometric structures within a material and its properties. The increasing power of high-speed computation has had a major impact on theoretical materials science and has permitted the systematic examination of this connection between structure and properties. In this graduate textbook, Rob Phillips examines the various methods that have been used in the study of crystals, defects and microstructures and that have made such computations possible. A second key theme is the presentation of recent efforts that have been developed to treat problems involving either multiple spatial or temporal scales simultaneously.

Crystals. --- Crystals --- Crystal lattices. --- Crystallography, Mathematical --- Lattice theory --- Twinning (Crystallography) --- Lattice defects --- Crystallography --- Powders --- Solids --- Defects. --- Lattices

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Crystals --- Dislocations in crystals. --- Lattice defects --- Twinning (Crystallography) --- Crystals, Dislocations in --- Dislocation theory --- Dislocations (Crystals) --- Crystallography --- Deformations (Mechanics) --- Grain boundaries --- Plasticity --- Defects.

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Alkali metal fluoride crystals --- Crystals --- 548.736 --- 548.736 Structures of elements and of inorganic compounds. Crystal lattices --- Structures of elements and of inorganic compounds. Crystal lattices --- Lattice defects --- Twinning (Crystallography) --- Defects --- Cristall chemistry --- fysicochemie --- Crystal chemistry

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Mechanical properties of solids --- Nonmetallic materials --- Point defects --- Crystals --- Matériaux non métalliques --- Cristaux --- Defects --- Défauts --- 538.91 --- -Nonmetallic materials --- -Point defects --- Defects, Point --- Dislocations in crystals --- Impurity centers --- Materials --- Crystallography --- Powders --- Solids --- Structures, including transitions --- 538.91 Structures, including transitions --- Matériaux non métalliques --- Défauts --- Lattice defects --- Twinning (Crystallography)

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The properties of materials at high temperature play a vital role in their processing and practical use. The real properties of materials at elevated temperatures are very often governed by defects in their structure. Lattice defects may consist of point defects like vacancies, interstitial atoms or substituted atoms. These classes are discussed in general and specifically for oxides, nitrides, carbides and sulfides. Defect aggregates, shear structures and adaptive structures are also described. Special attention is paid to hydrogen defects which seem to play an important role in several mater

Chimie a haute temperature --- High temperature chemistry --- Hoge temperatuur chemie --- Solides --- Solids --- Vaste lichamen --- Crystals --- -High temperature chemistry --- #KVIV:BB --- Solid state physics --- Transparent solids --- Thermochemistry --- Crystallography --- Powders --- Defects --- Kofstad, Per --- Lattice defects --- Twinning (Crystallography) --- Kofstad, Per. --- High temperature chemistry. --- Solids. --- Defects.