Abstract:In this chapter, applications of atomistic simulation in ceramics and metals are discussed, respectively, in Part 3.1 and Part 3.2. Several models including Born and Shell model, Buckingham and Tersoff potentials of ionic and covalent bonding materials, as well as potential parameter determination of oxides are discussed in Part 3.1, followed by the introduction of Embedded Atom Method (EAM), MEAM and binary potentials of unlike atoms for metals in Part 3.2. Application examples include hydrogen embrittlement … Show more
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