Computational Materials Science: An Introduction to Computational Microstructure Evolution of Polycrystalline Materials, Hrsg. K. G. F. Janssens, D. Raabe, E. Kozeschnik, M. A. Miodownik, B. Nestler, Elsevier Academic Press, ISBN: 978-0-12-369468-3, Seiten 1-48 (2007)
The following sections are devoted to introducing the phase-field modeling technique, numerical methods, and simulation applications to microstructure evolution and pattern formation in materialsscience.Modelformulationsandcomputationsofpuresubstancesandofmulticomponent alloys are discussed. A thermodynamically consistent class of nonisothermal phase-field models for crystal growth and solidification in complex alloy systems is presented. Expressions for the different energy density contributions are proposed and explicit examples are given. Multicomponent diffusion in the bulk phases including interdiffusion coefficients as well as diffusion in the interfacial regions are formulated. Anisotropy of both, the surface energies and the kinetic coefficients, is incorporated in the model formulation. The relation of the diffuse interface models to classical sharp interface models by formally matched asymptotic expansions is summerized.