The diffuse interface approach in materials science. Thermodynamic concepts and applications of phase-field models (Q4420627)

This book is devoted to an application of the diffuse interface approach to different interfacial growth phenomena, as a whole, and to a discussion of the difference between the sharp interface limit and diffuse interface limit of a phase-field model, in particular. The book is divided into eight chapters and one independent appendix. Two first introductory chapters define the aim of this book, state the sharp and diffuse interface limits, and also classical models depicting interface phenomena. Chapter 3 presents the thermodynamic background underlying the diffuse interface modeling. In the framework of equilibrium thermodynamics of multiphase systems, the macroscopic state variables and potentials are considered, and phase diagrams on their basis are calculated. In the fourth chapter, the derivation of transport equations from an underlying thermodynamic potential based on Onsager's theory is given, and this approach is extended to account for a phase-field variable. Moreover, the question of thermodynamic consistency is considered. Chapter 5 presents the method of matched asymptotic expansion required to apply the diffuse interface modeling to interfacial growth phenomena. First, the method of matched asymptotic expansion is introduced within the general mathematical framework of matching to provide background for its next applications. Then, there is a discussion of a diffuse interface model for thin film epitaxial growth, which displays how the asymptotic matching method can be employed to validate a diffuse interface model for a free boundary problem. Finally, the author discusses a generalized approach towards matching, which directly incorporates a notion of the diffuse interface. In chapter 6 the asymptotic analysis is taken up and applied to interfacial growth in the case when it is influenced not only by diffuse transport in the bulk phases, but by the hydrodynamic transport, as well. In particular, the attention is devoted to the dendritic morphology, which is known to occur for quenches, taking the system under investigation from the liquid region of the underlying phase diagram to the liquid/solid coexistence region. Chapter 7 exploits variational principles of irreversible thermodynamics to extend the above phase-field model equations to elastic effects at strained surfaces. In this case the phenomenon of epitaxial growth at strained surfaces becomes numerically tractable. At the same time, trying to extend the above sharp interface equations to elastic driving forces results in boundary conditions, which in their general formulation cannot be solved. Finally, in chapter 8 there is a summary of trends and perspectives which open up in the diffuse interface modeling. The numerical aspects of diffuse interface modeling are discussed in the appendix. First, the relationship is considered between physical variables and numerical parameters. Then, the computational effeciency of different phase-field models is compared in dependence on the choice of the underlying thermodynamic potential. Finally, the author discusses an issue how numerical techniques can be employed to speed up the diffuse interface computations. In total, this very interesting book gives a modern understanding of the problems of phase-field modeling, and may be useful for students and specialists working in this and in related scientific fields.