Journal ArticleDOI
An introduction to phase-field modeling of microstructure evolution
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In this article, the authors introduce the concept of diffuse interfaces, the phase-field variables, the thermodynamic driving force for microstructure evolution and the kinetic phasefield equations are discussed.Abstract:
The phase-field method has become an important and extremely versatile technique for simulating microstructure evolution at the mesoscale. Thanks to the diffuse-interface approach, it allows us to study the evolution of arbitrary complex grain morphologies without any presumption on their shape or mutual distribution. It is also straightforward to account for different thermodynamic driving forces for microstructure evolution, such as bulk and interfacial energy, elastic energy and electric or magnetic energy, and the effect of different transport processes, such as mass diffusion, heat conduction and convection. The purpose of the paper is to give an introduction to the phase-field modeling technique. The concept of diffuse interfaces, the phase-field variables, the thermodynamic driving force for microstructure evolution and the kinetic phase-field equations are introduced. Furthermore, common techniques for parameter determination and numerical solution of the equations are discussed. To show the variety in phase-field models, different model formulations are exploited, depending on which is most common or most illustrative.read more
Citations
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References
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Journal ArticleDOI
Second-order phase field asymptotics for unequal conductivities
TL;DR: It is shown that if the phase field model is required to be gradient flow for an entropy functional, then for unequal diffusivities it is impossible to construct a phase equation with finite kinetics which converges with second-order accuracy to a Gibbs--Thomson equilibrium condition with infinitely fast kinetics, and in the second case, some error terms are pushed to higher orders and it is easy to eliminate the remaining errors with finite phase kinetics.
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Computer simulation of structural transformations during precipitation of an ordered intermetallic phase
TL;DR: In this paper, the simulation of precipitation of an ordered intermetallic phase from a disordered solid solution in a model binar two-dimensional alloy is considered, where all diffusion processes, the concentrational delamination (clustering), ordering, antiphase domain boundary movement and coarsening are described by microscopic kinetic equations.
Journal ArticleDOI
Diffusive Atomistic Dynamics of Edge Dislocations in Two Dimensions
TL;DR: The fundamental dislocation processes of glide, climb, and annihilation are studied on diffusive time scales within the framework of a continuum field theory, the phase field crystal model and the dynamics are accurately described by simple viscous motion equations for an overdamped point mass.
Journal ArticleDOI
Computer simulation of diffusion in multiphase systems
TL;DR: In this article, a general model to treat multicomponent diffusion in multiphase dispersions is presented, which is based on diffusion data and basic thermodynamic data and contains no adjustable parameters.
Journal ArticleDOI
Multiscale modeling of precipitate microstructure evolution.
TL;DR: It is demonstrated how three "state-of-the-art" techniques may be combined to build a bridge between atomistics and microstructure: first-principles calculations, a mixed-space cluster expansion approach, and the diffuse-interface phase-field model.