Related papers: Phase field model of interfaces in single-componen…
The Cahn--Hilliard equation is one of the most common models to describe phase separation processes of a mixture of two materials. For a better description of short-range interactions between the material and the boundary, various dynamic…
This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…
We derive the phase diagram of the one-dimensional three-state Potts model with an additional mean-field interaction in the canonical ensemble. The free energy is obtained by mapping the model onto the spin-$1$ Blume-Emery-Griffiths model…
Density functional theory has made great success in solid state physics, quantum chemistry and in computational material sciences. In this work we show that density functional theory could shed light on phase transitions and entanglement at…
We study the free energy and dynamics of a closed elastic filament (a one-dimensional curve in two dimensions) whose local internal state is specified by curvature, stretch, and a scalar density field representing, for example, the…
We study the sharp interface limit and well-posedness of a phase field model for self-climb of prismatic dislocation loops in periodic settings. The model is set up in a Cahn-Hilliard/Allen-Cahn framework featured with degenerate…
The equilibrium properties of classical self-gravitating systems in the grand canonical ensemble are studied by using the correspondence with an euclidean field theory with infrared and ultraviolet cutoffs. It is shown that the system…
We consider the problem of minimizing the Willmore energy connected surfaces with prescribed surface area which are confined to a finite container. To this end, we approximate the surface by a phase field function $u$ taking values close to…
A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. By rigorous asymptotic analysis we show that the sharp-interface limit of this model recovers the continuum model equations for the…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
We present a phase field model for vesicle growth or shrinkage induced by an osmotic pressure due to a chemical potential gradient. The model consists of an Allen-Cahn equation describing the evolution of phase field and a Cahn-Hilliard…
Exact characterization of phase transitions requires sufficient configurational sampling, necessitating efficient and accurate potential energy surfaces. Molecular force fields with computational efficiency and physical interpretability are…
The phase transition kinetics in three phase systems was investigated using the numerically efficient cell dynamics method. A phasefield model with a simple analytical free energy and single order parameter was used to study the kinetics…
Phase field crystal (PFC) models constitute a field theoretical approach to solidification, melting and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain…
We investigate the formation of polycrystalline structures in a class of particle systems. The atomistic energy is modeled as a sum of particle energies that favor atoms being locally isometric to a reference lattice. The discrete frame…
We present a model for cell growth, division and packing under soft constraints that arise from the deformability of the cells as well as of a membrane that encloses them. Our treatment falls within the framework of diffuse interface…
We minimized the interface diffuseness in the phase-field models by introducing the parabolic double-well potential and localizing the solute redistribution (or latent heat release) into a narrow region within the phase-field interface. In…
We study the origin of phase transitions in some simplified models with long range interactions. For the ring model, we show that a possible new phase transition predicted in a recent paper by Nardini and Casetti from an energy landscape…
Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…
We propose a novel phase-field model to predict elastic microphase separation in polymer gels. To this end, we extend the Cahn-Hilliard free-energy functional to incorporate an elastic strain energy and a coupling term. These contributions…