Related papers: Convergence of Phase-Field Free Energy and Boundar…
We consider the van der Waals energy of an atom near the infinitely thin sphere with finite conductivity which model the fullerene. We put the sphere into spherical cavity inside the infinite dielectric media, then calculate the energy of…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
A phase-field model that allows for quantitative simulations of low-speed eutectic and peritectic solidification under typical experimental conditions is developed. Its cornerstone is a smooth free-energy functional, designed so that the…
We present the second of two articles on the small volume fraction limit of a nonlocal Cahn-Hilliard functional introduced to model microphase separation of diblock copolymers. After having established the results for the sharp-interface…
In simulating charged systems, it is often useful to treat some ionic components of the system at the mean-field level and solve the Poisson-Boltzmann (PB) equation to get their respective density profiles. The numerically intensive task of…
We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this potential…
A novel energy minimization formulation of electrostatics that allows computation of the electrostatic energy and forces to any desired accuracy in a system with arbitrary dielectric properties is presented. An integral equation for the…
The behavior of energy minimizers at the boundary of the domain is of great importance in the Van de Waals-Cahn-Hilliard theory for fluid-fluid phase transitions, since it describes the effect of the container walls on the configuration of…
The basic continuum model for polar fluids is deceptively simple. The free energy integral consists of four terms: The coupling of polarization to an external field, the electrostatic energy of the induced electric field interacting with…
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…
Variational models of phase transitions take into account double-well energies singularly perturbed by gradient terms, such as the Cahn-Hilliard free energy. The derivation by $\Gamma$-convergence of a sharp-interface limit for such energy…
Accurate calculations of solvation free energies remain a central challenge in molecular simulations, often requiring extensive sampling and numerous alchemical intermediates to ensure sufficient overlap between phase-space distributions of…
The diffuse interface model of Cahn-Hilliard-van der Waals is often used to study various aspects of multi-phase flows such as droplets coalescence and contact line dynamics. The original model of Cahn-Hilliard-van der Waals uses an…
In this paper a generalization of the Cahn-Hilliard theory of binary liquids is presented for multi-component incompressible liquid mixtures. First, a thermodynamically consistent convection-diffusion type dynamics is derived on the basis…
We investigate equilibrium configurations for surface energies which contain the squared $L^2$ norm of the difference of the mean curvature H and the spontaneous curvature $c_o$ coupled with the elastic energy of the boundary curve, which…
The classical phase-field modeling approaches for multiphase problems represent each phase using a regularized characteristic function, which necessarily introduces a simplex constraint for the phase-field variables. Additionally, the…
In this article we consider the numerical modeling and simulation via the phase field approach of two-phase flows of different densities and viscosities in superposed fluid and porous layers. The model consists of the…
Second-order phase field models have emerged as an attractive option for capturing the advection of interfaces in two-phase flows. Prior to these, state-of-the-art models based on the Cahn-Hilliard equation, which is a fourth-order…
Boundary dependent corrections to the spin energy eigenvalues of an electron in a weak magnetic field and confined by a harmonic trapping potential are investigated. The electromagnetic field is quantized through a normal mode expansion…
The organization of water molecules and ions between charged mineral surfaces determines the stability of colloidal suspensions and the strength of phase-separated particulate gels. In this article we assemble a density functional that…