Related papers: Small Volume Fraction Limit of the Diblock Copolym…
We numerically investigate local defectiveness control of self-assembled diblock copolymer patterns through appropriate substrate design. We use a nonlocal Cahn-Hilliard (CH) equation for the phase separation dynamics of diblock copolymers.…
We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…
Finite volume methods for problems involving second order operators with full diffusion matrix can be used thanks to the definition of a discrete gradient for piecewise constant functions on unstructured meshes satisfying an orthogonality…
The continuum description of active particle systems is an efficient instrument to analyze a finite size particle dynamics in the limit of a large number of particles. However, it is often the case that such equations appear as nonlinear…
Constrained diffusions in convex polyhedral domains with a general oblique reflection field, and with a diffusion coefficient scaled by a small parameter, are considered. Using an interior Dirichlet heat kernel lower bound estimate for…
The Ohta-Kawasaki model for diblock-copolymers is well known to the scientific community of diffuse-interface methods. To accurately capture the long-time evolution of the moving interfaces, we present a derivation of the corresponding…
We consider a non local isoperimetric problem arising as the sharp interface limit of the Ohta-Kawasaki free energy introduced to model microphase separation of diblock copolymers. We perform a second order variational analysis that allows…
Using a simplified one-dimensional model of a diatomic molecule, the associated interacting density and corresponding Kohn-Sham potential have been obtained analytically for all fractional molecule occupancies $N$ between 0 and 2. For the…
A recently proposed "DFT+dispersion" treatment (Rajchel et al., Phys. Rev. Lett., 2010, 104, 163001) is described in detail and illustrated by more examples. The formalism derives the dispersion-free density functional theory (DFT)…
We give a detailed description of the geometry of single droplet patterns in a nonlocal isoperimetric problem. In particular we focus on the sharp interface limit of the Ohta-Kawasaki free energy for diblock copolymers, regarded as a…
A nonlocal Cahn-Hilliard model with a nonsmooth potential of double-well obstacle type that promotes sharp interfaces in the solution is presented. To capture long-range interactions between particles, a nonlocal Ginzburg-Landau energy…
The interaction energy of the two-dimensional electron system in the region of fractional quantum Hall effect is considered within the Chern-Simons composite fermion approach. In the limit when Coulomb interaction is very small comparing to…
Using $\Gamma$-convergence, we study the Cahn-Hilliard problem with interface width parameter $\varepsilon > 0$ for phase transitions on manifolds with conical singularities. We prove that minimizers of the corresponding energy functional…
We prove the convergence of phase-field approximations of the Gibbs-Thomson law. This establishes a relation between the first variation of the Van-der-Waals-Cahn-Hilliard energy and the first variation of the area functional. We allow for…
We propose and analyze a combined finite volume--nonconforming finite element scheme on general meshes to simulate the two compressible phase flow in porous media. The diffusion term, which can be anisotropic and heterogeneous, is…
We propose a nonlinear Discrete Duality Finite Volume scheme to approximate the solutions of drift diffusion equations. The scheme is built to preserve at the discrete level even on severely distorted meshes the energy / energy dissipation…
We study a double Cahn-Hilliard type functional related to the Gross-Pitaevskii energy of two-components Bose-Einstein condensates. In the case of large but same order intercomponent and intracomponent coupling strengths, we prove…
Excluded-volume effects can play an important role in determining transport properties in diffusion of particles. Here, the diffusion of finite-sized hard-core interacting particles in two or three dimensions is considered systematically…
We study the equilibrium statistical mechanics of classical two-dimensional Coulomb systems living on a pseudosphere (an infinite surface of constant negative curvature). The Coulomb potential created by one point charge exists and goes to…
We analyze a reaction coefficient identification problem for the spectral fractional powers of a symmetric, coercive, linear, elliptic, second-order operator in a bounded domain $\Omega$. We realize fractional diffusion as the…