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As popular approximations to sharp-interface models, the Cahn-Hilliard type phase-field models are usually used to simulate interface dynamics with volume conservation. However, the convergence rate of the volume enclosed by the interface…
We study the sharp interface limit of the fractional Allen-Cahn equation $$ \varepsilon \partial_t u^{\varepsilon} = \mathcal{I}^s_n [u^{\varepsilon}] -\frac{1}{\varepsilon ^{2s}} W'(u^\varepsilon) \quad…
Casimir friction between a polarizable particle and a semi-infinite space is a delicate physical phenomenon, as it concerns the interaction between a microscopic quantum particle and a semi-infinite reservoir. Not unexpectedly, results…
Within the finite-field Kohn-Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment ({\boldmath$\mu$}), static dipole polarizability ({\boldmath$\alpha$}) and…
We deal with a nonlocal interaction equation describing the evolution of a particle density under the effect of a general symmetric pairwise interaction potential, not necessarily in convolution form. We describe the case of a convex (or…
We consider finite volume effects on the electro-magnetic pion form factor near the chiral limit, in the so-called $\epsilon$ regime. The pseudoscalar-vector-pseudoscalar three-point function is calculated in the $\epsilon$ expansion of…
The symmetry energy coefficients in finite nuclei have been studied systematically with a covariant density functional theory (DFT) and compared with the values calculated using several available mass tables. Due to the contamination of…
We develop a method in which the electronic densities of small fragments determined by Kohn-Sham density functional theory (DFT) are embedded using stochastic DFT to form the exact density of the full system. The new method preserves the…
In a recent paper we presented a linear scaling Kohn-Sham density functional theory (DFT) code based on Daubechies wavelets, where a minimal set of localized support functions is optimized in situ and therefore adapted to the chemical…
The asymptotic behavior of an anisotropic Cahn-Hilliard functional with prescribed mass and Dirichlet boundary condition is studied when the parameter epsilon that determines the width of the transition layers tends to zero. The double-well…
We study the energetic properties of finite but internally homogeneous D-dimensional electron droplets in the strict-correlation limit. The indirect Coulomb interaction is found to increase as a function of the electron number, approaching…
Classical, interferometric, optical lithography is diffraction limited to writing features of a size lambda/2 or greater, where lambda is the optical wavelength. Using nonclassical photon number states, entangled N at a time, we show that…
We study the lowest energy configurations of an equimolar binary mixture of classical pointlike particles with charges $Q_1$ and $Q_2$, such that $q=Q_2/Q_1\in [0,1]$. The particles interact pairwisely via 3D Coulomb potential and are…
In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…
Fractional Dirac materials (FDMs) feature a fractional energy-momentum relation $E(\vec{k}) \sim |\vec{k}|^{\alpha}$, where $\alpha \; (<1)$ is a real noninteger number, in contrast to that in conventional Dirac materials with $\alpha=1$.…
In this article, we are interested in the asymptotic analysis of a finite volume scheme for one dimensional linear kinetic equations, with either Fokker-Planck or linearized BGK collision operator. Thanks to appropriate uniform estimates,…
We report a numerical study of equilibrium phase-diagrams and interfacial properties of bulk and confined colloid-polymer mixtures using grand canonical Monte Carlo simulations. Colloidal particles are treated as hard spheres, while 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)…
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…
We consider a one-dimensional version of a variational model for pattern formation in biological membranes. The driving term in the energy is a coupling between the order parameter and the local curvature of the membrane. We derive scaling…