Related papers: Density-Functional Theory and Triply-Periodic Mini…
The density functional theory (DFT) is used in a study of point defects on both UN (001) surface and sub-surface layers. We compare results for slabs of different thicknesses (both perfect and containing nitrogen or uranium vacancies) with…
We discuss timelike and spacelike minimal surfaces in $AdS_n$ using a Pohlmeyer type reduction. The differential equations for the reduced system are derived in a parallel treatment of both type of surfaces, with emphasis on their…
We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…
Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the…
We prove that in a Riemannian manifold $M$, each function whose Hessian is proportional the metric tensor yields a weighted monotonicity theorem. Such function appears in the Euclidean space, the round sphere $S^n$ and the hyperbolic space…
We study minimal surfaces which arise in wetting and capillarity phenomena. Using conformal coordinates, we reduce the problem to a set of coupled boundary equations for the contact line of the fluid surface, and then derive simple…
It was proposed by Ryu and Takayanagi that the entanglement entropy in conformal field theory (CFT) is related through the AdS/CFT correspondence to the area of a minimal surface in the bulk. We apply this holographic geometrical method of…
Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is…
The geometry of minimal surfaces generated by charge 2 Bogomolny monopoles on 3-dimensional Euclidean space is described in terms of the moduli parameter k. We find that the distribution of Gaussian curvature on the surface reflects the…
The general solution to the nonlinear Poisson-Boltzmann equation for two parallel charged plates, either inside a symmetric elecrolyte, or inside a 2q:-q asymmetric electrolyte, is found in terms of Weierstrass elliptic functions. From this…
Electrical double layer (EDL) is formed when an electrode is in contact with an electrolyte solution, and is widely used in biophysics, electrochemistry, polymer solution and energy storage. Poisson-Boltzmann (PB) coupled equations provides…
A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishing thickness. Geometrical weight functions that are…
We study the adsorption-desorption transition of polyelectrolyte chains onto planar, cylindrical and spherical surfaces with arbitrarily high surface charge densities by massive Monte Carlo computer simulations. We examine in detail how the…
The effect of external strain on surface properties of simple metals is considered within the modified stabilized jellium model. The equations for the stabilization energy of the deformed Wigner-Seitz cells are derived as a function of the…
Based on recent progress on fermionic exchange symmetry we propose a way to develop new functionals for reduced density matrix functional theory. For some settings with an odd number of electrons, by assuming saturation of the inequalities…
The Ryu-Takayanagi conjecture connects the entanglement entropy in the boundary CFT to the area of open co-dimension two minimal surfaces in the bulk. Especially in AdS(4), the latter are two-dimensional surfaces, and, thus, solutions of a…
In this expository article we revisit the Bernstein problem for several geometric PDEs including the minimal surface, Monge-Amp\`{e}re, and special Lagrangian equations. We also discuss the minimal surface system where appropriate. The…
A self consistent field theory for compressible polymer mixtures is developed by introducing elements of classical density functional theory into the framework of the Helfand theory. It is then applied to study free surfaces of binary (A,B)…
Functionally graded porous plates have been validated as remarkable lightweight structures with excellent mechanical characteristics and numerous applications. With inspiration from the high strength-to-volume ratio of triply periodic…
We propose a detailed description of the structure of the layer formed by polyelectrolyte chains adsorbed onto an oppositely charged surface in the semi-dilute regime. We combine the mean-field Poisson-Boltzmann-Edwards theory and the…