Related papers: Non-homogeneous density functions to strengthen re…
We consider a one-dimensional totally asymmetric exclusion process on a ring with extended inhomogeneities, consisting of several segments with different hopping rates. Depending upon the underlying inhomogeneity configurations and for…
Density-functional theory is used to study the electronic structure of quantum dots in a magnetic field. New series of magic numbers are found for the total angular momentum of electrons. The empirical formula for the plateau width is…
Response calculations in density functional theory aim at computing the change in ground-state density induced by an external perturbation. At finite temperature these are usually performed by computing variations of orbitals, which involve…
In this article we obtain a fundamental measure functional for the model of aligned hard hexagons in the plane. Our aim is not just to provide a functional for a new, admittedly academic, model, but to investigate the structure of…
The presence of prestrain can have a tremendous effect on the mechanical behavior of slender structures. Prestrained elastic plates show spontaneous bending in equilibrium -- a property that makes such objects relevant for the fabrication…
Density profiles are the most common measure of inhomogeneous structure in confined fluids, but their connection to transport coefficients is poorly understood. We explore via simulation how tuning particle-wall interactions to flatten or…
A full theory for hinged beams and degenerate plates with multiple intermediate piers is developed. The analysis starts with the variational setting and the study of the linear stationary problem in one dimension. Well-posedness results are…
Most density functionals have been developed by imposing the known exact constraints on the exchange-correlation energy, or by a fit to a set of properties of selected systems, or by both. However, accurate modeling of the conventional…
We propose microscopic density functional theory for inhomogeneous star polymers. Our approach is based on fundamental measure theory for hard spheres, and on Wertheim's first- and second-order perturbation theory for the interparticle…
The many-body problem can in general not be solved exactly, and one of the most prominent approximations is to build perturbation expansions. A huge variety of expansions is possible, which differ by the quantity to be expanded, the…
The aim of this paper is to examine the large-scale behavior of dynamical optimal transport on stationary random graphs embedded in $\R^n$. Our primary contribution is a stochastic homogenization result that characterizes the effective…
The nonlinear formulation developed based on von Karman's assumptions is employed to study the free vibration characteristics of functionally graded material (FGM) plates subjected to thermal environment. Temperature field is assumed to be…
We propose a practical empirical fitting function to characterize the non-Gaussian displacement distribution functions (DispD) often observed for heterogeneous diffusion problems. We first test this fitting function with the problem of a…
A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer…
Alternative approach for description of the non-equilibrium phenomena arising in solids at a severe external loading is analyzed. The approach is based on the new form of kinetic equations in terms of the internal and modified free energy.…
Recent work shows that density functional theory calculations accurately describe materials exhibiting turbostratic disorder between layers of incommensurate constituents. These calculations approximate one of the constituents as a finite…
Understanding how topological constraints affect the dynamics of polymers in solution is at the basis of any polymer theory and it is particularly needed for melts of rings. These polymers fold as crumpled and space-filling objects and,…
Motivated by the redrawing of hot glass into thin sheets, we investigate the shape and stability of a thin viscous sheet that is inhomogeneously stretched in an imposed non-uniform temperature field. We first determine the associated base…
In this paper we study quantitative stochastic homogenization of a nonlinearly elastic composite material with a laminate microstructure. We prove that for deformations close to the set of rotations the homogenized stored energy function…
We consider the unit ball $\Omega\subset \mathbb{R}^N$ ($N\ge2$) filled with two materials with different conductivities. We perform shape derivatives up to the second order to find out precise information about locally optimal…