Related papers: Small Volume Fraction Limit of the Diblock Copolym…
Density functionals with a range-separated treatment of the exchange energy are known to improve upon their semilocal forerunners and fixed-fraction hybrids. The conversion of a given semilocal functional into its short-range analog is not…
Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…
We consider a singularly-perturbed nonconvex energy functional which arises in the study of microstructures in shape memory alloys. The scaling law for the minimal energy predicts a transition from a parameter regime in which uniform…
The dynamics of small-scale structures in free-surface turbulence is crucial to large-scale phenomena in natural and industrial environments. Here we conduct experiments on the quasi-flat free surface of a zero-mean-flow turbulent water…
We study the atomistic-to-continuum limit of a class of energy functionals for crystalline materials via Gamma-convergence. We consider energy densities that may depend on interactions between all points of the lattice and we give…
We derive a dielectric-dependent hybrid functional which accurately describes the electronic properties of heterogeneous interfaces and surfaces, as well as those of three- and two-dimensional bulk solids. The functional, which does not…
We propose a weak solution theory for the sharp interface limit of the Cahn-Hilliard reaction model, a variational PDE for lithium-ion batteries. An essential feature of this model is the use of Butler-Volmer kinetics for lithium-ion…
Microphase separation in random multiblock copolymers is studied with mean-field theory assuming that long blocks of a copolymer are strongly segregated, whereas short blocks are able to penetrate into "alien" domains and exchange between…
We study morphologies of thin-film diblock copolymers between two flat and parallel walls. The study is restricted to the weak segregation regime below the order-disorder transition temperature. The deviation from perfect lamellar shape is…
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…
This paper deals with the Cauchy-Dirichlet problem for the fractional Cahn-Hilliard equation. The main results consist of global (in time) existence of weak solutions, characterization of parabolic smoothing effects (implying under proper…
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the…
The probability amplitude for $N$ particles in a quantum gas with negligible range of interparticle interaction potentials to come to a small region of size $r$ scales like $r^\gamma$. It is shown that $\gamma$ is quantitatively related to…
We present a computer-assisted proof of heteroclinic connections in the one-dimensional Ohta-Kawasaki model of diblock copolymers. The model is a fourth-order parabolic partial differential equation subject to homogeneous Neumann boundary…
Within the infinite series of ring (or bubble) diagram approximation for the electronic self-energy as appropriate for the long-range Coulomb interaction, we calculate the density-dependent T=0 Fermi liquid quasiparticle effective mass…
We rigorously prove the convergence of weak solutions to a model for lipid raft formation in cell membranes which was recently proposed by Garcke et al. to weak (varifold) solutions of the corresponding sharp-interface problem for a…
The density functional theory (DFT) interaction energy of a dimer is rigorously derived from the monomer densities. To this end, the supermolecular energy bifunctional is formulated in terms of mutually orthogonal sets of orbitals of the…
In this paper, the sharp interface limit for the compressible non-isentropic Navier-Stokes/Allen-Cahn system is derived by the method of matched asymptotic expansion. We show that the leading order problem satisfies the compressible…
We provide a comprehensive theoretical investigation of the Fermi liquid quasiparticle description in two-dimensional electron gas interacting via the long-range Coulomb interaction by calculating the electron self-energy within the…
We prove convergence of suitable subsequences of weak solutions of a diffuse interface model for the two-phase flow of incompressible fluids with different densities with a nonlocal Cahn-Hilliard equation to weak solutions of the…