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A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
Analytical models have been developed for fracture propagation over the last several decades and are now considered with renewed interest; the range of their applicability varies for different materials and different loading conditions.…
The capability to incorporate moving geometric features within models for complex simulations is a common requirement in many fields. Fluid mechanics within aeronautical applications, for example, routinely feature rotating (e.g. turbines,…
Fluctuations associated with relaxations in far-from-equilibrium regime is of fundamental interest for a large variety of systems within broad scales. Recent advances in techniques such as spectroscopy have generated the possibility for…
An FFT-based algorithm is developed to simulate the propagation of elastic waves in heterogeneous $d$-dimensional rectangular shape domains. The method allows one to prescribe the displacement as a function of time in a subregion of the…
The bulk macroscopic response of a system of particles or inclusions with field-induced forces is studied. The susceptibilities and transport coefficients in such a system are expressed as averages of a multiple scattering expansion. A…
Modern problems in magnetization dynamics require more and more the numerical determination of the spin-wave spectra and -dispersion in magnetic systems where analytic theories are not yet available. Micromagnetic simulations can be used to…
We generalize the compact group approach to conducting systems to give a self-consistent analytical solution to the problem of the effective quasistatic electrical conductivity of macroscopically homogeneous and isotropic dispersions of…
Accretion occurs across a large range of scales and physical regimes. Despite this diversity in the physics, the observed properties show remarkably similarity. The theory of propagating fluctuations, in which broad-band variability within…
The analysis of wave propagation problems in linear damped media must take into account both propagation features and attenuation process. To perform accurate numerical investigations by the finite differences or finite element method, one…
To determine the electron heat flux density on macroscopic scales, the most widely used approach is to solve a diffusion equation through a multi-group technique. This method is however restricted to transport induced by temperature…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
Progress in the research area of colloidal dispersions in external fields within the last years is reviewed. Colloidal dispersions play a pivotal role as model systems for phase transitions in classical statistical mechanics. In recent…
Nonlinear optical responses are becoming increasingly relevant for characterizing the symmetries and quantum geometry of electronic phases in materials. Here, we develop an expanded diagrammatic scheme for calculating spatially dispersive…
The aim of this review is to provide a concise overview of some of the generic approaches that have been developed to deal with the statistical description of large systems of interacting dissipative 'units'. The latter notion includes,…
In this paper, electrothermal field phenomena in electronic components are considered. This coupling is tackled by multiphysical field simulations using the Finite Integration Technique (FIT). In particular, the design of bonding wires with…
A progress report on two recent theoretical approaches proposed to understand the physics of irreversible fractal aggregates showing up a structural transition from a rather dense to a more multibranched growth is presented. In the first…
This paper presents an improved version of the previously proposed self-consistent drift-diffusion-reaction model correcting for non-physical behavior at longer time scales. To this end a novel boundary condition is employed that takes into…
In purely normal elastic rough surface contact problems, Persson's theory of contact shows that the evolution of the probability density function (PDF) of contact pressure with the magnification is governed by a diffusion equation. However,…
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their…