Search results for "65Z05"
showing 7 items of 7 documents
A generalized Newton iteration for computing the solution of the inverse Henderson problem
2020
We develop a generalized Newton scheme IHNC for the construction of effective pair potentials for systems of interacting point-like particles.The construction is made in such a way that the distribution of the particles matches a given radial distribution function. The IHNC iteration uses the hypernetted-chain integral equation for an approximate evaluation of the inverse of the Jacobian of the forward operator. In contrast to the full Newton method realized in the Inverse Monte Carlo (IMC) scheme, the IHNC algorithm requires only a single molecular dynamics computation of the radial distribution function per iteration step, and no further expensive cross-correlations. Numerical experiments…
A 1D coupled Schrödinger drift-diffusion model including collisions
2005
We consider a one-dimensional coupled stationary Schroedinger drift-diffusion model for quantum semiconductor device simulations. The device domain is decomposed into a part with large quantum effects (quantum zone) and a part where quantum effects are negligible (classical zone). We give boundary conditions at the classic-quantum interface which are current preserving. Collisions within the quantum zone are introduced via a Pauli master equation. To illustrate the validity we apply the model to three resonant tunneling diodes.
Optimal recovery of a radiating source with multiple frequencies along one line
2020
We study an inverse problem where an unknown radiating source is observed with collimated detectors along a single line and the medium has a known attenuation. The research is motivated by applications in SPECT and beam hardening. If measurements are carried out with frequencies ranging in an open set, we show that the source density is uniquely determined by these measurements up to averaging over levelsets of the integrated attenuation. This leads to a generalized Laplace transform. We also discuss some numerical approaches and demonstrate the results with several examples.
An algorithm for computing geometric relative velocities through Fermi and observational coordinates
2013
We present a numerical method for computing the \textit{Fermi} and \textit{observational coordinates} of a distant test particle with respect to an observer. We apply this method for computing some previously introduced concepts of relative velocity: \textit{kinematic}, \textit{Fermi}, \textit{spectroscopic} and \textit{astrometric} relative velocities. We also extend these concepts to non-convex normal neighborhoods and we make some convergence tests, studying some fundamental examples in Schwarzschild and Kerr spacetimes. Finally, we show an alternative method for computing the Fermi and astrometric relative velocities.
Inexpensive discrete atomistic model technique for studying excitations on infinite disordered media: the case of orientational glass ArN$_2$
2014
Excitations of disordered systems such as glasses are of fundamental and practical interest but computationally very expensive to solve. Here we introduce a technique for modeling these excitations in an infinite disordered medium with a reasonable computational cost. The technique relies on a discrete atomic model to simulate the low-energy behavior of an atomic lattice with molecular impurities. The interaction between different atoms is approximated using a spring like interaction based on the Lennard Jones potential but can be easily adapted to other potentials. The technique allows to solve a statistically representative number of samples with a minimum of computational expense, and us…
On time-harmonic Maxwell equations with nonhomogeneous conductivities : Solvability and FE-approximation
1989
The solvability of time-harmonic Maxwell equations in the 3D-case with nonhomogeneous conductivities is considered by adapting Sobolev space technique and variational formulation of the probJem in question. Moreover, a finite element approximation is presented in the 3D·case together with an error estimate in the energy norm. Some remarks are given to the 2D-problem arising from geophysics. peerReviewed
Finite element approximation for a div-rot system with mixed boundary conditions in non-smooth plane domains
1984
The authors examine a finite element method for the numerical approximation of the solution to a div-rot system with mixed boundary conditions in bounded plane domains with piecewise smooth boundary. The solvability of the system both in an infinite and finite dimensional formulation is proved. Piecewise linear element fields with pointwise boundary conditions are used and their approximation properties are studied. Numerical examples indicating the accuracy of the method are given. peerReviewed