Nonlinear screening and stopping power in two-dimensional electron gases

We have used density functional theory to study the nonlinear screening properties of a two-dimensional (2D) electron gas. In particular, we consider the screening of an external static point charge of magnitude Z as a function of the distance of the charge from the plane of the gas. The self-consistent screening potentials are then used to determine the 2D stopping power in the low velocity limit based on the momentum transfer cross-section. Calculations as a function of Z establish the limits of validity of linear and quadratic response theory calculations, and show that nonlinear screening theory already provides significant corrections in the case of protons. In contrast to the 3D situation, we find that the nonlinearly screened potential supports a bound state even in the high density limit. This behaviour is elucidated with the derivation of a high density screening theorem which proves that the screening charge can be calculated perturbatively in the high density limit for arbitrary dimensions. However, the theorem has particularly interesting implications in 2D where, contrary to expectations, we find that perturbation theory remains valid even when the perturbing potential supports bound states.Comment: 23 pages, 15 figures in RevTeX

Iterative regularization in nonparametric instrumental regression

We consider the nonparametric regression model with an additive error that is correlated with the explanatory variables. We suppose the existence of instrumental variables that are considered in this model for the identification and the estimation of the regression function. The nonparametric estimation by instrumental variables is an ill-posed linear inverse problem with an unknown but estimable operator. We provide a new estimator of the regression function using an iterative regularization method (the Landweber-Fridman method). The optimal number of iterations and the convergence of the mean square error of the resulting estimator are derived under both mild and severe degrees of ill-posedness. A Monte-Carlo exercise shows the impact of some parameters on the estimator and concludes on the reasonable finite sample performance of the new estimator.nonparametric estimation, instrumental variable, ill-posed inverse problem, iterative method, estimation by projection

Application of the density matrix renormalization group method to finite temperatures and two-dimensional systems

The density matrix renormalization group (DMRG) method and its applications to finite temperatures and two-dimensional systems are reviewed. The basic idea of the original DMRG method, which allows precise study of the ground state properties and low-energy excitations, is presented for models which include long-range interactions. The DMRG scheme is then applied to the diagonalization of the quantum transfer matrix for one-dimensional systems, and a reliable algorithm at finite temperatures is formulated. Dynamic correlation functions at finite temperatures are calculated from the eigenvectors of the quantum transfer matrix with analytical continuation to the real frequency axis. An application of the DMRG method to two-dimensional quantum systems in a magnetic field is demonstrated and reliable results for quantum Hall systems are presented.Comment: 33 pages, 18 figures; corrected Eq.(117

A Numerical Method to solve Optimal Transport Problems with Coulomb Cost

In this paper, we present a numerical method, based on iterative Bregman projections, to solve the optimal transport problem with Coulomb cost. This is related to the strong interaction limit of Density Functional Theory. The first idea is to introduce an entropic regularization of the Kantorovich formulation of the Optimal Transport problem. The regularized problem then corresponds to the projection of a vector on the intersection of the constraints with respect to the Kullback-Leibler distance. Iterative Bregman projections on each marginal constraint are explicit which enables us to approximate the optimal transport plan. We validate the numerical method against analytical test cases

Computational Modeling and Sub-Grid Scale Stabilization of Incompressibility and Convection in the Numerical Simulation of Friction Stir Welding Processes

This paper deals with the computational modeling and sub-grid scale stabilization of incompressibility and convection in the numerical simulation of the material flow around the probe tool in a friction stir welding (FSW) process. Within the paradigmatic framework of the multiscale stabilization methods, suitable pressure and convective derivative of the temperature sub-grid scale stabilized coupled thermomechanical formulations have been developed using an Eulerian description. Norton-Hoff and Sheppard-Wright thermo-rigid-viscoplastic constitutive material models have been considered. Constitutive equations for the sub-grid scale models have been proposed and an approximation of the sub-grid scale variables has been given. In particular, algebraic sub-grid scale (ASGS) and orthogonal sub-grid scale (OSGS) methods for mixed velocity, pressure and temperature P1/P1/P1 linear elements have been considered. Furthermore, it has been shown that well known classical stabilized formulations, such as the Galerkin least-squares (GLS) for incompressible (or quasi-incompressible) problems or the Streamline Upwind/Petrov-Galerkin (SUPG) method for convection dominant problems, can be recovered as particular cases of the multiscale stabilization framework considered. Using a product formula algorithm for the solution of the coupled thermomechanical problem, the resulting algebraic system of equations has been solved using a staggered procedure in which a mechanical problem, defined by the linear momentum balance equation, under quasi-static conditions, and the incompressibility equation, is solved first at constant temperature. Then a thermal problem, defined by the energy balance equation, is solved keeping constant the mechanical variables, i.e. velocity and pressure. The computational model has been implemented in an enhanced version of the finite element software COMET, developed by the authors at the International Center for Numerical Methods in Engineering (CIMNE). Two numerical examples have been considered. The first one deals with the numerical simulation of a coupled thermomechanical flow in a 2D rectangular domain. Steady-state and transient conditions have been considered. The goal of this numerical example has been the comparison between different sub-grid scale stabilization methods for the velocity and temperature equations. In particular, using a GLS stabilization method for the pressure equation, a comparison between SUPG and OSGS convective stabilization methods has been performed. Additionally, using a SUPG stabilization method for the temperature equation, a comparison between GLS and OSGS pressure stabilization methods has been done. The second example deals with the 3D numerical simulation of a representative FSW process. Numerical results obtained have been compared with experimental results available in the literature. A good agreement on the temperature distribution has been obtained and predicted peak temperatures compare well, both in value and position, with the experimental results available

Measurability of kinetic temperature from metal absorption-line spectra formed in chaotic media

We present a new method for recovering the kinetic temperature of the intervening diffuse gas to an accuracy of 10%. The method is based on the comparison of unsaturated absorption-line profiles of two species with different atomic weights. The species are assumed to have the same temperature and bulk motion within the absorbing region. The computational technique involves the Fourier transform of the absorption profiles and the consequent Entropy-Regularized chi^2-Minimization [ERM] to estimate the model parameters. The procedure is tested using synthetic spectra of CII, SiII and FeII ions. The comparison with the standard Voigt fitting analysis is performed and it is shown that the Voigt deconvolution of the complex absorption-line profiles may result in estimated temperatures which are not physical. We also successfully analyze Keck telescope spectra of CII1334 and SiII1260 lines observed at the redshift z = 3.572 toward the quasar Q1937--1009 by Tytler {\it et al.}.Comment: 25 pages, 6 Postscript figures, aaspp4.sty file, submit. Ap

Radiative transfer and type Ia supernovae spectra analysis in the context of supernovae factory.

We showed the spectrum formation in SNeIa around maximum light to be a multi-layered process involving regions from 5000 km per s to 20000 km per s, interacting not only through scattering but also through pure emission. This new understanding allowed us to introduce a new spectral indicators we called RSiSu, which can be used to measure SNeIa blue magnitudes with a precision comparable to the stretch factor. This makes it possible to independently constraint the evolutionary effect on SNeIa that are of crucial importance for high z surveys.We used the multi-purpose radiative transfer code phoenix, developed by P. Hauschildt, F. Allard and E. Baron to produce a grid of synthetic spectra sampling dates from 10 to 25 days after explosion and bolometric magnitudes from -18.0 to -19.7. We also developed an adaptive grid scheme in order to stabilize phoenix convergence.This co-supervised dissertation was conducted in collaboration between The University of Oklahoma City (USA) and University Claude Bernard of Lyon (France). It addresses the radiative transfer issue in type Ia supernovae expanding envelopes, in the context of the SupernovaFactory