Computational Aspects of Asynchronous CA

This work studies some aspects of the computational power of fully asynchronous cellular automata (ACA). We deal with some notions of simulation between ACA and Turing Machines. In particular, we characterize the updating sequences specifying which are "universal", i.e., allowing a (specific family of) ACA to simulate any TM on any input. We also consider the computational cost of such simulations

K-edge X-ray absorption spectra in transition metal oxides beyond the single particle approximation: shake-up many body effects

The near edge structure (XANES) in K-edge X-ray absorption spectroscopy (XAS) is a widely used tool for studying electronic and local structure in materials. The precise interpretation of these spectra with the help of calculations is hence of prime importance, especially for the study of correlated materials which have a complicated electronic structure per se. The single particle approach, for example, has generally limited itself to the dominant dipolar cross-section. It has long been known however that effects beyond this approach should be taken into account, both due to the inadequacy of such calculations when compared to experiment and the presence of shake-up many-body satellites in core-level photoemission spectra of correlated materials. This effect should manifest itself in XANES spectra and the question is firstly how to account for it theoretically and secondly how to verify it experimentally. By using state-of-the-art first principles electronic structure calculations and 1s photoemission measurements we demonstrate that shake-up many-body effects are present in K-edge XAS dipolar spectra of NiO, CoO and CuO at all energy scales. We show that shake-up effects can be included in K-edge XAS spectra in a simple way by convoluting the single-particle first-principles calculations including core-hole effects with the 1s photoemission spectra. We thus describe all features appearing in the XAS dipolar cross-section of NiO and CoO and obtain a dramatic improvement with respect to the single-particle calculation in CuO. These materials being prototype correlated magnetic oxides, our work points to the presence of shake-up effects in K-edge XANES of most correlated transition metal compounds and shows how to account for them, paving the way to a precise understanding of their electronic structure.Comment: 6 pages, 4 picture

Depletion of density of states near Fermi energy induced by disorder and electron correlation in alloys

We have performed high resolution photoemission study of substitutionally disordered alloys Cu-Pt, Cu-Pd, Cu-Ni, and Pd-Pt. The ratios between alloy spectra and pure metal spectra are found to have dips at the Fermi level when the residual resistivity is high and when rather strong repulsive electron-electron interaction is expected. This is in accordance with Altshuler and Aronov's model which predicts depletion of density of states at the Fermi level when both disorder and electron correlation are present.Comment: 1 tex file and 4 ps file

A consistent methodology for the derivation and calibration of a macroscopic turbulence model for flows in porous media

This work aims to model turbulent flows in media laden with solid structures according to porous media approach. A complete set of macroscopic transport equations is derived by spatially averaging the Reynolds averaged governing equations. A two-scale analysis highlights energy transfers between macroscopic and sub-filter kinetic energies (dispersive and turbulent kinetic energies). Additional terms coming from the averaging procedure and representing solids/fluid interactions and turbulent contributions are modeled. Connections between turbulence modeling and dispersion modeling are presented. Other closure expressions are determined using physical considerations and spatial averaging of microscopic computations. A special care is given to the calibration methodology for the phenomenological coefficients. Results of the present model are successfully compared to volume-averaged reference results coming from fine scale computations and show significant improvements with respect to previous macroscopic models

On the well-posed coupling between free fluid and porous viscous flows

International audienceWe present a well-posed model for the Stokes/Brinkman problem with {\em jump embedded boundary conditions (J.E.B.C.)} on an immersed interface. It is issued from a general framework recently proposed for fictitious domain problems. Our model is based on algebraic transmission conditions combining the stress and velocity jumps on the interface $\S$ separating the fluid and porous domains. These conditions are well chosen to get the coercivity of the operator. Then, the general framework allows to prove the global solvability of some models with physically relevant stress or velocity jump boundary conditions for the momentum transport at a fluid-porous interface. The Stokes/Brinkman problem with {\em Ochoa-Tapia \& Whitaker (1995)} interface conditions and the Stokes/Darcy problem with {\em Beavers \& Joseph (1967)} conditions are both proved to be well-posed by an asymptotic analysis. Up to now, only the Stokes/Darcy problem with {\em Saffman (1971)} approximate interface conditions was known to be well-posed