Polarization dependence of x-ray absorption spectra in Na_xCoO_2

In order to shed light on the electronic structure of Na_xCoO_2, and motivated by recent Co L-edge X-ray absorption spectra (XAS) experiments with polarized light, we calculate the electronic spectrum of a CoO_6 cluster including all interactions between 3d orbitals. We obtain the ground state for two electronic occupations in the cluster that correspond nominally to all O in the O^{-2} oxidation state, and Co^{+3} or Co^{+4}. Then, all excited states obtained by promotion of a Co 2p electron to a 3d electron, and the corresponding matrix elements are calculated. A fit of the observed experimental spectra is good and points out a large Co-O covalency and cubic crystal field effects, that result in low spin Co 3d configurations. Our results indicate that the effective hopping between different Co atoms plays a major role in determining the symmetry of the ground state in the lattice. Remaining quantitative discrepancies with the XAS experiments are expected to come from composition effects of itineracy in the ground and excited states.Comment: 10 pages, 4 figure

Multi-particle-collision dynamics: Flow around a circular and a square cylinder

A particle-based model for mesoscopic fluid dynamics is used to simulate steady and unsteady flows around a circular and a square cylinder in a two-dimensional channel for a range of Reynolds number between 10 and 130. Numerical results for the recirculation length, the drag coefficient, and the Strouhal number are reported and compared with previous experimental measurements and computational fluid dynamics data. The good agreement demonstrates the potential of this method for the investigation of complex flows.Comment: 6 pages, separated figures in .jpg format, to be published in Europhysics Letter

Optimization of circular orifice jets mixing into a heated cross flow in a cylindrical duct

To examine the mixing characteristics of circular jets in an axisymmetric can geometry, temperature measurements were obtained downstream of a row of cold jet injected into a heated cross stream. The objective was to obtain uniform mixing within one duct radius downstream of the leading edge of the jet orifices. An area weighted standard deviation of the mixture fraction was used to help quantify the degree of mixedness at a given plane. Non-reacting experiments were conducted to determine the influence of the number of jets on the mixedness in a cylindrical configuration. Results show that the number of orifices significantly impacts the mixing characteristics of jets injected from round hole orifices in a can geometry. Optimum mixing occurs when the mean jet trajectory aligns with the radius which divides the cross sectional area of the can into two equal parts at one mixer radius downstream of the leading edge of the orifice. The optimum number of holes at momentum-flux ratios of 25 and 52 is 10 and 15 respectively

Consistent particle-based algorithm with a non-ideal equation of state

A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle collisions which depend on the local velocities and densities. Momentum and energy are exactly conserved locally. The equation of state is derived and compared to independent measurements of the pressure. Results for the kinematic shear viscosity and self-diffusion constants are presented. A caging and order/disorder transition is observed at high densities and large collision frequency.Comment: 7 pages including 4 figure

Octet-Baryon Form Factors in the Diquark Model

We present an alternative parameterization of the quark-diquark model of baryons which particularly takes care of the most recent proton electric form-factor data from the E136 experiment at SLAC. In addition to electromagnetic form factors of the nucleon, for which good agreement with data is achieved, we discuss the weak axial vector form factor of the nucleon as well as electromagnetic form factors of $\Lambda$ and $\Sigma$ hyperons. Technical advance in calculating the pertinent analytic expressions within perturbative quantum chromodynamics is gained by formulating the wave function of the quark-diquark system in a covariant way. Finally, we also comment on the influence of Sudakov corrections within the scope of the diquark model.Comment: 16 pages, WU-B 93-07, latex, uuencoded postscript files of 7 figures appended at the end of the latex fil

Hammerhead, an ultrahigh resolution ePix camera for wavelength-dispersive spectrometers

Wavelength-dispersive spectrometers (WDS) are often used in synchrotron and FEL applications where high energy resolution (in the order of eV) is important. Increasing WDS energy resolution requires increasing spatial resolution of the detectors in the dispersion direction. The common approaches with strip detectors or small pixel detectors are not ideal. We present a novel approach, with a sensor using rectangular pixels with a high aspect ratio (between strips and pixels, further called "strixels"), and strixel redistribution to match the square pixel arrays of typical ASICs while avoiding the considerable effort of redesigning ASICs. This results in a sensor area of 17.4 mm x 77 mm, with a fine pitch of 25 $\mu$m in the horizontal direction resulting in 3072 columns and 176 rows. The sensors use ePix100 readout ASICs, leveraging their low noise (43 e$^-$, or 180 eV rms). We present results obtained with a Hammerhead ePix100 camera, showing that the small pitch (25 $\mu$m) in the dispersion direction maximizes performance for both high and low photon occupancies, resulting in optimal WDS energy resolution. The low noise level at high photon occupancy allows precise photon counting, while at low occupancy, both the energy and the subpixel position can be reconstructed for every photon, allowing an ultrahigh resolution (in the order of 1 $\mu$m) in the dispersion direction and rejection of scattered beam and harmonics. Using strixel sensors with redistribution and flip-chip bonding to standard ePix readout ASICs results in ultrahigh position resolution ($\sim$1 $\mu$m) and low noise in WDS applications, leveraging the advantages of hybrid pixel detectors (high production yield, good availability, relatively inexpensive) while minimizing development complexity through sharing the ASIC, hardware, software and DAQ development with existing versions of ePix cameras.Comment: 8 pages, 6 figure

Dynamic correlations in stochastic rotation dynamics

The dynamic structure factor, vorticity and entropy density dynamic correlation functions are measured for Stochastic Rotation Dynamics (SRD), a particle based algorithm for fluctuating fluids. This allows us to obtain unbiased values for the longitudinal transport coefficients such as thermal diffusivity and bulk viscosity. The results are in good agreement with earlier numerical and theoretical results, and it is shown for the first time that the bulk viscosity is indeed zero for this algorithm. In addition, corrections to the self-diffusion coefficient and shear viscosity arising from the breakdown of the molecular chaos approximation at small mean free paths are analyzed. In addition to deriving the form of the leading correlation corrections to these transport coefficients, the probabilities that two and three particles remain collision partners for consecutive time steps are derived analytically in the limit of small mean free path. The results of this paper verify that we have an excellent understanding of the SRD algorithm at the kinetic level and that analytic expressions for the transport coefficients derived elsewhere do indeed provide a very accurate description of the SRD fluid.Comment: 33 pages including 16 figure

X-ray absorption spectroscopy on layered cobaltates Na_xCoO_2

Measurements of polarization and temperature dependent soft x-ray absorption have been performed on Na_xCoO_2 single crystals with x=0.4 and x=0.6. They show a deviation of the local trigonal symmetry of the CoO_6 octahedra, which is temperature independent in a temperature range between 25 K and 372 K. This deviation was found to be different for Co^{3+} and Co^{4+} sites. With the help of a cluster calculation we are able to interpret the Co L_{23}-edge absorption spectrum and find a doping dependent energy splitting between the t_{2g} and the e_g levels (10Dq) in Na_xCoO_2.Comment: 7 pages, 8 figure

Mesoscopic model for the fluctuating hydrodynamics of binary and ternary mixtures

A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model immiscible binary mixtures. Excluded volume interactions between the two components are modeled by stochastic multiparticle collisions which depend on the local velocities and densities. Momentum and energy are conserved locally, and entropically driven phase separation occurs for high collision rates. An explicit expression for the equation of state is derived, and the concentration dependence of the bulk free energy is shown to be the same as that of the Widom-Rowlinson model. Analytic results for the phase diagram are in excellent agreement with simulation data. Results for the line tension obtained from the analysis of the capillary wave spectrum of a droplet agree with measurements based on the Laplace's equation. The introduction of "amphiphilic" dimers makes it possible to model the phase behavior and dynamics of ternary surfactant mixtures.Comment: 7 pages including 6 figure

Determining the phonon DOS from specific heat measurements via maximum entropy methods

The maximum entropy and reverse Monte-Carlo methods are applied to the computation of the phonon density of states (DOS) from heat capacity data. The approach is introduced and the formalism is described. Simulated data is used to test the method, and its sensitivity to noise. Heat capacity measurements from diamond are used to demonstrate the use of the method with experimental data. Comparison between maximum entropy and reverse Monte-Carlo results shows the form of the entropy used here is correct, and that results are stable and reliable. Major features of the DOS are picked out, and acoustic and optical phonons can be treated with the same approach. The treatment set out in this paper provides a cost-effective and reliable method for studies of the phonon properties of materials.Comment: Reprint to improve access. 10 pages, 6 figure