Joint Density-Functional Theory of the Electrode-Electrolyte Interface: Application to Fixed Electrode Potentials, Interfacial Capacitances, and Potentials of Zero Charge

This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical systems. After reviewing the physics of the underlying fundamental electrochemical concepts, we identify the mapping between commonly measured electrochemical observables and microscopically computable quantities within an, in principle, exact theoretical framework. We then introduce a simple, computationally efficient approximate functional which we find to be quite successful in capturing a priori basic electrochemical phenomena, including the capacitive Stern and diffusive Gouy-Chapman regions in the electrochemical double layer, quantitative values for interfacial capacitance, and electrochemical potentials of zero charge for a series of metals. We explore surface charging with applied potential and are able to place our ab initio results directly on the scale associated with the Standard Hydrogen Electrode (SHE). Finally, we provide explicit details for implementation within standard density-functional theory software packages at negligible computational cost over standard calculations carried out within vacuum environments.Comment: 18 pages, 5 figures. Initially presented at APS March Meeting 2010. Accepted for publication in Physical Review B on Jul. 27, 201

Sistemes públics i privats de previsió

The Welfare State is deeply embedded in European culture and it is difficult to disinvent what has already been invented. However an equilibrium must be maintained between income and payments. Special taxes will be needed to sustain a reasonable welfare system. It is also difficult to justify current expenditures and there is wide scope for the rationalisation of consumption and the reduction of fraud. Pensions should be more related to actual payments made. Private pension schemes are necessary to complement the public system. These private pension schemes should be market based. Both public and private systems require freedom of information, so that future beneficiaries always know exactly where they stand

Geysers in the Lagoon: new Herbig-Haro objects in M8

Aims: We search for direct evidence of ongoing star formation by accretion in the Lagoon Nebula (M8), using optical wide-field narrow-band imaging obtained at La Silla Observatory. Methods: We examine [SII] and Halpha images for line-emission features that could be interpreted as signatures of outflow activity of the exciting sources. Results: We discover five new Herbig-Haro objects, study in detail their morphology and attempt to identify their potential driving sources among the population of T Tauri stars and embedded sources in the surroundings. Conclusions: The results reported here conclusively demonstrate the existence of very young stars going through the accreting phase in the M8 region.Comment: 9 pages, 6 postscript figures (one in color). Accepted, Astronomy and Astrophysic

Self-dual formulations of d=3 gravity theories in the path-integral framework

We study the connection, at the quantum level, between d=2+1 dimensional self-dual models with actions of growing (from first to fourth) order, governing the dynamics of helicity +2 (or -2) massive excitations. We obtain identities between generating functionals of the different models using the path-integral framework, this allowing to establish dual maps among relevant vacuum expectation values. We check consistency of these v.e.v.'s with the gauge invariance gained in each mapping.Comment: 26 pages. LaTeX. Minor changes. Published in Int. J Modern Phys. A; http://www.worldscinet.com/ijmp

Printed, Flexible Lactate Sensors: Design Considerations Before Performing On-Body Measurements.

This work reports the process of sensor development, optimization, and characterization before the transition to on-body measurements can be made. Sensors using lactate oxidase as a sensing mechanism and tetrathiafulvalene as a mediator were optimized for sporting applications. Optimized sensors show linear range up to 24 mM lactate and sensitivity of 4.8 μA/mM which normalizes to 68 μA*cm-2/mM when accounting for surface area of the sensor. The optimized sensors were characterized 3 different ways: using commercially available reference and counter electrodes, using printed reference and counter electrodes, and using a printed reference electrode with no counter electrode. Sensors intended for measuring sweat must be selective in the presence of sweat constituents. Thus, in addition to traditional characterization in pH 7.0 buffer, we characterized sensor performance in solutions intended to approximate sweat. Sensor performance in pH 7.0 buffer solution was not reflective of sensor performance in artificial sweat, indicating that further characterization is necessary between sensor measurement in pH 7.0 buffer and on-body measurements. Furthermore, we performed enzyme activity measurements and sensor measurements concurrently in five different salts individually, finding that while NH4Cl and MgCl2 do not affect enzyme activity or sensor performance in physiologically relevant ranges of salt concentration, NaCl concentration or KCl concentration decreases enzyme activity and sensor current. On the other hand, CaCl2 induced a nonlinear change in sensor performance and enzyme activity with increasing salt concentration

Effect of the number of vortices on the torque scaling in Taylor-Couette flow

Torque measurements in Taylor-Couette flow, with large radius ratio and large aspect ratio, over a range of velocities up to a Reynolds number of 24 000 are presented. Following a specific procedure, nine states with distinct number of vortices along the axis were found and the aspect ratio of the vortices were measured. The relationship between the speed and the torque for a given number of vortices is reported. In the turbulent Taylor vortex flow regime, at relatively high Reynolds number, a change in behaviour is observed corresponding to intersections of the torque-speed curves for different states. Before each intersection, the torque for a state with larger number of vortices is higher. After each intersection, the torque for a state with larger number of vortices is lower. The exponent, from the scaling laws of the torque, always depends on the aspect ratio of the vortices. When the Reynolds number is rescaled using the mean aspect ratio of the vortices, only a partial collapse of the exponent data is found.Comment: 11 pages, 6 figure

The eccentric short-period orbit of the supergiant fast X-ray transient HD 74194 (=LM Vel)

Aims. We present the first orbital solution for the O-type supergiant star HD 74194, which is the optical counterpart of the supergiant fast X-ray transient IGR J08408-4503. Methods. We measured the radial velocities in the optical spectrum of HD 74194, and we determined the orbital solution for the first time. We also analysed the complex H{\alpha} profile. Results. HD 74194 is a binary system composed of an O-type supergiant and a compact object in a short-period ($P=9.5436\pm0.0002$ d) and high-eccentricity ($e=0.63\pm0.03$) orbit. The equivalent width of the H{\alpha} line is not modulated entirely with the orbital period, but seems to vary in a superorbital period ($P=285\pm10$ d) nearly 30 times longer than the orbital one.Comment: 4 pages, 6 figures, accepted for publication in A&

Robust ab initio calculation of condensed matter: transparent convergence through semicardinal multiresolution analysis

We present the first wavelet-based all-electron density-functional calculations to include gradient corrections and the first in a solid. Direct comparison shows this approach to be unique in providing systematic ``transparent'' convergence, convergence with a priori prediction of errors, to beyond chemical (millihartree) accuracy. The method is ideal for exploration of materials under novel conditions where there is little experience with how traditional methods perform and for the development and use of chemically accurate density functionals, which demand reliable access to such precision.Comment: 4 pages, 3 figures, 4 tables. Submitted to Phys. Rev. Lett. (updated to include GGA

Sistemes públics i privats de previsió

The Welfare State is deeply embedded in European culture and it is difficult to disinvent what has already been invented. However an equilibrium must be maintained between income and payments. Special taxes will be needed to sustain a reasonable welfare system. It is also difficult to justify current expenditures and there is wide scope for the rationalisation of consumption and the reduction of fraud. Pensions should be more related to actual payments made. Private pension schemes are necessary to complement the public system. These private pension schemes should be market based. Both public and private systems require freedom of information, so that future beneficiaries always know exactly where they stand

Spectroscopic and photometric analysis of the early-type spectroscopic binary HD 161853 in the centre of an H II region

We study the O-type star HD 161853, which has been noted as a probable double-lined spectroscopic binary system. We secured high-resolution spectra of HD 161853 during the past nine years. We separated the two components in the system and measured their respective radial velocities for the first time. We confirm that HD 161853 is an $\sim$1 Ma old binary system consisting of an O8 V star ($M_{\rm A,RV} \geq 22$ M$_\odot$) and a B1--3 V star ($M_{\rm B,RV} \geq 7.2$ M$_\odot$) at about 1.3 kpc. From the radial velocity curve, we measure an orbital period $P$ = 2.66765$\pm$0.00001 d and an eccentricity $e$ = 0.121$\pm$0.007. Its $V$-band light curve is constant within 0.014 mag and does not display eclipses, from which we impose a maximum orbital inclination $i=54$ deg. HD 161853 is probably associated with an H II region and a poorly investigated very young open cluster. In addition, we detect a compact emission region at 50 arcsec to HD 161853 in 22$\mu$m-WISE and 24$\mu$m-Spitzer images, which may be identified as a dust wave piled up by the radiation pressure of the massive binary system.Comment: 5 pages, 4 figures, to appear in A&