First-principles prediction of redox potentials in transition-metal compounds with LDA+U

First-principles calculations within the Local Density Approximation (LDA) or Generalized Gradient Approximation (GGA), though very successful, are known to underestimate redox potentials, such as those at which lithium intercalates in transition metal compounds. We argue that this inaccuracy is related to the lack of cancellation of electron self-interaction errors in LDA/GGA and can be improved by using the DFT+$U$ method with a self-consistent evaluation of the $U$ parameter. We show that, using this approach, the experimental lithium intercalation voltages of a number of transition metal compounds, including the olivine Li$_{x}$MPO$_{4}$ (M=Mn, Fe Co, Ni), layered Li$_{x}$MO$_{2}$ ($x=$Co, Ni) and spinel-like Li$_{x}$M$_{2}$O$_{4}$ (M=Mn, Co), can be reproduced accurately.Comment: 19 pages, 6 figures, Phys. Rev. B 70, 235121 (2004

Exact relativistic treatment of stationary counter-rotating dust disks III. Physical Properties

This is the third in a series of papers on the construction of explicit solutions to the stationary axisymmetric Einstein equations which can be interpreted as counter-rotating disks of dust. We discuss the physical properties of a class of solutions to the Einstein equations for disks with constant angular velocity and constant relative density which was constructed in the first part. The metric for these spacetimes is given in terms of theta functions on a Riemann surface of genus 2. It is parameterized by two physical parameters, the central redshift and the relative density of the two counter-rotating streams in the disk. We discuss the dependence of the metric on these parameters using a combination of analytical and numerical methods. Interesting limiting cases are the Maclaurin disk in the Newtonian limit, the static limit which gives a solution of the Morgan and Morgan class and the limit of a disk without counter-rotation. We study the mass and the angular momentum of the spacetime. At the disk we discuss the energy-momentum tensor, i.e. the angular velocities of the dust streams and the energy density of the disk. The solutions have ergospheres in strongly relativistic situations. The ultrarelativistic limit of the solution in which the central redshift diverges is discussed in detail: In the case of two counter-rotating dust components in the disk, the solutions describe a disk with diverging central density but finite mass. In the case of a disk made up of one component, the exterior of the disks can be interpreted as the extreme Kerr solution.Comment: 30 pages, 20 figures; to appear in Phys. Rev.

Evapotranspiration of native vegetation in the closed basin of the San Luis Valley, Colorado

June 1987.Bibliography: page 21.Grant nos. 14-08-001-G895 and 14-08-0001-G1006; project no. 06; financed in part by the U.S. Department of the Interior, Geological Survey and Bureau of Reclamation, through the Colorado Water Resources Research Institute in cooperation with the U.S.D.A. Agricultural Research Service

A Consistent Picture Emerges: A Compact X-ray Continuum Emission Region in the Gravitationally Lensed Quasar SDSS J0924+0219

We analyze the optical, UV, and X-ray microlensing variability of the lensed quasar SDSS J0924+0219 using six epochs of Chandra data in two energy bands (spanning 0.4-8.0 keV, or 1-20 keV in the quasar rest frame), 10 epochs of F275W (rest-frame 1089A) Hubble Space Telescope data, and high-cadence R-band (rest-frame 2770A) monitoring spanning eleven years. Our joint analysis provides robust constraints on the extent of the X-ray continuum emission region and the projected area of the accretion disk. The best-fit half-light radius of the soft X-ray continuum emission region is between 5x10^13 and 10^15 cm, and we find an upper limit of 10^15 cm for the hard X-rays. The best-fit soft-band size is about 13 times smaller than the optical size, and roughly 7 GM_BH/c^2 for a 2.8x10^8 M_sol black hole, similar to the results for other systems. We find that the UV emitting region falls in between the optical and X-ray emitting regions at 10^14 cm < r_1/2,UV < 3x10^15 cm. Finally, the optical size is significantly larger, by 1.5*sigma, than the theoretical thin-disk estimate based on the observed, magnification-corrected I-band flux, suggesting a shallower temperature profile than expected for a standard disk.Comment: Replaced with accepted version to Ap

ArgoNeuT and the Neutrino-Argon Charged Current Quasi-Elastic Cross Section

ArgoNeuT, a Liquid Argon Time Projection Chamber in the NuMI beamline at Fermilab, has recently collected thousands of neutrino and anti-neutrino events between 0.1 and 10 GeV. The experiment will, among other things, measure the cross section of the neutrino and anti-neutrino Charged Current Quasi-Elastic interaction and analyze the vertex activity associated with such events. These topics are discussed along with ArgoNeuT's automated reconstruction software, currently capable of fully reconstructing the muon and finding the event vertex in neutrino interactions.Comment: 6 pages, 4 figures, presented at the International Nuclear Physics Conference, Vancouver, Canada, July 4-9, 2010, to be published in Journal of Physics: Conference Series (JPCS

Searching for keV Sterile Neutrino Dark Matter with X-ray Microcalorimeter Sounding Rockets

High-resolution X-ray spectrometers onboard suborbital sounding rockets can search for dark matter candidates that produce X-ray lines, such as decaying keV-scale sterile neutrinos. Even with exposure times and effective areas far smaller than XMM-Newton and Chandra observations, high-resolution, wide field-of-view observations with sounding rockets have competitive sensitivity to decaying sterile neutrinos. We analyze a subset of the 2011 observation by the X-ray Quantum Calorimeter instrument centered on Galactic coordinates l = 165, b = -5 with an effective exposure of 106 seconds, obtaining a limit on the sterile neutrino mixing angle of sin^2(2 theta) < 7.2e-10 at 95% CL for a 7 keV neutrino. Better sensitivity at the level of sin^2(2 theta) ~ 2.1e-11 at 95\% CL for a 7 keV neutrino is achievable with future 300-second observations of the galactic center by the Micro-X instrument, providing a definitive test of the sterile neutrino interpretation of the reported 3.56 keV excess from galaxy clusters.Comment: 13 pages, 13 figures, submitted to Ap

Force and energy dissipation variations in non-contact atomic force spectroscopy on composite carbon nanotube systems

UHV dynamic force and energy dissipation spectroscopy in non-contact atomic force microscopy were used to probe specific interactions with composite systems formed by encapsulating inorganic compounds inside single-walled carbon nanotubes. It is found that forces due to nano-scale van der Waals interaction can be made to decrease by combining an Ag core and a carbon nanotube shell in the Ag@SWNT system. This specific behaviour was attributed to a significantly different effective dielectric function compared to the individual constituents, evaluated using a simple core-shell optical model. Energy dissipation measurements showed that by filling dissipation increases, explained here by softening of C-C bonds resulting in a more deformable nanotube cage. Thus, filled and unfilled nanotubes can be discriminated based on force and dissipation measurements. These findings have two different implications for potential applications: tuning the effective optical properties and tuning the interaction force for molecular absorption by appropriately choosing the filling with respect to the nanotube.Comment: 22 pages, 6 figure

Late gadolinium enhancement and subclinical cardiac dysfunction on cardiac MRI in asymptomatic HIV-positive men

Background: HIV is associated with an increased risk of cardiovascular disease (CVD) and related clinical events. While traditional risk factors play an important role in the pathology of cardiovascular disease, HIV infection and its sequelae of immune activation and inflammation may have significant effects on the myocardium before becoming clinically evident. Cardiac MRI (CMR) can be used to detect the pattern of these subclinical changes. This will lead to a better understanding of risk factors contributing to cardiovascular disease prior to it becoming clinically significant in HIV-positive patients. Methods: Prospective cohort study of 127 asymptomatic HIV-positive men on ART compared to 35 matched controls. Baseline demographics, HIV parameters, 12-lead ECG, routine biochemistry, and traditional cardiovascular risk factors were recorded. Images were acquired on a 3T Achieva Philips MRI scanner with 5 channel phase array cardiac coil and weight-based IV gadolinium was given at 0.15 mmol/kg dose with post-contrast inversion recovery imaging after 10 minutes. Results: 6/127 (4.7%) of asymptomatic HIV-positive men had late gadolinium enhancement (LGE) on MRI verses 1/35 (2.9%) in the control group. In 3/6 (50%) of cases this was in a classical infarction pattern with subendocardial involvement. 3/6 (50%) were consistent with prior myocarditis. There was no significant difference in mean LVEF (66.93% vs 65.18%), LVMI (60.05g/m2 vs 55.94g/m2) or posterolateral wall thickness (8.28 mm and 8.16 mm) between cases and controls respectively. There was significantly more diastolic dysfunction, E:A ratio &#60;&#x200A;1, found in the HIV-positive group, 18% vs 7% of controls (p&#x200A;=&#x200A;0.037). Framingham risk did not predict either of these outcomes. Conclusions: There is an increased incidence of LGE detected on CMR in this asymptomatic HIV-positive cohort. Two distinct pathological processes were identifed as causing these changes, myocardial infarction and myocarditis. These findings were independent of traditional cardiac risk factors, duration of HIV infection and ART therapy. Sub clinical cardiac dysfunction may be underreported in other cardiac evaluation studies. The true impact of other potential risk factors may also be underestimated, highlighting the need for the development of more complex prediction models