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

Symmetry breaking in crossed magnetic and electric fields

We present the first observations of cylindrical symmetry breaking in highly excited diamagnetic hydrogen with a small crossed electric field, and we give a semiclassical interpretation of this effect. As the small perpendicular electric field is added, the recurrence strengths of closed orbits decrease smoothly to a minimum, and revive again. This phenomenon, caused by interference among the electron waves that return to the nucleus, can be computed from the azimuthal dependence of the classical closed orbits.Comment: 4 page REVTeX file including 5 postscript files (using psfig) Accepted for publication in Physical Review Letters. Difference from earlier preprint: we have discovered the cause of the earlier apparent discrepancy between experiment and theory and now achieve excellent agreemen

Growth and texture of Spark Plasma Sintered Al2O3 ceramics: a combined analysis of X-rays and Electron Back Scatter Diffraction

Textured alumina ceramics were obtained by Spark Plasma Sintering (SPS) of undoped commercial a-Al2O3 powders. Various parameters (density, grain growth, grain size distribution) of the alumina ceramics, sintered at two typical temperatures 1400{\deg}C and 1700{\deg}C, are investigated. Quantitative textural and structural analysis, carried out using a combination of Electron Back Scattering Diffraction (EBSD) and X-ray diffraction (XRD), are represented in the form of mapping, and pole figures. The mechanical properties of these textured alumina ceramics include high elastic modulus and hardness value with high anisotropic nature, opening the door for a large range of applicationsComment: 16 pages, 6 figures, submitted to J. Appl. Phy

Planet Candidates from K2 Campaigns 5-8 and Follow-Up Optical Spectroscopy

We present 151 planet candidates orbiting 141 stars from K2 campaigns 5-8 (C5-C8), identified through a systematic search of K2 photometry. In addition, we identify 16 targets as likely eclipsing binaries, based on their light curve morphology. We obtained follow-up optical spectra of 105/141 candidate host stars and 8/16 eclipsing binaries to improve stellar properties and to identify spectroscopic binaries. Importantly, spectroscopy enables measurements of host star radii with $\approx$10% precision, compared to $\approx$40% precision when only broadband photometry is available. The improved stellar radii enable improved planet radii. Our curated catalog of planet candidates provides a starting point for future efforts to confirm and characterize K2 discoveries.Comment: Accepted for publication in the Astronomical Journal; 17 pages, 8 figures, 2 tables, download source for full table

On osp(2|2) conformal field theories

We study the conformal field theories corresponding to current superalgebras $osp(2|2)^{(1)}_k$ and $osp(2|2)^{(2)}_k$. We construct the free field realizations, screen currents and primary fields of these current superalgebras at general level $k$. All the results for $osp(2|2)^{(2)}_k$ are new, and the results for the primary fields of $osp(2|2)^{(1)}_k$ also seem to be new. Our results are expected to be useful in the supersymmetric approach to Gaussian disordered systems such as random bond Ising model and Dirac model.Comment: LaTex file 20 pages; Title changed and modifications mad

Evaluation of parent-reported feeding practices in a racially diverse, treatment-seeking child overweight/obesity sample

This study examined psychometric properties and baseline/post-treatment racial differences in the Child Feeding Questionnaire (CFQ) in parents of overweight/obese children in a randomized controlled obesity trial. Participants were 302 (n=285 mothers, n=17 fathers) diverse (n=207 Black, n=80 White), treatment-seeking parents of children (5–11 years) with overweight/obesity. CFQ data fit an established factor structure (Anderson et al, 2005) in the full sample and subsample of Black parents. Black parents had higher scores than White parents on only Pressure to Eat. The CFQ yields reliable and valid scores in a racially diverse treatment-seeking sample, suggesting its utility in culturally-sensitive pediatric obesity treatment

Solute Fluxes Through Restored Prairie and Intensively Managed Critical Zones in Nebraska and Iowa

Agricultural activities in the Midwestern United States have potentially altered geochemical fluxes within the critical zone (CZ) compared to native prairie systems that previously dominated the region. To quantify the impact of agricultural land use on soil and stream solute behavior, we are studying two watersheds in the region: Glacier Creek Preserve (GCP) in eastern Nebraska and the Intensively Managed Landscapes Critical Zone Observatory (IML-CZO) in eastern Iowa. Both watersheds were initially under agricultural land use for over 100 years, but part of each watershed was restored to prairie 20 – 50 years ago. Soils at both sites formed in thick Peoria loess (≥6 m) overlying glacial till with similar mean annual temperatures (∼10∘C) but slightly higher mean annual precipitation in Iowa (89 cm) compared to Nebraska (78 cm). At both sites, soil pore water and precipitation were collected every 2–4 weeks to measure anions, cations, and alkalinity; stream waters draining either restored prairie or agriculture were sampled similarly in Nebraska. Both soil moisture content and electrical conductivity were consistently higher in the upper one meter of agricultural soils compared to prairie soils in Nebraska, implying slower drainage and higher solute concentrations in the agricultural soils. At both sites, soil pore water Ca2+ and Mg2+ concentrations and annual fluxes were significantly higher in agricultural soils compared to restored prairie. Conversely, streams draining restored prairie have significantly higher Ca2+and Mg2+ concentrations than the agricultural streams. Fluxes from agricultural streams, however, were higher than the prairie, pointing to a potential dilution effect of runoff from the agricultural land use. These observations lead to a conceptual model where deeply infiltrating water in restored prairie soils interacts with minerals present deeper in the soil before reaching the stream whereas in agricultural soils water does not infiltrate as deeply and thus experiences more shallow flowpaths to the stream. Furthermore, changes in geochemical and hydrologic fluxes have been realized in just a few decades since switching land use from agriculture to prairie. Thus, intensive agricultural land use may alter soil function and solute transport to streams compared to critical zones hosting tallgrass prairie vegetation