Ab initio many-body calculations on infinite carbon and boron-nitrogen chains

In this paper we report first-principles calculations on the ground-state electronic structure of two infinite one-dimensional systems: (a) a chain of carbon atoms and (b) a chain of alternating boron and nitrogen atoms. Meanfield results were obtained using the restricted Hartree-Fock approach, while the many-body effects were taken into account by second-order M{\o}ller-Plesset perturbation theory and the coupled-cluster approach. The calculations were performed using 6-31$G^{**}$ basis sets, including the d-type polarization functions. Both at the Hartree-Fock (HF) and the correlated levels we find that the infinite carbon chain exhibits bond alternation with alternating single and triple bonds, while the boron-nitrogen chain exhibits equidistant bonds. In addition, we also performed density-functional-theory-based local density approximation (LDA) calculations on the infinite carbon chain using the same basis set. Our LDA results, in contradiction to our HF and correlated results, predict a very small bond alternation. Based upon our LDA results for the carbon chain, which are in agreement with an earlier LDA calculation calculation [ E.J. Bylaska, J.H. Weare, and R. Kawai, Phys. Rev. B 58, R7488 (1998).], we conclude that the LDA significantly underestimates Peierls distortion. This emphasizes that the inclusion of many-particle effects is very important for the correct description of Peierls distortion in one-dimensional systems.Comment: 3 figures (included). To appear in Phys. Rev.

Effects of C, Cu and Be substitutions in superconducting MgB2

Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in MgB2 with C and Be alone and combined with alloying of the Mg site with Cu. The effect of such substitutions on the electronic structure, electron phonon coupling and superconductivity are discussed. We find that Be substitution for B is unfavorable for superconductivity as it leads to a softer lattice and weaker electron-phonon couplings. Replacement of Mg by Cu leads to an increase in the stiffness and doping level at the same time, while the carrier concentration can be controlled by partial replacement of B by C. We estimate that with full replacement of Mg by Cu and fractional substitution of B by C, Tc values of 50K may be attainable.Comment: 5 pages, 4 figure

Electronic and structural properties of superconducting MgB2_2, CaSi2_2 and related compounds

We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include zone-center phonon frequencies and transport properties, are performed within the local density approximation to the density functional theory, using the full-potential linearized augmented plane wave (FLAPW) and the norm-conserving pseudopotential methods. Our results indicate essentially three-dimensional properties for these compounds; however, strongly two-dimensional $\sigma$-bonding bands contribute significantly at the Fermi level. Similarities and differences between \mgbtwo and \bebtwo (whose superconducting properties have not been yet investigated) are analyzed in detail. Our calculations for \mgalbtwo show that metal substitution cannot be fully described in a rigid band model. \casitwo is studied as a function of pressure, and Be substitution in the Si planes leads to a stable compound similar in many aspects to diborides.Comment: Revised version, Phys.Rev.B in pres

Efficient photoionization for barium ion trapping using a dipole-allowed resonant two-photon transition

Two efficient and isotope-selective resonant two-photon ionization techniques for loading barium ions into radio-frequency (RF)-traps are demonstrated. The scheme of using a strong dipole-allowed transition at \lambda=553 nm as a first step towards ionization is compared to the established technique of using a weak intercombination line (\lambda=413 nm). An increase of two orders of magnitude in the ionization efficiency is found favoring the transition at 553 nm. This technique can be implemented using commercial all-solid-state laser systems and is expected to be advantageous compared to other narrowband photoionization schemes of barium in cases where highest efficiency and isotope-selectivity are required.Comment: 8 pages, 5 figure

Impact of frequency of feedline soaking combined with evaporative air cooling in a humid environment

Heat stress in hot and humid environments reduces milk production, decreases reproduction, and increases health-related problems. The summertime environment in north-central Florida is especially difficult because the combination of high relative humidity and high temperature results in a temperaturehumidity index (THI) above the critical value of 72 for significant portions of the day. Previous work at Kansas State University had shown that the combination of soaking and evaporative air cooling could effectively cool heat-stressed cattle. Effectiveness of this feedline soaking, either in the afternoon and at night, or only at night, in combination with evaporative cooling was evaluated on a commercial dairy located in north-central Florida. A high-pressure fogging system and feedline soakers were installed in a typical 4-row freestall barn equipped with tunnel ventilation creating a north to south airflow of 6 to 8 mph at the cow level. Eight lactating Holstein cows in each of two, 292-stall pens were selected and fitted with vaginal temperature probes. Data on vaginal temperature and respiration rate were used to evaluate two cooling treatments. Barn temperature averaged 74.8 ± 5.4ºF, relative humidity was 84.6 ± 15.4 %, and THI was 74.7 ± 5.3 during the study. The evaporative cooling system reduced average barn temperature by 0.9ºF and reduced afternoon temperatures by a maximum of 9.2ºF. Average respiration rates were less (58.5 vs. 66.9 breaths/min) in the afternoon and night soaking treatment, compared with the respiration rate of cattle in the night soaking treatment. Differences were greatest at the 10:00 p.m. observation (55.0 vs. 73.3 breaths/min). Average vaginal temperature was also less (102.0 vs. 102.6°F) in the afternoon and night soaking treatment. Our results indicate that the combination of cooling the air via a highpressure fogging system and feedline soaking reduced heat stress experienced by dairy cattle. Using feedline soaking during the afternoon and night was more effective than soaking only at night.; Dairy Day, 2005, Kansas State University, Manhattan, KS, 2005; Dairy Research, 2005 is known as Dairy Day, 200

Modeling quark-hadron duality for relativistic, confined fermions

We discuss a model for the study of quark-hadron duality in inclusive electron scattering based on solving the Dirac equation numerically for a scalar confining linear potential and a vector color Coulomb potential. We qualitatively reproduce the features of quark-hadron duality for all potentials considered, and discuss similarities and differences to previous models that simplified the situation by treating either the quarks or all particles as scalars. We discuss the scaling results for PWIA and FSI, and the approach to scaling using the analog of the Callan-Gross relation for y-scaling.Comment: 38 pages, 21 figure

Tritium concentrations in bees and honey at Los Alamos National Laboratory: 1979-1996

Honeybees are effective monitors of environmental pollution. The objective of this study was to summarize tritium ({sup 3}H) concentrations in bees and honey collected from within and around Los Alamos National Laboratory (LANL) over an 18-year period. Based on the long-term average, bees from nine out of eleven hives and honey from six out of eleven hives on LANL lands contained {sup 3}H that was significantly higher (p <0.05) than background. The highest average concentration of {sup 3}H in bees (435 pCi mL{sup -1}) collected over the years was from LANL`s Technical Area (TA) 54-a low-level radioactive waste disposal site (Area G). Similarly, the highest average concentration of {sup 3}H in honey (709 pCi mL{sup - 1}) was collected from a hive located near three {sup 3}H storage ponds at LANL TA-53. The average concentrations of {sup 3}H in bees and honey from background hives was 1.0 pCi mL{sup -1} and 1.5 pCi ML{sup -1}, respectively. Although the concentrations of 3H in bees and honey from most LANL and perimeter (White Rock/Pajarito Acres) areas were significantly higher than background, most areas, with the exception of TA-53 and TA-54, generally exhibited decreasing 3H concentrations over time

Measurement of D*+/- meson production in jets from pp collisions at sqrt(s) = 7 TeV with the ATLAS detector

This paper reports a measurement of D*+/- meson production in jets from proton-proton collisions at a center-of-mass energy of sqrt(s) = 7 TeV at the CERN Large Hadron Collider. The measurement is based on a data sample recorded with the ATLAS detector with an integrated luminosity of 0.30 pb^-1 for jets with transverse momentum between 25 and 70 GeV in the pseudorapidity range |eta| < 2.5. D*+/- mesons found in jets are fully reconstructed in the decay chain: D*+ -> D0pi+, D0 -> K-pi+, and its charge conjugate. The production rate is found to be N(D*+/-)/N(jet) = 0.025 +/- 0.001(stat.) +/- 0.004(syst.) for D*+/- mesons that carry a fraction z of the jet momentum in the range 0.3 < z < 1. Monte Carlo predictions fail to describe the data at small values of z, and this is most marked at low jet transverse momentum.Comment: 10 pages plus author list (22 pages total), 5 figures, 1 table, matches published version in Physical Review

Analysis of the modes of energy consumption of the complex of an incoherent scattering of the institute of ionosphere of national academy of sciences and the ministry of education and science of Ukraine

У даній статті представлені результати аналізу режимів енергоспоживання комплексу некогерентного розсіяння Інституту іоносфери НАН і МОН України з метою вирішення проблеми підвищення енергоефективності науково-дослідного комплексу та створення енергоефективної системи електропостачання, яка забезпечить стійку роботу наукового обладнання для виконання дослідницьких програм НАН України. Описана система електроживлення комплексу та режими енергоспоживання комплексу. Описано пристрої радарної системи, а також найбільш потужні споживачі електроенергії, які споживають електроенергію на експериментальні і господарські потреби. Проаналізовано енергоспоживання комплексу некогерентного розсіяння за 2013 р. Отримано і представлено графіки середньої споживаної потужності (середньодобовий показник) і середньої споживаної потужності в режимі вимірювань. Описана доцільність проведення робіт з оптимізації енергопостачання науково-дослідного комплексу Інституту іоносфери. Запропоновано можливі заходи для зниження економічної вартості проведення експериментів з дослідження іоносфери науково-дослідного комплексу некогерентного розсіяння. Проведено аналіз робіт сучасних авторів з метою показати, що підвищення ефективності функціонування систем електропостачання є актуальною проблемою сучасних досліджень.This article presents the results of the analysis of the energy consumption modes of the incoherent scattering complex of the Institute of Ionosphere of the National Academy of Sciences and the Ministry of Education and Science of Ukraine to solve the problem of increasing the energy efficiency of a research complex and creating an energy efficient power supply system that will ensure the sustainability of scientific equipment for research programs of the National Academy of Sciences of Ukraine. The system of power supply of the complex and modes of power consumption of the complex are described. The devices of the radar system are described, as well as the most powerful consumers of electricity, which consume electricity for experimental and economic needs. The energy consumption of the incoherent scattering complex in 2013 is analyzed. Graphs of the average power consumption (daily average) and average power consumption in measurement modes were obtained and presented. The feasibility of work to optimize the energy supply of the research complex of the institute of the ionosphere is described. Possible measures are proposed to reduce the economic cost of conducting experiments on the study of the ionosphere of an incoherent scattering research complex. The analysis of the works of modern authors i s carried out in order to show that increasing the efficiency of the power supply systems is an actual problem of modern research

Arc requires PSD95 for assembly into postsynaptic complexes involved with neural dysfunction and intelligence

Arc is an activity-regulated neuronal protein, but little is known about its interactions, assembly into multiprotein complexes, and role in human disease and cognition. We applied an integrated proteomic and genetic strategy by targeting a tandem affinity purification (TAP) tag and Venus fluorescent protein into the endogenous Arc gene in mice. This allowed biochemical and proteomic characterization of native complexes in wild-type and knockout mice. We identified many Arc-interacting proteins, of which PSD95 was the most abundant. PSD95 was essential for Arc assembly into 1.5-MDa complexes and activity-dependent recruitment to excitatory synapses. Integrating human genetic data with proteomic data showed that Arc-PSD95 complexes are enriched in schizophrenia, intellectual disability, autism, and epilepsy mutations and normal variants in intelligence. We propose that Arc-PSD95 postsynaptic complexes potentially affect human cognitive function