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At least 1,009 records · Page 56

Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller–Plesset Perturbation Theory

A stochastic orbital approach to the resolution of identity (RI) approximation for 4-index electron repulsion integrals (ERIs) is presented. The stochastic RI-ERIs are then applied to second order Møller–Plesset perturbation theory (MP2) utilizing a multiple stochastic orbital approach. The introduction of multiple stochastic orbitals results in an O(N AO 3 ) scaling for both the stochastic RI-ERIs and stochastic RI-MP2, NAO being the number of basis functions. For a range of water clusters we demonstrate that this method exhibits a small prefactor and observed scalings of O(N e 2.4 ) for total energies and O(N e 3.1 ) for forces (N e being the number of correlated electrons), outperforming MP2 for clusters with as few as 21 water molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Solvent Quality and Monomer Water Solubility on Soft Nanoparticle Morphology

Previous investigations have identified the correlation between synthetic conditions and soft nanoparticle morphology, including their molecular weight, internal crosslinked structure, total nanoparticle radius, and topology, or degree of “fuzziness” of each nanoparticle. To provide further insight to these guidelines, we examine the effect of surfactant concentration and monomer water solubility on the topology, size, and polydispersity of soft poly(butyl acrylate) nanoparticles. Small-angle neutron scattering studies confirm that increased monomer water solubility and polymer chain flexibility decreases the control of nanoparticle topology and size in a nano-emulsion polymerization. Further studies document the morphological change of polystyrene soft nanoparticles with a decrease in solvent quality. Small-angle neutron scattering was also used to characterize dilute solutions of soft polystyrene nanoparticles in a good and theta solvent, including the analysis of their internal structure. When the soft nanoparticles are dispersed in a thermodynamically good solvent they exhibit a swollen morphology, however, when dispersed in a theta solvent, the nanoparticle core contracts due to unfavorable thermodynamic interactions. Moreover, the structure of soft nanoparticles in a theta solvent provides insight that will guide the interpretation of the behavior of soft nanoparticles dispersed into a bulk polymer matrix.

Martin, Halie J.↗

Global biogeography of microbial nitrogen-cycling traits in soil

Microorganisms drive much of the Earth’s nitrogen (N) cycle, but we still lack a global overview of the abundance and composition of the microorganisms carrying out soil N processes. To address this gap, we characterized the biogeography of microbial N traits, defined as eight N-cycling pathways, using publically available soil metagenomes. The relative frequency of N pathways varied consistently across soils, such that the frequencies of the individual N pathways were positively correlated across the soil samples. Habitat type, soil carbon, and soil N largely explained the total N pathway frequency in a sample. In contrast, we could not identify major drivers of the taxonomic composition of the N functional groups. Further, the dominant genera encoding a pathway were generally similar among habitat types. The soil samples also revealed an unexpectedly high frequency of bacteria carrying the pathways required for dissimilatory nitrate reduction to ammonium, a little-studied N process in soil. Finally, phylogenetic analysis showed that some microbial groups seem to be N-cycling specialists or generalists. For instance, taxa within the Deltaproteobacteria encoded all eight N pathways, whereas those within the Cyanobacteria primarily encoded three pathways. Overall, this trait-based approach provides a baseline for investigating the relationship between microbial diversity and N cycling across global soils.

Nelson, Michaeline B.↗

Deep uGMRT observations of the ELAIS-North 1 field: statistical properties of radio–infrared relations up to z ∼ 2

ABSTRACT Comprehending the radio–infrared (IR) relations of the faint extragalactic radio sources is important for using radio emission as a tracer of star formation in high redshift (z) star-forming galaxies (SFGs). Using deep uGMRT observations of the ELAIS-N1 field in the 0.3–0.5 GHz range, we study the statistical properties of the radio–IR relations and the variation of the ‘q-parameter’ up to z = 2 after broadly classifying the faint sources as SFGs and AGN. We find the dust temperature (Tdust) to increase with z. This gives rise to $q_{\rm 24\,\mu m}$, measured at $24\, \mu$m, to increase with z as the peak of IR emission shifts towards shorter wavelengths, resulting in the largest scatter among different measures of q-parameters. $q_{\rm 70\,\mu m}$ measured at $70\, \mu$m, and qTIR using total-IR (TIR) emission are largely unaffected by Tdust. We observe strong, non-linear correlations between the radio luminosities at 0.4 and 1.4 GHz with $70\, \mu$m luminosity and TIR luminosity(LTIR). To assess the possible role of the radio-continuum spectrum in making the relations non-linear, for the first time we study them at high z using integrated radio luminosity (LRC) in the range 0.1–2 GHz. In SFGs, the LRC–LTIR relation remains non-linear with a slope of 1.07 ± 0.02, has a factor of 2 lower scatter compared to monochromatic radio luminosities, and $q^{\rm RC}_{\rm TIR}$ decreases with z as $q^{\rm RC}_{\rm TIR}= (2.27 \pm 0.03)\, (1+z)^{-0.12 \pm 0.03}$. A redshift variation of q is a natural consequence of non-linearity. We suggest that a redshift evolution of magnetic field strengths and/or cosmic ray acceleration efficiency in high-z SFGs could give rise to non-linear radio–IR relations.

79 ASTRONOMY AND ASTROPHYSICS↗

Efficient method for estimating the time evolution of the proto-neutron star mass and radius from a supernova neutrino signal

In this paper, we present a novel method to estimate the time evolution of the proto-neutron star (PNS) structure from the neutrino signal in a core-collapse supernova (CCSN). Employing recent results from multidimensional CCSN simulations, we delve into a relation between the total emitted neutrino energy (TONE) and PNS mass/radius, and we find that they are strongly correlated with each other. We fit the relation by simple polynomial functions connecting the TONE to the mass and radius of the PNS as a function of time. By combining another fitting function representing the correlation between the TONE and the cumulative number of events at each neutrino observatory, the PNS mass and radius can be retrieved from purely observed neutrino data. We demonstrate retrievals of PNS mass and radius from mock data of the neutrino signal, and we assess the capability of our proposed method. While underlining the limitations of the method, we also discuss the importance of the joint analysis with the gravitational wave signal. This would reduce uncertainties of parameter estimations in our method, and may narrow down the possible neutrino oscillation model. The proposed method is a very easy and inexpensive computation, which will be useful in real data analysis of the CCSN neutrino signal.

79 ASTRONOMY AND ASTROPHYSICS↗

Properties of the 256 Db decay chain

Experiments were performed at Lawrence Berkeley National Laboratory's 88-Inch Cyclotron Facility to study the decays of neutron-deficient dubnium isotopes. These isotopes were produced in the 206 Pb( 51 V, xn) 255,256 Db reaction, and excitation functions were measured. This article reports on the observed properties of the 256 Db decay chain. The produced 256 Db nuclei were separated from unreacted-beam material and reaction byproducts with the Berkeley Gas-filled Separator (BGS) before being implanted into a double-sided silicon strip detector at the BGS focal plane. Decay properties of 256 Db and its daughters were then extracted from the analysis of correlations between implanted Db nuclei with α decay chains and spontaneous fission (SF) events. In total, 86 decay chains and 38 SF events were observed, giving increased statistics as compared to previous studies. In conclusion, improved decay data are presented for 256 Db and its daughter isotopes 252 Lr, 252 No, 248 Md, 248 Fm, 244 Es, and 244 Cf.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTi O 3

Here we consider theoretically the paramagnetic phases of EuTiO 3 that represent configurations created by two sets of microscopic degrees of freedom (m-DOFs): positional symmetry breaking due to octahedral rotations and magnetic symmetry breaking due to spin disorder. The effect of these sets of m-DOFs on the electronic structure and properties of the para phases is assessed by considering sufficiently large (super) cells with the required nominal global average symmetry, allowing, however, the $\mathcal{local}$ positional and magnetic symmetries to be lowered. We find that tendencies for local symmetry breaking can be monitored by following total energy lowering in mean-fieldlike density-functional theory, without recourse for strong correlation effects. While most nominally cubic ABO 3 perovskites are known for their symmetry breaking due to the B-atom sublattice, the case of f-electron magnetism in EuTiO 3 is associated with A-sublattice symmetry breaking and its coupling to structural distortions. We find that (i) paramagnetic $\mathcal{cubic}$ EuTiO 3 has an intrinsic tendency for both magnetic and positional symmetry breaking, while paramagnetic $\mathcal{tetragonal}$ EuTiO 3 has only magnetic symmetry lowering and no noticeable positional symmetry lowering with respect to low-temperature antiferromagnetic tetragonal phase. (ii) Properly modeled paramagnetic tetragonal and cubic EuTiO 3 have a nonzero local magnetic moment on each Eu ion, consistent with the experimental observations of local magnetism in the para phases of EuTiO 3 significantly above the Néel temperature. Interestingly, (iii) the local positional distortion modes in the short-range ordered para phases are inherited from the long-range ordered low-temperature antiferromagnetic ground-state phase.

36 MATERIALS SCIENCE↗

Long-Term Cr Poisoning Effect on LSCF-GDC Composite Cathodes Sintered at Different Temperatures

Here, the impact of sintering temperature on Cr-poisoning of solid oxide fuel cell (SOFC) cathodes was systematically studied. La 0.6 Sr 0.4 Fe 0.8 Co 0.2 O 3-δ - Ce 0.9 Gd 0.1 O 2-δ symmetric cells were aged at 750°C in synthetic air with the presence of Crofer 22 APU, a common high temperature interconnect, over 200 hours and electrochemical impedance spectroscopy (EIS) was used to determine the degradation process. Both the ohmic resistance (R Ω ) and polarization resistance (R P ) of LSCF-GDC cells, extracted from EIS spectra, for different sintering temperatures increase as a function of aging time. Furthermore, the Cr-related degradation rate increases with decreased cathode sintering temperature. The polarization resistance of cathode sintered at lower temperature (950°C) increases dramatically while aging with the presence of Cr and also significantly decreases the oxygen partial pressure dependence after aging. The degradation rate shows a positive correlation to the concentration of Cr. The results indicate that decreased sintering temperature increases the total surface area, leading to more available sites for Sr-Cr-O nucleation and thus greater Cr degradation.

30 DIRECT ENERGY CONVERSION↗

Ebolavirus Glycoprotein Fc Fusion Protein Protects Guinea Pigs against Lethal Challenge

Ebola virus (EBOV), a member of the Filoviridae that can cause severe hemorrhagic fever in humans and nonhuman primates, poses a significant threat to the public health. Currently, there are no licensed vaccines or therapeutics to prevent and treat EBOV infection. Several vaccines based on the EBOV glycoprotein (GP) are under development, including vectored, virus-like particles, and protein-based subunit vaccines. We previously demonstrated that a subunit vaccine containing the extracellular domain of the Ebola ebolavirus (EBOV) GP fused to the Fc fragment of human IgG1 (EBOVgp-Fc) protected mice against EBOV lethal challenge. Here, we show that the EBOVgp-Fc vaccine formulated with QS-21, alum, or polyinosinic-polycytidylic acid-poly-L-lysine carboxymethylcellulose (poly-ICLC) adjuvants induced strong humoral immune responses in guinea pigs. The vaccinated animals developed anti-GP total antibody titers of approximately 10 5 –10 6 and neutralizing antibody titers of approximately 10 3 as assessed by a BSL-2 neutralization assay based on vesicular stomatitis virus (VSV) pseudotypes. The poly-ICLC formulated EBOVgp-Fc vaccine protected all the guinea pigs against EBOV lethal challenge performed under BSL-4 conditions whereas the same vaccine formulated with QS-21 or alum only induced partial protection. Vaccination with a mucin-deletedEBOVgp-Fc construct formulated with QS-21 adjuvant did not have a significant effect in anti-GP antibody levels and protection against EBOV lethal challenge compared to the full-lengthGP construct. The bulk of the humoral response induced by the EBOVgp-Fc vaccine was directed against epitopes outside the EBOV mucin region. Our findings indicate that different adjuvants can eliciting varying levels of protection against lethal EBOV challenge in guinea pigs vaccinated with EBOVgp-Fc,and suggest that levels of total anti-GP antibodies elicit by protein-based GP subunit vaccines do not correlate with protection. In conclusion, our data further support the development of Fc fusions of GP as a candidate vaccine for human use.

59 BASIC BIOLOGICAL SCIENCES↗

ALMA IMAGING OF THE CO (6-5) LINE EMISSION IN NGC 7130

In this paper, we report our high-resolution (0.″20 × 0.″14 or ∼70 × 49 pc) observations of the CO(6-5) line emission, which probes warm and dense molecular gas, and the 434 μm dust continuum in the nuclear region of NGC 7130, obtained with the Atacama Large Millimeter Array (ALMA). The CO line and dust continuum fluxes detected in our ALMA observations are 1230 ± 74 Jy km s{sup −1} and 814 ± 52 mJy, respectively, which account for 100% and 51% of their total fluxes. We find that the CO(6-5) and dust emissions are generally spatially correlated, but their brightest peaks show an offset of ∼70 pc, suggesting that the gas and dust emissions may start decoupling at this physical scale. The brightest peak of the CO(6-5) emission does not spatially correspond to the radio continuum peak, which is likely dominated by an active galactic nucleus (AGN). This, together with our additional quantitative analysis, suggests that the heating contribution of the AGN to the CO(6-5) emission in NGC 7130 is negligible. The CO(6-5) and the extinction-corrected Pa-α maps display striking differences, suggestive of either a breakdown of the correlation between warm dense gas and star formation at linear scales of <100 pc or a large uncertainty in our extinction correction to the observed Pa-α image. Over a larger scale of ∼2.1 kpc, the double-lobed structure found in the CO(6-5) emission agrees well with the dust lanes in the optical/near-infrared images.

79 ASTRONOMY AND ASTROPHYSICS↗

RELATIVE CONTRIBUTION OF THE MAGNETIC FIELD BARRIER AND SOLAR WIND SPEED IN ICME-ASSOCIATED FORBUSH DECREASES

We study 50 cosmic-ray Forbush decreases (FDs) from the Oulu neutron monitor data during 1997–2005 that were associated with Earth-directed interplanetary coronal mass ejections (ICMEs). Such events are generally thought to arise due to the shielding of cosmic rays by a propagating diffusive barrier. The main processes at work are the diffusion of cosmic rays across the large-scale magnetic fields carried by the ICME and their advection by the solar wind. In an attempt to better understand the relative importance of these effects, we analyze the relationship between the FD profiles and those of the interplanetary magnetic field (B) and the solar wind speed (V {sub sw}). Over the entire duration of a given FD, we find that the FD profile is generally (anti)correlated with the B and V {sub sw} profiles. This trend holds separately for the FD main and recovery phases too. For the recovery phases, however, the FD profile is highly anti-correlated with the V {sub sw} profile, but not with the B profile. While the total duration of the FD profile is similar to that of the V {sub sw} profile, it is significantly longer than that of the B profile. Using the convection–diffusion model, a significant contribution of advection by solar wind is found during the recovery phases of the FD.

79 ASTRONOMY AND ASTROPHYSICS↗

Thermal Analysis Methods and Basic Heat-Transfer Data for a Turbulent Heating Flight Experiment at Mach 20 (Reentry F)

A heat-transfer experiment was flight conducted on a 5 deg half-angle cone, 396.2 cm (13 ft) in length, as it entered the sensible atmosphere under laminar, transitional, and turbulent boundary-layer conditions at a free-stream Mach number of about 20. Accurate turbulent-heat-transfer data with natural transition were obtained for correlation with theories in regions of simultaneous high Mach number, Reynolds number, enthalpy, and total-to-wall temperature ratio. Temperatures were measured at four depths through the 15.24-mm-thick (0.600-in.) beryllium wall. Experimental heating rates at 20 stations on the cone were determined independently from the outermost temperature measurement and from the temperature measurement at the second depth by a single-thermocouple inverse method and also from the temperature histories at all four depths by an integral method. The thermal data analysis procedure, associated problems, and results are presented herein.

Howard, Floyd G.↗

Magnetic stress anisotropy field in plated cylindrical Permalloy films.

An analysis is made of the magnetic stress anisotropy field (Hks) arising from internal and external stress sources in plated-wire memory elements. The analysis takes into consideration circumferential composition variation and cylindrical geometry of the Permalloy film. Expressions are derived relating Hks to uniaxial film stress, average composition, and amplitude of composition variation. A result of particular importance is that even for average zeromagnetostrictive composition (ZMC) films, Hks may still make an appreciable contribution to the total anisotropy field if the composition is not uniform. Calculated Hks characteristics are shown to correlate with anisotropy field changes observed in annealing experiments. Examples are given to show the importance of composition uniformity in determining the stability of the anisotropy field. The utility of the analysis is extended by the inclusion of data expressing the inverse relation between anisotropy field and easy-axis dispersion in the film.

Lutes, O. S.↗

Recent advances in satellite observations of solar variability and global atmospheric ozone

A description is given of the temporal behavior of the sun as an ultraviolet variable star in relation to daily zonal means of atmospheric ozone from the total amount to that above the 10-mb and 4-mb pressure levels. A significant correlation has been observed between enhancements in the ultraviolet solar irradiances and terrestrial passages of the solar magnetic field sector boundary structure. However, it has not yet been possible to separate solar from the dynamical effects on the variability in the zonal means of ozone. Attention is given to global changes in ozone which have been derived from the satellite observations in terms of season, solar variability, and major stratospheric disturbances such as stratospheric warmings.

Heath, D. F.↗

Coordinated aircraft and ship surveys for determining impact of river inputs on great lakes waters. Remote sensing results

The remote sensing results of aircraft and ship surveys for determining the impact of river effluents on Great Lakes waters are presented. Aircraft multi-spectral scanner data were acquired throughout the spring and early summer of 1976 at five locations: the West Basin of Lake Erie, Genesee River - Lake Ontario, Menomonee River - Lake Michigan, Grand River - Lake Michigan, and Nemadji River - Lake Superior. Multispectral scanner data and ship surface sample data are correlated resulting in 40 contour plots showing large-scale distributions of parameters such as total suspended solids, turbidity, Secchi depth, nutrients, salts, and dissolved oxygen. The imagery and data analysis are used to determine the transport and dispersion of materials from the river discharges, especially during spring runoff events, and to evaluate the relative effects of river input, resuspension, and shore erosion. Twenty-five LANDSAT satellite images of the study sites are also included in the analysis. Examples of the use of remote sensing data in quantitatively estimating total particulate loading in determining water types, in assessing transport across international boundaries, and in supporting numerical current modeling are included. The importance of coordination of aircraft and ship lake surveys is discussed, including the use of telefacsimile for the transmission of imagery.

Raquet, C. A.↗

Experimental Droplet Impingement on Four Bodies of Revolution

The rate and. area of cloud droplet impingement on four bodies of revolution were obtained experimentally in the NACA Lewis icing tunnel with a dye-tracer technique. The study included spheres, ellipsoidal forebodies of fineness ratios of 2.5 and 3.0, and a conical forebody of 300 included angle and covered a range of angles of attack from 0? to 60 and rotational speeds up to 1200 rpm. The data were obtained at an airspeed of 157 knots and are correlated by dimensionless impingement parameters. In general, the experimental data show that the local and total impingement rates and impingement limits of bodies of revolution are primarily functions of the modified inertia parameters, the body shape, and fineness ratio. Both the local impingement rate and impingement limits depend upon the angle of attack. Rotation of the bodies had a negligible effect on the impingement characteristics except for an averaging effect at angle of attack. For comparable diameters the bluffer bodies had the largest total impingement efficiency, but the finer and sharper bodies had the largest values of maximum local impingement efficiency and, in most cases, the largest limits of impingement. In most cases, the impingement characteristics were less than those calculated from theoretical trajectories; in general, however, fairly good agreement was obtained between the experimental and theoretical impingement characteristics.

Lewis, James P.↗

Thermal stability of the surface layer and its relation to the dispersion of primary pollutants in St. Louis

The present investigation is concerned with the applicability of the vertical temperature gradient, DT, as a dispersion parameter for urban area sources. Data on DT were tabulated from temperature measurements at 5 m and 30 m obtained on 30 m towers at 12 stations. DT was obtained by subtracting the value at 5 m from that at 30 m. Positive DT values represent an inversion. Accuracy of the DT data is 0.1 K. Hourly measurements of DT along with concentrations of the primary pollutants, CO, NO, and total hydrocarbons (THC), are available from the 1976 RAPS data base for St. Louis. Linear correlations between a given pollutant species concentration and DT are developed from that data set. It could be confirmed that a strong positive correlation exists at night between the thermal stability of the lowest part of the boundary layer and the urban concentration of the primary pollutants CO, NO, and hydrocarbons.

Remsberg, E. E.↗

An analytical evaluation of the icing properties of several low and medium speed airfoils

A droplet trajectory computer code is used to analyze the water droplet impingement characteristics of several low and medium speed airfoils. The results are reported in terms of the airfoil maximum impingement efficiency, and limits of impingement. The airfoils are analyzed for angles of attack of -4 to 12 degrees, and modified inertia parameters of 0.01 to 1.0. These data are then used to evaluate the effect of airfoil geometry: leading edge radius, maximum thickness, maximum camber, and angle of attack on airfoil icing characteristics. Airfoils from the NACA four digit series to the new NASA NLF airfoils are considered. The strongest correlations were seen between airfoil leading edge radius and maximum local collection efficiency, thickness and total collection efficiency, and camber and the limits of impingement.

Bragg, M. B.↗