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At least 37 records · Page 2

An ab initio benchmark study of the H + CO --> HCO reaction

The H + CO --> HCO reaction has been characterized with correlation consistent basis sets at five levels of theory in order to benchmark the sensitivities of the barrier height and reaction ergicity to the one-electron and n-electron expansions of the electronic wave function. Single and multireference methods are compared and contrasted. The coupled cluster method RCCSD(T) was found to be in very good agreement with Davidson-corrected internally-contracted multireference configuration interaction (MRCI+Q). Second-order Moller-Plesset perturbation theory (MP2) was also employed. The estimated complete basis set (CBS) limits for the barrier height (in kcal/mol) for the five methods, including harmonic zero-point energy corrections, are MP2, 4.66; RCCSD, 4.78; RCCSD(T), 4.15; MRCI, 5.10; and MRCI+Q, 4.07. Similarly, the estimated CBS limits for the ergicity of the reaction are: MP2, -17.99; RCCSD, -13.34; RCCSD(T), -13.79; MRCI, -11.46; and MRCI+Q, -13.70. Additional basis set explorations for the RCCSD(T) method demonstrate that aug-cc-pVTZ sets, even with some functions removed, are sufficient to reproduce the CBS limits to within 0.1-0.3 kcal/mol.

NASA Discipline Exobiology↗

Controlling the operating speed of stages of an asynchronous pipeline

An asynchronous pipeline includes a first stage and one or more second stages. A controller provides control signals to the first stage to indicate a modification to an operating speed of the first stage. The modification is determined based on a comparison of a completion status of the first stage to one or more completion statuses of the one or more second stages. In some cases, the controller provides control signals indicating modifications to an operating voltage applied to the first stage and a drive strength of a buffer in the first stage. Modules can be used to determine the completion statuses of the first stage and the one or more second stages based on the monitored output signals generated by the stages, output signals from replica critical paths associated with the stages, or a lookup table that indicates estimated completion times.

97 MATHEMATICS AND COMPUTING↗

Controlling the operating speed of stages of an asynchronous pipeline

An asynchronous pipeline includes a first stage and one or more second stages. A controller provides control signals to the first stage to indicate a modification to an operating speed of the first stage. The modification is determined based on a comparison of a completion status of the first stage to one or more completion statuses of the one or more second stages. In some cases, the controller provides control signals indicating modifications to an operating voltage applied to the first stage and a drive strength of a buffer in the first stage. Modules can be used to determine the completion statuses of the first stage and the one or more second stages based on the monitored output signals generated by the stages, output signals from replica critical paths associated with the stages, or a lookup table that indicates estimated completion times.

Sadowski, Greg↗

ARIES Oxide Production Program Monthly Report – April 2014

A summary of the accomplishments, milestones, financial summary, project performance and issues facing the Oxide Production Program for the end of April 2014 is presented in this Executive Summary. PF-4 and ARIES operations remain paused in order to resolve issues and perform an extent-of-condition review for Criticality Safety and Conduct of Operations. On April 28th, Jeff Yarbrough issued a memorandum updating status on the “pause” of PF-4 programmatic operations. He reported that 150 of the procedures that control programmatic operations in PF-4 have successfully resumed. These 150 procedures represent about ½ of the total that will enable us to meet FY14 programmatic commitments. No formal letter of direction will be provided to LANS via the NNSA Field Office contracting officer to address the direction relative to shipments, analytical chemistry sampling and guidance for financial adjustments in FY14 and FY15. LANS will provide a revised plan based on the funding profile included in the President’s Budget Request for the remainder of FY14 and FY15 to include revised FY14 milestones and proposed FY15 milestones. The ARIES Pit Cutter project met the NNSA milestone (Complete Design of Simple Pit Disassembly Equipment [ARIES Pit Cutter] – Due 8/15/14) by completing the fabrication design on 4/3/14, well in advance of the 8/15/14 due date. The project team has started procurement of long-lead items in preparation of the prototype fabrication and cold testing. The fabrication is scheduled to complete in FY14 and the cold testing will begin in FY14 and complete in early FY15. LANL and PNNL met on April 14 to discuss the path forward for PNNL criticality support to the program. The consensus was that PNNL resources can be effectively applied to the generation of detailed CSEs to support the program independent of the current ESS strategy. FY15 program planning is underway. The team is working on planning/drafting the work packages and developing the schedule under the assumption that operations will begin October 1, 2014. A planning schedule has been finalized and the team is meeting regularly to discuss details at the work package and WBS levels. The FY15 PMP is also in the process of being updated. The goal is to have all the drafts reviewed/approved and finalized prior to the start of the FY. MQ personnel have completed ADPSM Management Assessment: Evaluate Quality Roles and Responsibility Agreements between ADPSM and LANL Technical Support Organizations (PFITS 2011-1943). Two findings and four opportunities for improvement were reported. The robotic lathe controller upgrade has entered the construction phase of the project. The controller cabling IWD pre-job meeting was completed. The initial robotic lathe functional test was completed. The existing controller power supply disconnect is scheduled for early May. The NDA Cage project team received notification on 3/28/14 to restart the NDA cage project. Since then the team have been busy with activities that include assigning a planner, getting the construction work package ready for construction and getting the USQ completed. The electrical services installation for the new welding skid for the Inner Can Welder was completed. A gas bottle rack, used to support welding operations, will be installed in early May. The Outer Can Welder design is complete and the IWD is in development to execute construction. Installation materials have been ordered. Work continues on the MD-2 preliminary design. The project engineer is performing a technical evaluation of the Project Management Plan that was submitted by the design agent in response to the LANL Request for Proposal. If all requirements have been captured, LANL procurement will develop a contract and give the design agent notice to proceed on the preliminary design. Estimated completion is scheduled for September 2014. The design for the TA-55 Bldg. 314 warehouse was issued at 90% complete and has begun the last review process. A constructability review is scheduled for early May. The Project Manager has been working with the LANL estimating group to get the class 3 estimate for review. The Oxide Production Cage Upgrade project has kicked-off efforts on the 30% design. Requirements documentation has been drafted. The floor space was walked-down with other project managers and stakeholders and the boundaries were agreed upon.

ARIES↗

FRONTIER FIELDS: HIGH-REDSHIFT PREDICTIONS AND EARLY RESULTS

The Frontier Fields program is obtaining deep Hubble and Spitzer Space Telescope images of new ''blank'' fields and nearby fields gravitationally lensed by massive galaxy clusters. The Hubble images of the lensed fields are revealing nJy sources (AB mag > 31), the faintest galaxies yet observed. The full program will transform our understanding of galaxy evolution in the first 600 million years (z > 9). Previous programs have yielded a dozen or so z > 9 candidates, including perhaps fewer than expected in the Ultra Deep Field and more than expected in shallower Hubble images. In this paper, we present high-redshift (z > 6) number count predictions for the Frontier Fields and candidates in three of the first Hubble images. We show the full Frontier Fields program may yield up to ∼70 z > 9 candidates (∼6 per field). We base this estimate on an extrapolation of luminosity functions observed between 4 < z < 8 and gravitational lensing models submitted by the community. However, in the first two deep infrared Hubble images obtained to date, we find z ∼ 8 candidates but no strong candidates at z > 9. We defer quantitative analysis of the z > 9 deficit (including detection completeness estimates) to future work including additional data. At these redshifts, cosmic variance (field-to-field variation) is expected to be significant (greater than ±50%) and include clustering of early galaxies formed in overdensities. The full Frontier Fields program will significantly mitigate this uncertainty by observing six independent sightlines each with a lensing cluster and nearby blank field.

79 ASTRONOMY AND ASTROPHYSICS↗

Multi-area parameter error identification for large power systems

Power grid model parameters may contain errors due to various reasons. Detecting and correcting parameter errors typically requires significant computational effort due to the size and complexity of the parameter database. While the normalized Lagrange multiplier (NLM) method can effectively detect, identify and correct parameter errors, its computational burden could rapidly grow with increasing system size. This paper addresses this issue by proposing a multi-area parameter error identification method. Each area has its own outlier detection tool for detecting the incorrect parameters and measurements within the area. On the other hand, due to the reduced redundancy at area boundaries, parameter errors on branches incident to boundary buses may not be detected. Such errors are subsequently detected by a coordination level estimator completing the system-wide parameter detection procedure. In conclusion, performance of the developed method is demonstrated using the IEEE 118-bus and 2000-bus Texas synthetic systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Framework for Estimating Global River Discharge From the Surface Water and Ocean Topography Satellite Mission

The Surface Water and Ocean Topography (SWOT) mission will vastly expand measurements of global rivers, providing critical new data sets for both gaged and ungaged basins. SWOT discharge products (available approximately 1 year after launch) will provide discharge for all river that reaches wider than 100 m. In this paper, we describe how SWOT discharge produced and archived by the US and French space agencies will be computed from measurements of river water surface elevation, width, and slope and ancillary data, along with expected discharge accuracy. We present for the first time a complete estimate of the SWOT discharge uncertainty budget, with separate terms for random (standard error) and systematic (bias) uncertainty components in river discharge time series. We expect that discharge uncertainty will be less than 30% for two-thirds of global reaches and will be dominated by bias. Separate river discharge estimates will combine both SWOT and in situ data; these “gage-constrained” discharge estimates can be expected to have lower systematic uncertainty. Temporal variations in river discharge time series will be dominated by random error and are expected to be estimated within 15% for nearly all reaches, allowing accurate inference of event flow dynamics globally, including in ungaged basins. We believe this level of accuracy lays the groundwork for SWOT to enable breakthroughs in global hydrologic science.

Michael Durand↗

On Lidar Sounding of the Atmosphere to Estimate Static and Dynamic Characteristics of Aerosol Inhomogeneities

1. A possible application of intensity fluctuations of a pulse light signal reflected by atmospheric aerosols is analyzed by the correlation method to evaluate static (medium sizes, shape) and dynamic (speed and direction of movement, lifetime) characteristics of aerosol inhomogeneities. The aerosol inhomogeneities are assumed to be expanded, pressed, disintegrated and originated constantly in accordance with random laws, the set of inhomogeneities as a whole traveling together with air masses and having predominant movement in wind direction. It is shown that the characteristics of aerosol inhomogeneities considered can be expressed by the coefficients of the correlation function expansion of the reflected signal fluctuation intensity in Tailor series. 2/ Correlation systems for evaluating static and dynamic characteristics of driving objects can be divided into two types according to the kind and quantity of used information: the systems with coordinates of the information removal "points" to be fixed in space, and the systems with a parallel simultaneous information removal at discrete moments of time. The systems for determination of wind direction considered in are the examples of the first type system. However, the operating information removal for two points is insufficient to estimate completely static and dynamic characteristics of inhomogenities, their quantity ought to be increased up to three of them for two-dimensional problem and up to four of them for three-dimensional problem as it is usually done in the ionospheric studies. The second type systems are used for the investigation of a medium shape and speed of the clouds according to photographs made from satellites. These systems are also used for solution of navigation problems. The use of optical quantum generators with a scanning beam is seen to increase greatly the working information removal in comparison with the first type systems. Nevertheless, scanning rate is not sufficient sometimes in order· to consider a general picture of aerosol inhomogeneities to be stationary. In this connection the use of the systems of second type treatment becomes a matter of essential difficulty. 3. Aerosol inhomogeneities simulation has been carried out on the basis of the digital computer experiments with the aim of estimating static and dynamic characteristics of inhomogeneities by an optical beam in the atmosphere at different scanning procedures. The dependence of determination accuracy of these characteristics on the type of chosen laws of aerosol particle distribution in the atmosphere, the parameters of inhomogeneities geometry, their speed and the law of scanning have been obtained.

Zuev, V. E.↗

THE SDSS-III BARYON OSCILLATION SPECTROSCOPIC SURVEY: THE QUASAR LUMINOSITY FUNCTION FROM DATA RELEASE NINE

We present a new measurement of the optical quasar luminosity function (QLF), using data from the Sloan Digital Sky Survey-III: Baryon Oscillation Spectroscopic Survey (SDSS-III: BOSS). From the SDSS-III Data Release Nine, a uniform sample of 22,301 i {approx}< 21.8 quasars are selected over an area of 2236 deg{sup 2}, with confirmed spectroscopic redshifts between 2.2 < z < 3.5, filling in a key part of the luminosity-redshift plane for optical quasar studies. The completeness of the survey is derived through simulated quasar photometry, and this completeness estimate is checked using a sample of quasars selected by their photometric variability within the BOSS footprint. We investigate the level of systematics associated with our quasar sample using the simulations, in the process generating color-redshift relations and a new quasar K-correction. We probe the faint end of the QLF to M{sub i} (z = 2.2) Almost-Equal-To -24.5 and see a clear break in the QLF at all redshifts up to z = 3.5. A log-linear relation (in log {Phi}* - M*) for a luminosity evolution and density evolution model is found to adequately describe our data within the range 2.2 < z < 3.5; across this interval the break luminosity increases by a factor of {approx}2.6 while {Phi}* declines by a factor of {approx}8. At z {approx}< 2.2 our data are reasonably well fit by a pure luminosity evolution model, and only a weak signature of ''AGN downsizing'' is seen, in line with recent studies of the hard X-ray luminosity function. We compare our measured QLF to a number of theoretical models and find that models making a variety of assumptions about quasar triggering and halo occupation can fit our data over a wide range of redshifts and luminosities.

79 ASTRONOMY AND ASTROPHYSICS↗

Angular systematics-free cosmological analysis of galaxy clustering in configuration space

ABSTRACT Galaxy redshift surveys are subject to incompleteness and inhomogeneous sampling due to the various constraints inherent to spectroscopic observations. This can introduce systematic errors on the summary statistics of interest, which need to be mitigated in cosmological analysis to achieve high accuracy. Standard practices involve applying weighting schemes based on completeness estimates across the survey footprint, possibly supplemented with additional weighting schemes accounting for density-dependent effects. In this work, we concentrate on pure angular systematics and describe an alternative approach consisting in analysing the galaxy two-point correlation function where angular modes are nulled. By construction, this procedure removes all possible known and unknown sources of angular observational systematics, but also part of the cosmological signal. We use a modified Landy–Szalay estimator for the two-point correlation function that relies on an additional random catalogue where angular positions are randomly drawn from the galaxy catalogue, and provide an analytical model to describe this modified statistic. We test the model by performing an analysis of the full anisotropic clustering in mock catalogues of luminous red and emission-line galaxies at 0.43 < z < 1.1. We find that the model fully accounts for the modified correlation function in redshift space, without introducing new nuisance parameters. The derived cosmological parameters from the analysis of baryon acoustic oscillations and redshift-space distortions display slightly larger statistical uncertainties, mostly for the growth rate of structure parameter fσ8 that exhibits a $50{{\ \rm per\ cent}}$ statistical error increase, but free from angular systematic error.

79 ASTRONOMY AND ASTROPHYSICS↗

Kaon mixing beyond the standard model with physical masses

We present nonperturbative results for beyond the standard model kaon mixing matrix elements in the isospin symmetric limit ( m u = m d ) of QCD, including a complete estimate of all dominant sources of systematic error. Our results are obtained from numerical simulations of lattice QCD with N f = 2 + 1 flavors of dynamical domain wall fermions. For the first time, these quantities are simulated directly at the physical pion mass m π ∼ 139 MeV for two different lattice spacings. We include data at three lattice spacings in the range a = 0.11 – 0.07 fm and with pion masses ranging from the physical value up to 450 MeV. Compared to our earlier work, we have added both direct calculations at physical quark masses and a third lattice spacing making the removal of discretization effects significantly more precise and eliminating the need for any significant mass extrapolation beyond the range of simulated data. We renormalize the lattice operators nonperturbatively using RI-SMOM off-shell schemes. These schemes eliminate the need to model and subtract nonperturbative pion poles that arises in the RI-MOM scheme and, since the calculations are performed with domain wall fermions, the unphysical mixing between chirality sectors is suppressed. Our results for the bag parameters in the MS ¯ scheme at 3 GeV are B K ≡ B 1 = 0.5240 ( 17 ) ( 54 ) , B 2 = 0.4794 ( 25 ) ( 35 ) , B 3 = 0.746 ( 13 ) ( 17 ) , B 4 = 0.897 ( 02 ) ( 10 ) and B 5 = 0.6882 ( 78 ) ( 94 ) , where the first error is from lattice uncertainties and the second is the uncertainty due to the perturbative matching to MS ¯ . Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Enrichment of Root Endophytic Bacteria from Populus deltoides and Single-Cell-Genomics Analysis

ABSTRACT Bacterial endophytes that colonize Populus trees contribute to nutrient acquisition, prime immunity responses, and directly or indirectly increase both above- and below-ground biomasses. Endophytes are embedded within plant material, so physical separation and isolation are difficult tasks. Application of culture-independent methods, such as metagenome or bacterial transcriptome sequencing, has been limited due to the predominance of DNA from the plant biomass. Here, we describe a modified differential and density gradient centrifugation-based protocol for the separation of endophytic bacteria from Populus roots. This protocol achieved substantial reduction in contaminating plant DNA, allowed enrichment of endophytic bacteria away from the plant material, and enabled single-cell genomics analysis. Four single-cell genomes were selected for whole-genome amplification based on their rarity in the microbiome (potentially uncultured taxa) as well as their inferred abilities to form associations with plants. Bioinformatics analyses, including assembly, contamination removal, and completeness estimation, were performed to obtain single-amplified genomes (SAGs) of organisms from the phyla Armatimonadetes , Verrucomicrobia , and Planctomycetes , which were unrepresented in our previous cultivation efforts. Comparative genomic analysis revealed unique characteristics of each SAG that could facilitate future cultivation efforts for these bacteria. IMPORTANCE Plant roots harbor a diverse collection of microbes that live within host tissues. To gain a comprehensive understanding of microbial adaptations to this endophytic lifestyle from strains that cannot be cultivated, it is necessary to separate bacterial cells from the predominance of plant tissue. This study provides a valuable approach for the separation and isolation of endophytic bacteria from plant root tissue. Isolated live bacteria provide material for microbiome sequencing, single-cell genomics, and analyses of genomes of uncultured bacteria to provide genomics information that will facilitate future cultivation attempts.

54 ENVIRONMENTAL SCIENCES↗

Acciona Solar Technology Performance Evaluation: Cooperative Research and Development Final Report, CRADA Number CRD-10-384

Under this agreement, NREL will work with Acciona to conduct joint testing, evaluation, and data collection related to Acciona's solar technologies and systems. This work includes, but is not limited to, testing and evaluation of solar component and system technologies, data collection and monitoring, performance evaluation, reliability testing, and analysis. This work will be conducted at Acciona's Nevada Solar One (NSO) power plant and NREL test facilities. Specific projects will be developed on a task order basis. Each task order will identify the name of the project and deliverables to be produced under the task order. Each task order will delineate an estimated completion date based on a project's schedule. Any reports developed under this CRADA must be reviewed by both NREL and Acciona and approved by each organization prior to publication of results or documents.

14 SOLAR ENERGY↗

BOILER Experiment Material Characterization and HFIR Irradiation Status

Pre-oxidized alumina-forming austenitic (AFA) steels have been previously identified as candidate alloys for structural components in lead-cooled fast reactors (LFRs). They offer compatibility with liquid Pb, high-temperature strength, formability, and cost advantages. However, variations in Ni content can affect the formation and stability of the Al 2 O 3 layer, influencing compatibility with liquid Pb. The effect of fast neutron irradiation on Al 2 O 3 stability in liquid Pb also requires evaluation. Therefore, understanding how Ni concentrations impacts pre-oxidized AFAs under combined extremes of irradiation and liquid metal corrosion is essential before safe deployment. The Behavior Of In-situ Lead Environments & Radiation (BOILER) experiment was developed under the Nuclear Science User Facilities (NSUF) program to integrate alloy development, irradiation experiment design, and irradiated materials characterization. In this effort, two pre-oxidized AFA steels with 20 wt% and 25 wt% Ni, hereinafter referred to as GA05-20Ni and GA05-25Ni, were produced. An irradiation experiment was then planned for the High Flux Isotope Reactor (HFIR), designed for passive heating of irradiation rabbit capsules from gamma heating in the HFIR flux trap (1 × 10 15 n/cm 2 ·s, >0.1 MeV). This heating melts Pb and exposes the pre-oxidized AFA steel specimens to nominal temperatures of 400 and 650°C. Detailed neutronics and thermal analyses were performed, though based on nominal design rather than as-built, as-irradiated conditions. This report documents further characterization of the pre-oxidized AFAs in the unirradiated condition. It also includes as-built thermal analysis using measured component dimensions, updated fill gas concentrations, and actual HFIR irradiation positions. Finally, the report summarizes capsule fabrication, current irradiation status, projected completion, estimated damage accumulation, and initial plans for post-irradiation examination plans.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A Southern Photometric Quasar Catalog from the Dark Energy Survey Data Release 2

We present a catalog of 1.4 million photometrically selected quasar candidates in the southern hemisphere over the ~5000 deg 2 Dark Energy Survey (DES) wide survey area. We combine optical photometry from the DES second data release (DR2) with available near-infrared (NIR) and the all-sky unWISE mid-infrared photometry in the selection. We build models of quasars, galaxies, and stars with multivariate skew-t distributions in the multidimensional space of relative fluxes as functions of redshift (or color for stars) and magnitude. Our selection algorithm assigns probabilities for quasars, galaxies, and stars and simultaneously calculates photometric redshifts (photo-z) for quasar and galaxy candidates. Benchmarking on spectroscopically confirmed objects, we successfully classify (with photometry) 94.7% of quasars, 99.3% of galaxies, and 96.3% of stars when all IR bands (NIR YJHK and WISE W1W2) are available. The classification and photo-z regression success rates decrease when fewer bands are available. Our quasar (galaxy) photo-z quality, defined as the fraction of objects with the difference between the photo-z z p and the spectroscopic redshift z s , |Δz| ≡ |z s - z p |/(1 + z s ) ≤ 0.1, is 92.2% (98.1%) when all IR bands are available, decreasing to 72.2% (90.0%) using optical DES data only. Our photometric quasar catalog achieves an estimated completeness of 89% and purity of 79% at r < 21.5 (0.68 million quasar candidates), with reduced completeness and purity at 21.5 < r ≲ 24. Among the 1.4 million quasar candidates, 87,857 have existing spectra, and 84,978 (96.7%) of them are spectroscopically confirmed quasars. Finally, we provide quasar, galaxy, and star probabilities for all (0.69 billion) photometric sources in the DES DR2 coadded photometric catalog.

79 ASTRONOMY AND ASTROPHYSICS↗

Simulation results for the Viterbi decoding algorithm

Concepts involved in determining the performance of coded digital communications systems are introduced. The basic concepts of convolutional encoding and decoding are summarized, and hardware implementations of sequential and maximum likelihood decoders are described briefly. Results of parametric studies of the Viterbi decoding algorithm are summarized. Bit error probability is chosen as the measure of performance and is calculated, by using digital computer simulations, for various encoder and decoder parameters. Results are presented for code rates of one-half and one-third, for constraint lengths of 4 to 8, for both hard-decision and soft-decision bit detectors, and for several important systematic and nonsystematic codes. The effect of decoder block length on bit error rate also is considered, so that a more complete estimate of the relationship between performance and decoder complexity can be made.

Batson, B. H.↗

Ecology and thermal inactivation of microbes in and on interplanetary space vehicle components

The experiments conducted to determine the heat resistance of Bacillus megaterium ATCC 6458 at 90 and 100 C were completed. Estimates from replicate experiments at eight percent relative humidities (less than 0.001 to 100% RH) for each temperature were computed. A Bacillus cereus strain with high heat resistance was cultured and the resistance determined in phosphate buffer (D sub 121.1 = 2.16 min and z = 8.7 C). The profile of the dry heat resistance of B. megaterium is summarized and the most resistant condition to the three spores (Bacillus subtilis var. niger, ATCC 29669, and Bacillus stearothermophilus, strain 1518) is compared.

Reyes, A. L.↗