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At least 577 records · Page 32

Comparative investigation of Ga- and In-CHA in the non-oxidative ethane dehydrogenation reaction

Ga- and In-exchanged chabazite (CHA) zeolites with same Si/Al and metal/Al ratios were prepared via the incipient wetness impregnation method, were characterized using N 2 adsorption, electron microscopy, temperature-programed reactions and were evaluated for the ethane dehydrogenation reaction using flow microreactors. Ga-CHA has higher reaction rates and a lower activation energy of 107 kJ/mol than In-CHA (E a = 175 kJ/mol). Rietveld refinement of the X-ray powder diffraction pattern shows that the In + cation is predominantly located above the 6-ring of the CHA cage. It is proposed that the reaction proceeds through the alkyl mechanism based on stability of alkyl hydride intermediates as determined using DFT calculations. The oxidative addition of ethane to the metal shows much lower Gibbs free energy for Ga-CHA (+27.95 kJ/mol) vs In-CHA (+124.85 kJ/mol). Finally, these results indicate that oxidative addition may be the rate-limiting step of ethane dehydrogenation in these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluating technology upgrades as a complement to traditional bill assistance programs

State programs to improve energy affordability and reduce energy burden (the share of income spent on energy) could mitigate concerns about rising electricity prices. Many states offer bill assistance and rebates for weatherization and rooftop solar to income-qualifying households. Here, we analyse how these approaches may complement one another to improve energy affordability. Results illustrate trade offs between program costs and energy burden reduction, as well as between a program’s upfront and ongoing costs. Generally, the three strategies complement one another to improve energy affordability at lower net present cost than bill assistance alone, with varying effects across regions. Weatherization can reduce the solar installation capacity needed, and both together can reduce or eliminate ongoing reliance on bill assistance. Under full uptake among cost-effective households, fully rebated weatherization and solar rebated at $0.48/Watt, combined with bill assistance, yield the same modelled net present cost as bill assistance alone while reducing the share of low-income owner-occupied households with high energy burdens from 66% to 19%, compared with 34% under bill assistance alone. Absent tax credits, weatherization still reduces energy burden and bill assistance program costs, whereas solar may not be cost-competitive.

Forrester, Sydney P↗

Atomic Gaussian type orbitals and their Fourier transforms via the Rayleigh expansion

Gaussian type orbitals (GTOs), which are one of the types of exponential type orbitals (ETOs), are used usually as basis functions in the multi-center atomic and molecular integrals to better understand physical and chemical properties of matter. In the Fourier transform method (FTM), basis functions have not simplicity to make mathematical operations, but their Fourier transforms are easier to use. In this work, with the help of FTM, Rayleigh expansion and some properties of unnormalized GTOs, we present new mathematical results for the Fourier transform of GTOs in terms of Laguerre polynomials, hypergeometric and Whittaker functions. Physical and analytical properties of GTOs are discussed and some numerical results have been given in a table. Finally, we compare our mathematical results with the other known literature results by using a computer program and details of evaluation are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Radiation Protection Around High-intensity Laser Interactions with Solid Targets

Interaction of a high-intensity optical laser with a solid target can generate an ionizing radiation hazard in the form of high-energy "hot" electrons and bremsstrahlung, resulting from hot electrons interacting with the target itself and the surrounding target chamber. Previous studies have characterized the bremsstrahlung dose yields generated by such interactions for lasers in the range of 10 17 to 10 22 W cm -2 using particle-in-cell code EPOCH and Monte Carlo code FLUKA. Electron measurements based on a depth-dose approach are presented for two laser intensities, which indicate a Maxwellian distribution is more suitable for estimating the hot electrons' energy distribution. Also, transmission factors for the resulting bremsstrahlung for common shielding materials are calculated with FLUKA, and shielding tenth-value-layer thicknesses are also derived. In combination with the bremsstrahlung dose yield, the tenth-value layers provide radiation protection programs the means to evaluate radiation hazards and design shielding for high-intensity laser facilities.

61 RADIATION PROTECTION AND DOSIMETRY↗

A Pulse Generation Framework with Augmented Program-aware Basis Gates and Criticality Analysis

Near-term intermediate scale quantum (NISQ) de- vices are subject to considerable noise and short coherence time. Consequently, it is critical to minimize circuit execution latency. Traditionally, each basis gate of a transpiled circuit is decoded into a fixed episode of the device control pulses. Recently, people started to investigate merged pulse generation for customized gates through quantum optimal control (QOC). However, existing QOC approaches face the challenges of (i) restricted search space due to prohibitive compilation overhead; (ii) suboptimal end-to-end performance due to aggressive local optimization and falsely introduced dependency among the customized gates; (iii) inadequate adaptivity towards system calibration, which is critical for NISQ devices. In this work, we propose PAQOC, a novel QOC framework that can (i) automatically detect frequently encountered gate patterns in the logical circuit by modeling the problem as a subgraph mining process and reuse these patterns to enable much larger search space exploration (i.e., program aware); (ii) systemically construct customized gate-set based on the impact to the overall program latency (i.e., criticality-aware); and (iii) quickly adapt to system re-calibration thanks to the small-scale pattern-based gate generation (i.e., adaptivity-aware). PAQOC achieves a good tradeoff between circuit performance and compilation time, allowing fully automatic, single stop, ad- hoc customized pulse generation for more efficient execution of user programs on NISQ devices. Evaluations using fifteen applications show that PAQOC can achieve on average 1.95× speedup of the circuit latency and achieve on average 36.7% reduction in compilation overhead. With PAQOC, circuits can run faster with reduced noise, allowing deeper circuits to be tested within the coherence time of present NISQ platforms.

Chen, Yanhao↗

Conductor Specification and Validation for High-Luminosity LHC Quadrupole Magnets

The High Luminosity Upgrade of the Large Hadron Collider (HL-LHC) at CERN will replace the main ring inner triplet quadrupoles, identified by the acronym MQXF, adjacent to the main ring intersection regions. For the past decade, the U.S. LHC Accelerator R&D Program, LARP, has been evaluating conductors for the MQXFA prototypes, which are the outer magnets of the triplet. Recently, the requirements for MQXF magnets and cables have been published in P. Ferracin et al., IEEE Trans. Appl. Supercond., vol. 26, no. 4, 2016, Art. no.4000207, along with the final specification for Ti-alloyed Nb3Sn conductor determined jointly by CERN and LARP. This paper describes the rationale beneath the 0.85 mm diameter strand’s chief parameters, which are 108 or more sub-elements, a copper fraction not less than 52.4%, strand critical current at 4.22 K not less than 631 A at 12 T and 331 A at 15 T, and residual resistance ratio of not less than 150. This paper also compares the performance for ~100 km production lots of the five most recent LARP conductors to the first 163 km of strand made according to the HL-LHC specification. Two factors emerge as significant for optimizing performance and minimizing risk: a modest increase of the sub-element diameter from 50 to 55 μm, and a Nb:Sn molar ratio of 3.6 instead of 3.4. Furthermore, the statistics acquired so far give confidence that the present conductor can balance competing demands in production for the HL-LHC project.

43 PARTICLE ACCELERATORS↗

Vectorised Computation of Diverging Ensembles. In: ICPP 2018 Proceedings of the 47th International Conference on Parallel Processing, Article No. 51

Ensemble computations are used to evaluate a function for multiple inputs, for example in uncertainty quantification. Embedded ensemble computations perform several evaluations within the same program, often enabling a reduced overall runtime by exploiting vectorisation and parallelisation opportunities that are not present in individual ensemble members. This is challenging if members take different control flow paths. We present a source-to-source transformation that turns a given C program into an embedded ensemble program that computes members in a single-instruction-multiple-data fashion using OpenMP SIMD pragmas. We use techniques from whole-function vectorisation, achieving effective vectorisation for moderate amounts of branch divergence, particularly on processors with masked instructions such as recent Xeon Phi or Skylake processors with AVX-512.

Hückelheim, Jan↗

The North American Regional Climate Change Assessment Program: Overview of Phase I Results

The North American Regional Climate Change Assessment Program is an international effort designed to systematically investigate the uncertainties in regional scale projections of future climate and produce high resolution climate change scenarios using multiple regional climate models (RCMs) nested within atmosphere ocean general circulation models (AOGCMs) forced with the A2 SRES scenario, with a common domain covering the conterminous US, northern Mexico, and most of Canada. The program also includes an evaluation component (Phase I) wherein the participating RCMs are nested within 25 years of NCEP/DOE global reanalysis II. The grid spacing of the RCM simulations is 50 km.

Mearns, L O↗

Grant Peer Review: Improving Inter-Rater Reliability with Training

In this study, we developed and evaluated a brief training program for grant reviewers that aimed to increase inter-rater reliability, rating scale knowledge, and effort to read the grant review criteria. Enhancing reviewer training may improve the reliability and accuracy of research grant proposal scoring and funding recommendations. Seventy-five Public Health professors from U.S. research universities watched the training video we produced and assigned scores to the National Institutes of Health scoring criteria proposal summary descriptions. For both novice and experienced reviewers, the training video increased scoring accuracy (the percentage of scores that reflect the true rating scale values), inter-rater reliability, and the amount of time reading the review criteria compared to the no video condition. The increase in reliability for experienced reviewers is notable because it is commonly assumed that reviewers—especially those with experience—have good understanding of the grant review rating scale. Our findings suggest that both experienced and novice reviewers who had not received the type of training developed in this study may not have appropriate understanding of the definitions and meaning for each value of the rating scale and that experienced reviewers may overestimate their knowledge of the rating scale. Lastly, the results underscore the benefits of and need for specialized peer reviewer training.

99 GENERAL AND MISCELLANEOUS↗

Accident Performance of Light Water Reactor Cladding Materials

During a loss of coolant accident as experienced at Fukushima, inadequate cooling of the reactor core forces component temperatures ever higher where they must withstand aggressive chemical environments. Conventional zirconium cladding alloys will readily oxidize in the presence of water vapor at elevated temperatures, rapidly degrading and likely failing. A cladding breach removes the critical barrier between actinides and fission products and the coolant, greatly increasing the probability of the release of radioactivity in the event of a containment failure. These factors have driven renewed international interest in both study and improvement of the materials used in commercial light water reactors. Characterization of a candidate cladding alloy or oxidation mitigation technique requires understanding of both the oxidation kinetics and hydrogen production as a function of temperature and atmosphere conditions. Researchers in the MST division supported by the DOE-NE Fuel Cycle Research and Development program are working to evaluate and quantify these parameters across a wide range of proposed cladding materials. The primary instrument employed is a simultaneous thermal analyzer (STA) equipped with a specialized water vapor furnace capable of maintaining temperatures above 1200°C in a range of atmospheres and water vapor contents. The STA utilizes thermogravimetric analysis and a coupled mass spectrometer to measure in situ oxidation and hydrogen production of candidate materials. This capability is unprecedented in study of materials under consideration for reactor cladding use, and is currently being expanded to investigate proposed coating techniques as well as the effect of coating defects on corrosion resistance.

08 HYDROGEN↗

Technical Feasibility Assessment of LED Roadway Lighting on the Golden Gate Bridge

Subsequent to preliminary investigations by the Golden Gate Bridge Highway & Transportation District (GGB), in coordination with Pacific Gas & Electric (PG&E), the GATEWAY Demonstration program was asked to evaluate the technical feasibility of replacing existing roadway lighting on the bridge with products utilizing LED technology. GGB and PG&E also indicated interest in induction (i.e., electrodeless fluorescent) technology, since both light source types feature rated lifetimes significantly exceeding those of the existing high-pressure sodium (HPS) and low-pressure sodium (LPS) products. The goal of the study was to identify any solutions which would reduce energy use and maintenance without compromising the quantity or quality of existing illumination. Products used for roadway lighting on the historic bridge must be installed within the existing amber-lensed shoebox-style luminaire housings. It was determined that induction technology does not appear to represent a viable alternative for the roadway luminaires in this application; any energy savings would be attributable to a reduction in light levels. Although no suitable LED retrofit kits were identified for installation within existing luminaire housings, several complete LED luminaires were found to offer energy savings of 6-18%, suggesting custom LED retrofit kits could be developed to match or exceed the performance of the existing shoeboxes. Luminaires utilizing ceramic metal halide (CMH) were also evaluated, and some were found to offer 28% energy savings, but these products might actually increase maintenance due to the shorter rated lamp life. Plasma technology was evaluated, as well, but no suitable products were identified. Analysis provided in this report was completed in May 2012. Although LED technologies are expected to become increasingly viable over time, and product mock-ups may reveal near-term solutions, some options not currently considered by GGB may ultimately merit evaluation. For example, it would be preferable in terms of performance to simply replace existing luminaires (some of which may already be nearing end of life) with fully-integrated LED or CMH luminaires rather than replacing internal components. Among other benefits, this would allow reputable manufacturers to offer standard warranties for their products. Similarly, the amber lenses might be reformulated such that they do not render white light sources in a greenish cast, thereby allowing the use of off-the-shelf LED or CMH products. Last, it should be noted that the existing amber-lensed shoeboxes bear no daytime resemblance to the LPS luminaires originally used to light the roadway.

ceramic metal halide↗

Land and Water Use, CO2 Emissions, and Worker Radiological Exposure Factors for the Nuclear Fuel Cycle

The Department of Energy Office of Nuclear Energy’s Fuel Cycle Technologies program is preparing to evaluate several proposed nuclear fuel cycle options to help guide and prioritize Fuel Cycle Technology research and development. Metrics are being developed to assess performance against nine evaluation criteria that will be used to assess relevant impacts resulting from all phases of the fuel cycle. This report focuses on four specific environmental metrics. • land use • water use • CO2 emissions • radiological Dose to workers Impacts associated with the processes in the front-end of the nuclear fuel cycle, mining through enrichment and deconversion of DUF6 are summarized from FCRD-FCO-2012-000124, Revision 1. Impact estimates are developed within this report for the remaining phases of the nuclear fuel cycle. These phases include fuel fabrication, reactor construction and operations, fuel reprocessing, and storage, transport, and disposal of associated used fuel and radioactive wastes. Impact estimates for each of the phases of the nuclear fuel cycle are given as impact factors normalized per unit process throughput or output. These impact factors can then be re-scaled against the appropriate mass flows to provide estimates for a wide range of potential fuel cycles. A companion report, FCRD-FCO-2013-000213, applies the impact factors to estimate and provide a comparative evaluation of 40 fuel cycles under consideration relative to these four environmental metrics.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Annual Energy Review 2011

The Annual Energy Review (AER) is the U.S. Energy Information Administration's (EIA) primary report of annual historical energy statistics. For many series, data begin with the year 1949. Included are statistics on total energy production, consumption, trade, and energy prices; overviews of petroleum, natural gas, coal, electricity, nuclear energy, and renewable energy; financial and environment indicators; and data unit conversions. Publication of this report is required under Public Law 95–91 (Department of Energy Organization Act), Section 205(c), and is in keeping with responsibilities given to the EIA under Section 205(a)(2), which states: “The Administrator shall be responsible for carrying out a central, comprehensive, and unified energy data and information program which will collect, evaluate, assemble, analyze, and disseminate data and information....” The AER is intended for use by Members of Congress, Federal and State agencies, energy analysts, and the general public. EIA welcomes suggestions from readers regarding the content of the AER and other EIA publications.

Fichman, Barbara T.↗

CALiPER Summary of Results: Round 13 of Product Testing

The Department of Energy (DOE) Commercially Available Light-Emitting Diode (LED) Product Evaluation and Reporting (CALiPER) Program has been purchasing and testing general illumination solid-state lighting (SSL) products since 2006.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Technical Feasibility Assessment of LED Roadway Lighting on the Golden Gate Bridge

Subsequent to preliminary investigations by the Golden Gate Bridge Highway & Transportation District (GGB), in coordination with Pacific Gas & Electric (PG&E), the GATEWAY Demonstration program was asked to evaluate the technical feasibility of replacing existing roadway lighting on the bridge with products utilizing LED technology. GGB and PG&E also indicated interest in induction (i.e., electrodeless fluorescent) technology, since both light source types feature rated lifetimes significantly exceeding those of the existing high-pressure sodium (HPS) and low-pressure sodium (LPS) products. The goal of the study was to identify any solutions which would reduce energy use and maintenance without compromising the quantity or quality of existing illumination. Products used for roadway lighting on the historic bridge must be installed within the existing amber-lensed shoebox-style luminaire housings. It was determined that induction technology does not appear to represent a viable alternative for the roadway luminaires in this application; any energy savings would be attributable to a reduction in light levels. Although no suitable LED retrofit kits were identified for installation within existing luminaire housings, several complete LED luminaires were found to offer energy savings of 6-18%, suggesting custom LED retrofit kits could be developed to match or exceed the performance of the existing shoeboxes. Luminaires utilizing ceramic metal halide (CMH) were also evaluated, and some were found to offer 28% energy savings, but these products might actually increase maintenance due to the shorter rated lamp life. Plasma technology was evaluated, as well, but no suitable products were identified. Analysis provided in this report was completed in May 2012. Although LED technologies are expected to become increasingly viable over time, and product mock-ups may reveal near-term solutions, some options not currently considered by GGB may ultimately merit evaluation. For example, it would be preferable in terms of performance to simply replace existing luminaires (some of which may already be nearing end of life) with fully-integrated LED or CMH luminaires rather than replacing internal components. Among other benefits, this would allow reputable manufacturers to offer standard warranties for their products. Similarly, the amber lenses might be reformulated such that they do not render white light sources in a greenish cast, thereby allowing the use of off-the-shelf LED or CMH products. Last, it should be noted that the existing amber-lensed shoeboxes bear no daytime resemblance to the LPS luminaires originally used to light the roadway.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

RELAP5-3D Developmental Assessment. Comparison of Version 4.3.4i on Linux and Windows

Figures have been generated comparing the parameters used in the developmental assessment of the RELAP5-3D code, version 4.3i, compiled on Linux and Windows platforms. The figures, which are the same as those used in Volume III of the RELAP5-3D code manual, compare calculations using the semi-implicit solution scheme with available experiment data. These figures provide a quick, visual indication of how the code predictions differ between the Linux and Windows versions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗