Spin multiplicities
The number of times spin s appears in the Kronecker product of n spin j representations is computed, and the large n asymptotic behavior of the result is obtained. Applications are briefly sketched.
group representations↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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High-Performance Sparse Matrix-Matrix Products on Intel KNL and Multicore Architectures
Sparse matrix-matrix multiplication (SpGEMM) is a computational primitive that is vastly used in areas ranging from traditional numerical applications to recent big data analysis and machine learning. While many SpGEMM algorithms have been proposed, hardware specific optimizations for multi- and many-core processors are lacking and a detailed analysis of their performance under various use cases and matrices is not available. We firstly identify and mitigate multiple bottlenecks with memory management and thread scheduling on Intel Xeon Phi (Knights Landing or KNL). Specifically targeting multi- and many-core processors, we develop a hash-table-based algorithm and optimize a heap-based shared-memory SpGEMM algorithm. We investigate their performance together with other publicly available codes. Different from the literature, our evaluation also includes use cases that are representative of real graph algorithms, such as multi-source breadth-first search or triangle counting. Our hash-table and heap-based algorithms are showing significant speedups from libraries in the majority of the cases while different algorithms dominate the other scenarios with different matrix size, sparsity, compression factor and operation type. We wrap up in-depth evaluation results and make a recipe to give the best SpGEMM algorithm for target scenario. In conclusion, a critical finding is that hash-table-based SpGEMM gets a significant performance boost if the nonzeros are not required to be sorted within each row of the output matrix.
97 MATHEMATICS AND COMPUTING↗
A Search for Higgs Bosons in Final States with Multiple Tau Leptons at the D0~Experiment
Two searches for the production of Higgs bosons decaying into $\tau$ and $\mu$ leptons, using data collected with the D\O\ detector at the Fermilab Tevatron $p\bar{p}$ collider, are presented. A search for the pair production of doubly charged Higgs bosons in the process $q\bar{q} \to \Hpp\Hmm$, where $\Hpm$ decays to $\tau\tau$, $\mu\mu$ or $\tau\mu$ lepton pairs, with an integrated luminosity of up to $L= 7.0$~fb$^{-1}$, is presented. No significant excess of data over the expected SM background is observed and the results are used to set $95\%$ C.L. limits on the pair production cross section of doubly charged Higgs bosons in the range 90 $<$ $M_{H^{\pm\pm}}$ $<$ 200 GeV. A second search for the production of the Standard Model Higgs boson in the final state $\tau\tau\mu+X$ is presented, using an integrated luminosity of $L=8.6$ fb$^{-1}$. Again no significant excess of data is observed over the background expectation and $95\%$ C.L. limits are set on the observed cross section relative to the Standard Model prediction, in the range 100 $<$ $M_{H}$ $<$ 200 GeV.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
The model of independent particles emission in the multiparticle production theory
The possibility to obtain the degree dependence of average multiplicity from energy, KNO-scaling and the effect of leading is shown, taking into account the law of energy preservation.
Uchaikin, V. V.↗
A Safe Cooperative Framework for Atmospheric Science Missions with Multiple Heterogeneous UAS using Piecewise Bezier Curves
Autonomous operation of UAS holds promise for greater productivity of atmospheric science missions. However, several challenges need to be overcome before such missions can be made autonomous. This paper presents a framework for safe autonomous operations of multiple vehicles, particularly suited for atmospheric science missions. The framework revolves around the use of piecewise Bezier curves for trajectory representation, which in conjunction with path-following and time-coordination algorithms, allows for safe coordinated operations of multiple vehicles.
Mehdi, S. Bilal↗
VEG-04: The Effects of Light Quality on Mizuna Mustard Growth, Nutritional Composition, and Organoleptic Acceptability for a Space Diet
Growing fresh, nutritious, palatable produce for crew consumption during spaceflight may provide health-promoting, bioavailable nutrients and enhance the astronaut dietary experience as we move toward longer-duration missions. Tending plants may also serve as a countermeasure for crew psychological stresses associated with spaceflight. However, requirements to support consistent growth of a variety of high quality, nutritious crops under spaceflight environmental conditions remain unclear. This study explores the potential to grow crops for consumption on the International Space Station (ISS) using the Veggie vegetable-production system. VEG-04A and B were two flight tests conducted in 2019 with the leafy green crop mizuna mustard. Mizuna was grown in two Veggie chambers simultaneously, with the chambers set to different red-to-blue light formulations; one Veggie was programmed as "red-rich" and the second as "blue-rich." Light quality is known to impact plant growth, nutrition, microbiology, and organoleptic characteristics on Earth, and the Veggie flight tests examined how these impacts might differ in microgravity. VEG-04A, a 35-day growth test with a single harvest, was initiated in June and harvested in July 2019. At harvest, the astronauts froze half of the edible plant tissue to return to Earth and weighed the remaining half using the Mass Measurement Device (MMD). Weighed samples were then cleaned with produce-sanitizing wipes, and consenting crew members participated in organoleptic evaluation of the fresh produce. The remaining sanitized produce was available for crew consumption as desired. Frozen flight samples were returned at the end of August for microbial and chemical analyses to assess food safety and nutritional quality. No pathogens were detected on VEG-04A flight or ground control samples. On average, bacterial and fungal counts were significantly lower on ground control samples than flight samples. VEG-04B, a 56-day test with multiple harvests from the same plants, assessed sustained productivity. VEG-04B was initiated in October 2019 with three harvests at four, six, and eight weeks after initiation. Challenges with the watering program occurred early during VEG-04A, and several plants failed to survive in both the flight and ground control operations. Thus, prior to VEG-04B, an extra test was conducted to tailor water timing and volumes. This test determined that mizuna grew best if the wicks inside the plant pillow were allowed to dry after plants germinated, reducing persistent water around the stem. The wicks changed from being a conduit for water out of the plant pillow to being a conduit for air into the root zone. This test allowed a fine tuning of methods for VEG-04B. It is our hope that these tests on ISS will help mitigate the risk of an inadequate food supply for long-duration missions by adding fresh vegetables to the crew diet. This research was co-funded by the Human Research Program and Space Biology (MTL#1075) in the ILSRA 2015 NRA call.
Massa, Gioia D.↗
Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen
Understanding how to control the movement of protons and electrons is crucial to the design of fast, efficient electrocatalysts for hydrogen production and oxidation based on earth-abundant metals. Our work seeks to elucidate fundamental questions about proton movement. We have demonstrated that incorporating a pendant amine functioning as a proton relay in the second coordination sphere of a metal complex helps proton mobility, resulting in faster and more energy efficient catalysts. Proton transfer reactions are often rate limiting, and are influenced by several factors, such as pKa values, steric effects, hydrogen bonding, and solvation/desolvation of the exogenous base and acid employed. The presence of multiple protonation sites introduces branching points along the catalytic cycle, making less productive pathways accessible, or leading to the formation of stable off-cycle species. Using ligands with only one pendant amine mitigates this problem and results in catalysts with high rates for production of H2. For H2 oxidation catalysts, iron complexes with a high H2 binding affinity were developed. However, the improvement of H2 binding enthalpy resulted in a pKa mismatch between the protonated metal center and the protonated pendant amine, and consequently to rate-limiting intramolecular proton movement. Taken altogether, our results demonstrate the necessity of optimizing the entire catalytic cycle, as the optimization of a specific catalytic step can negatively influence another step, and not necessarily lead to better catalytic performance. We discuss a general procedure, based on thermodynamic arguments, which allows the simultaneous minimization of the free energy change of each catalytic step, yielding a nearly flat free energy surface, with no large barriers due to energy mismatches from either high- or low-energy intermediates. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for DOE.
hydrogen, catalysis, quantum chemistry, proton tra↗
Implementing Distributed Operations: A Comparison of Two Deep Space Missions
Two very different deep space exploration missions--Mars Exploration Rover and Cassini--have made use of distributed operations for their science teams. In the case of MER, the distributed operations capability was implemented only after the prime mission was completed, as the rovers continued to operate well in excess of their expected mission lifetimes; Cassini, designed for a mission of more than ten years, had planned for distributed operations from its inception. The rapid command turnaround timeline of MER, as well as many of the operations features implemented to support it, have proven to be conducive to distributed operations. These features include: a single science team leader during the tactical operations timeline, highly integrated science and engineering teams, processes and file structures designed to permit multiple team members to work in parallel to deliver sequencing products, web-based spacecraft status and planning reports for team-wide access, and near-elimination of paper products from the operations process. Additionally, MER has benefited from the initial co-location of its entire operations team, and from having a single Principal Investigator, while Cassini operations have had to reconcile multiple science teams distributed from before launch. Cassini has faced greater challenges in implementing effective distributed operations. Because extensive early planning is required to capture science opportunities on its tour and because sequence development takes significantly longer than sequence execution, multiple teams are contributing to multiple sequences concurrently. The complexity of integrating inputs from multiple teams is exacerbated by spacecraft operability issues and resource contention among the teams, each of which has their own Principal Investigator. Finally, much of the technology that MER has exploited to facilitate distributed operations was not available when the Cassini ground system was designed, although later adoption of web-based and telecommunication tools has been critical to the success of Cassini operations.
Cassini Mission↗
Quantifying the regime of thermodynamic control for solid-state reactions during ternary metal oxide synthesis
The success of solid-state synthesis often hinges on the first intermediate phase that forms, which determines the remaining driving force to produce the desired target material. Recent work suggests that when reaction energies are large, thermodynamics primarily dictates the initial product formed, regardless of reactant stoichiometry. Here, we validate this principle and quantify its constraints by performing in situ characterization on 37 pairs of reactants. These experiments reveal a threshold for thermodynamic control in solid-state reactions, whereby initial product formation can be predicted when its driving force exceeds that of all other competing phases by ≥60 milli–electron volt per atom. In contrast, when multiple phases have a comparable driving force to form, the initial product is more often determined by kinetic factors. Analysis of the Materials Project data shows that 15% of possible reactions fall within the regime of thermodynamic control, highlighting the opportunity to predict synthesis pathways from first principles.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Cross Section Measurements of Photonuclear Reaction Pathways Towards Promising Medical Radioisotopes
Project Objectives: The goal of this project was to generate data relevant to radioisotope production while developing innovative technologies that foster and enhance novel production of radioisotopes, and, also, while providing opportunities for cultivating and training future generations of scientists. This work has provided the foundation for methodologies for determination of photonuclear cross sections over multiple energies in a single irradiation. Simultaneously, the feasibility of electron LINAC production of several in-demand radioisotopes such as 47 Sc, 67 Cu, 77 As, and 186 Re has been demonstrated. To accomplish these objectives a collaboration was formed between two complimentary facilities, the Low Energy Accelerator Facility (LEAF) at Argonne National Laboratory and the High Intensity Gamma-ray Source (HIGS) at Triangular Universities Nuclear Laboratory (TUNL). The involvement of the research group from North Carolina Central University gave students at this Historically Black University experience in forefront nuclear-physics research relevant to addressing a high-priority interdisciplinary issue. Project Description: HIGS provides a nearly monoenergetic gamma-ray beam by intra-cavity Compton backscattering of free-electron photons from electrons circulating in a storage ring. This beam can be collimated to produce a very precise energy beam. If the beam is un-collimated a calculated and precise energy spread of the beam occurs radially. The γ-flux can be evenly distributed over the radial distribution of energy and used to perform activation experiments on concentric ring targets. Thus providing multiple energy ranges in a single irradiation. Each concentric ring target can be counted separately in order to determine activation at the given energy and successively be correlated to the activation cross section. Targets were activated to determine production feasibility using electron beams at LEAF. Potential Impact: The Nuclear Science Advisory Committee recently named production of radioisotopes with electron LINACs as one of the most compelling and largest-impact opportunities for the production of high specific activity radioisotopes. Improving the photonuclear cross sectional data base with experimentally verified results will greatly enhance a researcher’s ability to rationalize electron LINAC production routes towards desired radioisotopes. This work will provide the foundation for methodologies for determination of photonuclear cross sections over multiple energies and multiple targets in a single irradiation. The techniques developed in this project will enable future studies to continue verifying theoretically predicted photonuclear cross section with experimental results. These data will also enable adaptation of models and support more precise theoretical calculation of photonuclear cross sections. This research will involve undergraduates, graduate students, and post-docs to give them a valuable research experience leading towards the next generation of scientists in the field of medical isotopes.
07 ISOTOPE AND RADIATION SOURCES↗
Steps towards ‘drop-in’ biofuels: focusing on metabolic pathways
The past decade has witnessed rapid advance in microbial production of ‘drop-in’ biofuels from renewable resources. Various biosynthetic pathways have been constructed to produce biofuels with diverse structures, and multiple metabolic engineering strategies have been developed to increase biofuel titers, yields, productivities and system robustness. In this review, we intend to give a brief but comprehensive overview of the most recent progresses on four essential pathways leading to ‘drop-in’ biofuel production, with an emphasis on the metabolic pathway efficiencies and biofuel structures. Furthermore, we also provide an insightful discussion on optimization strategies to improve the robustness of the microbial platforms for biofuel production.
09 BIOMASS FUELS↗
El Nino Drought Increased Canopy Turnover in Amazon Forests
Amazon droughts, including the 2015-2016 El Ni~no, may reduce forest net primary productivityand increase canopy tree mortality, thereby altering both the short- and the longtermnet forest carbon balance. Given the broad extent of drought impacts, inventory plots oreddy flux towers may not capture regional variability in forest response to drought. We used multi-temporal airborne Lidar data and field measurements of coarse woodydebris to estimate patterns of canopy turnover and associated carbon losses in intact and fragmentedforests in the central Brazilian Amazon between 2013-2014 and 2014-2016. Average annualized canopy turnover rates increased by 65% during the drought period inboth intact and fragmented forests. The average size and height of turnover events was similarfor both time intervals, in contrast to expectations that the 2015-2016 El Ni~no droughtwould disproportionally affect large trees. Lidar biomass relationships between canopyturnover and field measurements of coarse woody debris were modest (R2 0.3), given similarcoarse woody debris production and Lidar-derived changes in canopy volume from singletree and multiple branch fall events. Our findings suggest that El Ni~no conditions accelerated canopy turnover in central Amazonforests, increasing coarse woody debris production by 62% to 1.22 Mg C ha1(exp) yr1(exp) indrought years.
ecosystem models↗
MarK, a Novosphingobium aromaticivorans kinase required for catabolism of multiple aromatic monomers
The aromatic compounds used in a variety of industrial products are currently obtained from nonrenewable petroleum sources. Alternatively, the plant polymer lignin is an abundant renewable source of aromatics, and its depolymerization generates a variety of products that can include acetovanillone, a vanillin derivative containing an acetyl side chain. The Alphaproteobacterium Novosphingobium aromaticivorans DSM12444 can metabolize several chemically modified aromatics in deconstructed lignin, but not acetovanillone. In this work, adaptive laboratory evolution identified a single amino acid change in the previously uncharacterized gene product Saro_1862 that is necessary and sufficient for N. aromaticivorans growth with acetovanillone as a sole growth substrate, as well as other aromatic monomers not metabolized by wild-type cells. We show that a glutamate (E) to lysine (K) substitution at amino acid residue 16 of Saro_1862 results in a ~1600-fold increase in the rate of ATP-dependent acetovanillone phosphorylation. We also find that recombinant Saro_1862 E16K phosphorylates several other aromatic compounds in vitro , defining the first reported catalytic activity for the widespread UPF0261 protein domain contained in Saro_1862. Thus, we propose naming Saro_1862 MarK, for multiple aromatic kinase. A 1.57 Å crystal structure of MarK E16K predicts that the E16K substitution lies in a potential ATP binding site, suggesting how this amino acid change increased catalytic activity. A search for homologs of MarK and other proteins required for acetovanillone degradation predicts that this pathway for aromatic metabolism exists throughout the bacterial phylogeny.
Novosphingobium↗
Unimolecular Decay of Criegee Intermediates to OH Radical Products: Prompt and Thermal Decay Processes
Alkene ozonolysis is a primary oxidation pathway for anthropogenic and biogenic alkenes emitted into the troposphere. It is also an important source of atmospheric hydroxyl (OH) radicals, often called the atmosphere's detergent. Alkene ozonolysis takes place through a highly exothermic reaction pathway with multiple intermediates and barriers prior to releasing the OH radical products. Here, this Account focuses on a key reaction intermediate with a carbonyl oxide functional group (-COO), known as the Criegee intermediate, which is formed along with a carbonyl coproduct in alkene ozonolysis reactions. Under atmospheric conditions, the initially energized Criegee intermediates may promptly decay to OH products or be collisionally stabilized prior to thermal decay to OH radicals and other products.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Investigating strangeness enhancement in jet and medium via 𝜙(1020) production in 𝑝-Pb collisions at √ s NN = 5.02TeV
This work aims to differentiate strangeness produced from hard processes (jetlike) and softer processes (underlying event) by measuring the angular correlation between a high-momentum trigger hadron (ℎ) acting as a jet proxy and a produced strange hadron [𝜙(1020) meson]. Measuring ℎ−𝜙 correlations at midrapidity in 𝑝-Pb collisions at √ s NN = 5.02TeV as a function of event multiplicity provides insight into the microscopic origin of strangeness enhancement in small collision systems. The jetlike and the underlying-event-like strangeness production are investigated as a function of event multiplicity. They are also compared between a lower and higher momentum region. The evolutions of the per-trigger yields within the near-side (aligned with the trigger hadron) and away-side (in the opposite direction of the trigger hadron) jets are studied separately, allowing for the characterization of two distinct jetlike production regimes. Furthermore, the ℎ−𝜙 correlations within the underlying event give access to a production regime dominated by soft production processes, which can be compared directly to the in-jet production. Comparisons between ℎ−𝜙 and dihadron correlations show that the observed strangeness enhancement is largely driven by the underlying event, where the 𝜙/ℎ ratio is significantly larger than within the jet regions. As multiplicity increases, the fraction of the total 𝜙(1020) yield coming from jets decreases compared to the underlying event production, leading to high-multiplicity events being dominated by the increased strangeness production from the underlying event.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Experiments and Simulations of the Use of Time-Correlated Thermal Neutron Counting to Determine the Multiplication of an Assembly of Highly Enriched Uranium
A series of experiments and numerical simulations using thermal-neutron time-correlated measurements has been performed to determine the neutron multiplication, M, of assemblies of highly enriched uranium available at Idaho National Laboratory. The experiments used up to 14.4 kg of highly-enriched uranium, including bare assemblies and assemblies reflected with high-density polyethylene, carbon steel, and tungsten. A small 252Cf source was used to initiate fission chains within the assembly. Both the experiments and the simulations used 6-channel and 8-channel detector systems, each consisting of 3He proportional counters moderated with polyethylene; data was recorded in list mode for analysis. 'True' multiplication values for each assembly were empirically derived using basic neutron production and loss values determined through simulation. A total of one-hundred and sixteen separate measurements were performed using fifty-seven unique measurement scenarios, the multiplication varied from 1.75 to 10.90. This paper presents the results of these comparisons and discusses differences among the various cases.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Method and apparatus for maximizing throughput of indirectly heated rotary kilns
An apparatus and method for achieving improved throughput capacity of indirectly heated rotary kilns used to produce pyrolysis products such as shale oils or coal oils that are susceptible to decomposition by high kiln wall temperatures is disclosed. High throughput is achieved by firing the kiln such that optimum wall temperatures are maintained beginning at the point where the materials enter the heating section of the kiln and extending to the point where the materials leave the heated section. Multiple high velocity burners are arranged such that combustion products directly impact on the area of the kiln wall covered internally by the solid material being heated. Firing rates for the burners are controlled to maintain optimum wall temperatures.
47 OTHER INSTRUMENTATION↗
Method and apparatus for maximizing throughput of indirectly heated rotary kilns
An apparatus and method for achieving improved throughput capacity of indirectly heated rotary kilns used to produce pyrolysis products such as shale oils or coal oils that are susceptible to decomposition by high kiln wall temperatures is disclosed. High throughput is achieved by firing the kiln such that optimum wall temperatures are maintained beginning at the point where the materials enter the heating section of the kiln and extending to the point where the materials leave the heated section. Multiple high velocity burners are arranged such that combustion products directly impact on the area of the kiln wall covered internally by the solid material being heated. Firing rates for the burners are controlled to maintain optimum wall temperatures.
01 COAL, LIGNITE, AND PEAT↗