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At least 505 records · Page 28

Quantitative validation of Ames IR intensity and new line lists for (32/33/34)S(16)O2, (32)S(18)O2 and (16)O(32)S(18)O

The quality of Ames-296K SO2 Infrared (IR) line list intensities is first validated by quantitative exploration of several dipole moment surfaces (DMSs) and partition sum convergence. The DMSs are computed with several of Dunning’s correlation-consistent basis sets and their vibrational dependence are compared to the empirical model derived from Stark effect experiments reported by D. Patel, D. Margolese, and T.R. Dykea [J.Chem.Phys. 70, 2740 (1979)]. The effective dipole deviations from the DMS adopted in the Ames IR lists is 0.2-0.4% for vibrational states up to 3v3. The vibrational dependence of the dipole moment is also in good agreement, except for nv1. Partition sum convergence at 296K is confirmed by new calculations with rotational quantum number J up to 150 and upper state E’ up to 8000 cm-1. The isotopologue consistency of the Ames IR line lists is superior relative to the regular Effective Hamiltonian (EH) models and Effective Dipole Moment (EDM) models. The v1+v2 and v2+v3 intensity consistency check reveals the recently reported experimental intensities need significant improvement or re-analysis. After the accuracy, convergence, and isotopologue consistency have been confirmed, the theoretical Ames-296K intensities are combined with the experimental line positions or EH models that experimental spectroscopists published after 2009. Three high-resolution IR line sets are reported for the (32/33/34)S(16)O2, (32)S(18)O2 and (16)O(32)S(18)O isotopologues: (1) the “New Lines Sets” include experimentally measured line positions; (2) the “Expanded Line Sets” include possible transitions among new rovibrational levels assigned in experiments and ground state (GS) levels predicted by reliable EH models; (3) the “Ames + MARVEL Sets” include possible transitions among all those levels reported in a recent MARVEL analysis. [Tóbiás et al, JQSRT 208, 152 (2018)]. Compared to the limited data in High-resolution TRANsmission molecular absorption database (HITRAN), these line sets have significantly improved the data coverage up to 4000 cm-1. Some missing bands can be traced to the unpublished experimental data. The isotopologue consistency of these line sets will help identify the uncertainties and defects in the experimental EH and EDM models. These line sets are good candidates for the next HITRAN update, if line shape parameters are available. The line sets can be downloaded from supplementary files or from the Ames Molecular Spectroscopic Database at http://huang.seti.org.

Xinchuan Huang↗

Experiments in Reconstructing Twentieth-Century Sea Levels

One approach to reconstructing historical sea level from the relatively sparse tide-gauge network is to employ Empirical Orthogonal Functions (EOFs) as interpolatory spatial basis functions. The EOFs are determined from independent global data, generally sea-surface heights from either satellite altimetry or a numerical ocean model. The problem is revisited here for sea level since 1900. A new approach to handling the tide-gauge datum problem by direct solution offers possible advantages over the method of integrating sea-level differences, with the potential of eventually adjusting datums into the global terrestrial reference frame. The resulting time series of global mean sea levels appears fairly insensitive to the adopted set of EOFs. In contrast, charts of regional sea level anomalies and trends are very sensitive to the adopted set of EOFs, especially for the sparser network of gauges in the early 20th century. The reconstructions appear especially suspect before 1950 in the tropical Pacific. While this limits some applications of the sea-level reconstructions, the sensitivity does appear adequately captured by formal uncertainties. All our solutions show regional trends over the past five decades to be fairly uniform throughout the global ocean, in contrast to trends observed over the shorter altimeter era. Consistent with several previous estimates, the global sea-level rise since 1900 is 1.70 +/- 0.26 mm/yr. The global trend since 1995 exceeds 3 mm/yr which is consistent with altimeter measurements, but this large trend was possibly also reached between 1935 and 1950.

Ray, Richard D.↗

Automatic rule generation for high-level vision

A new fuzzy set based technique that was developed for decision making is discussed. It is a method to generate fuzzy decision rules automatically for image analysis. This paper proposes a method to generate rule-based approaches to solve problems such as autonomous navigation and image understanding automatically from training data. The proposed method is also capable of filtering out irrelevant features and criteria from the rules.

Rhee, Frank Chung-Hoon↗

Minimum Climb to Cruise Noise Trajectories Modeled for the High Speed Civil Transport

The proposed U.S. High Speed Civil Transport (HSCT) will revolutionize commercial air travel by providing economical supersonic passenger service to destinations worldwide. Unlike the high-bypass turbofan engines that propel today's subsonic airliners, HSCT engines will have much higher jet exhaust speeds. Jet noise, caused by the turbulent mixing of high-speed exhaust with the surrounding air, poses a significant challenge for HSCT engine designers. To resolve this challenge, engineers have designed advanced mixer rejector nozzles that reduce HSCT jet noise to airport noise certification levels by entraining and mixing large quantities of ambient air with the engines' jet streams. Although this works well during the first several minutes of flight, far away from the airport, as the HSCT gains speed and climbs, poor ejector inlet recovery and ejector ram drag contribute to poor thrust, making it advantageous to turn off the ejector. Doing so prematurely, however, can cause unacceptable noise levels to propagate to the ground, even when the aircraft is many miles from the airport. This situation lends itself ideally to optimization, where the aircraft trajectory, throttle setting, and ejector setting can be varied (subject to practical aircraft constraints) to minimize the noise propagated to the ground. A method was developed at the NASA Lewis Research Center that employs a variation of the classic energy state approximation: a trajectory analysis technique historically used to minimize climb time or fuel burned in many aircraft problems. To minimize the noise on the ground at any given throttle setting, high aircraft altitudes are desirable; but the HSCT may either climb quickly to high altitudes using a high, noisy throttle setting or climb more slowly at a lower, quieter throttle setting. An optimizer has been programmed into NASA's existing aircraft and noise analysis codes to balance these options by dynamically choosing the best altitude-velocity path and throttle setting history. The noise level standard, or metric, used in the optimizer should be one that accurately reflects the subjective annoyance levels of ground-based observers under the flight path. A variety of noise metrics are available, many of which are practical for airport-vicinity noise certification. Unlike airport noise, however, the HSCT's climb noise will be characterized by relatively low noise levels, long durations, and low-frequency spectra. The noise metrics used in these calculations are based on the recommendations of researchers at the NASA Langley Research Center, who have correlated the flyover noise annoyance levels of actual laboratory subjects with a variety of measurements. Analysis of data from this optimizer has shown that significant reductions in noise may be obtained with trajectory optimization. And since throttling operations are performed in the subsonic portion of the climb path (where thrust is plentiful), only small penalties in HSCT range or fuel performance occur.

Berton, Jeffrey J.↗

Search for new phenomena in events with two opposite-charge leptons, jets and missing transverse momentum in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV with the ATLAS detector

The results of a search for direct pair production of top squarks and for dark matter in events with two opposite-charge leptons (electrons or muons), jets and missing transverse momentum are reported, using 139 fb –1 of integrated luminosity from proton-proton collisions at √s = 13 TeV, collected by the ATLAS detector at the Large Hadron Collider during Run 2 (2015–2018). This search considers the pair production of top squarks and is sensitive across a wide range of mass differences between the top squark and the lightest neutralino. Additionally, spin-0 mediator dark-matter models are considered, in which the mediator is produced in association with a pair of top quarks. The mediator subsequently decays to a pair of dark-matter particles. No significant excess of events is observed above the Standard Model background, and limits are set at 95% confidence level. The results exclude top squark masses up to about 1 TeV, and masses of the lightest neutralino up to about 500 GeV. Limits on dark-matter production are set for scalar (pseudoscalar) mediator masses up to about 250 (300) GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Explainability and human intervention in autonomous scanning probe microscopy

The broad adoption of machine learning (ML)-based autonomous experiments (AEs) in material characterization and synthesis requires strategies development for understanding and intervention in the experimental workflow. Here, we introduce and realize a post-experimental analysis strategy for deep kernel learning-based autonomous scanning probe microscopy. This approach yields real-time and post-experimental indicators for the progression of an active learning process interacting with an experimental system. We further illustrate how this approach can be applied to human-in-the-loop AEs, where human operators make high-level decisions at high latencies setting the policies for AEs, and the ML algorithm performs low-level, fast decisions. The proposed approach is universal and can be extended to other techniques and applications such as combinatorial library analysis.

47 OTHER INSTRUMENTATION↗

Arithmetic Data Cube as a Data Intensive Benchmark

Data movement across computational grids and across memory hierarchy of individual grid machines is known to be a limiting factor for application involving large data sets. In this paper we introduce the Data Cube Operator on an Arithmetic Data Set which we call Arithmetic Data Cube (ADC). We propose to use the ADC to benchmark grid capabilities to handle large distributed data sets. The ADC stresses all levels of grid memory by producing 2d views of an Arithmetic Data Set of d-tuples described by a small number of parameters. We control data intensity of the ADC by controlling the sizes of the views through choice of the tuple parameters.

Frumkin, Michael A.↗

Glass Property-Composition Models Update for use in Direct Feed High-Level Waste Flowsheet Development: EWG3.0

A set of preliminary glass property models and constraints were developed and augmented by models from literature for use in design of Direct Feed High-Level Waste glasses for flowsheet evaluation, testing, and design of the High-Level Waste Facility at the Hanford Waste Treatment and Immobilization Plant. These models and constraints are meant to be used as a placeholder while glass property-composition data gaps are filled and final plant operating models are developed. This report describes the motivation and intended use of the models, the compilation of data, model fitting and selection, and methods to apply the models and constraints in glass design, and offers example calculations demonstrating their intended use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A combined representation method for use in band structure calculations. 1: Method

A representation was described whose basis levels combine the important physical aspects of a finite set of plane waves with those of a set of Bloch tight-binding levels. The chosen combination has a particularly simple dependence on the wave vector within the Brillouin Zone, and its use in reducing the standard one-electron band structure problem to the usual secular equation has the advantage that the lattice sums involved in the calculation of the matrix elements are actually independent of the wave vector. For systems with complicated crystal structures, for which the Korringa-Kohn-Rostoker (KKR), Augmented-Plane Wave (APW) and Orthogonalized-Plane Wave (OPW) methods are difficult to apply, the present method leads to results with satisfactory accuracy and convergence.

Friedli, C.↗

Search for a light pseudoscalar Higgs boson in the boosted $\mu\mu\tau\tau$ final state in proton-proton collisions at $\sqrt{s}=$ 13 TeV

A search for a light pseudoscalar Higgs boson (a) decaying from the 125 GeV (or a heavier) scalar Higgs boson (H) is performed using the 2016 LHC proton-proton collision data at $ \sqrt{s} $ = 13 TeV, corresponding to an integrated luminosity of 35.9 fb$^{−1}$, collected by the CMS experiment. The analysis considers gluon fusion and vector boson fusion production of the H, followed by the decay H → aa → μμττ, and considers pseudoscalar masses in the range 3.6 < m$_{a}$< 21 GeV. Because of the large mass difference between the H and the a bosons and the small masses of the a boson decay products, both the μμ and the ττ pairs have high Lorentz boost and are collimated. The ττ reconstruction efficiency is increased by modifying the standard technique for hadronic τ lepton decay reconstruction to account for a nearby muon. No significant signal is observed. Model-independent limits are set at 95% confidence level, as a function of m$_{a}$, on the branching fraction (ℬ) for H → aa → μμττ, down to 1.5 (2.0) × 10$^{−4}$ for m$_{H}$ = 125 (300) GeV. Model-dependent limits on ℬ(H → aa) are set within the context of two Higgs doublets plus singlet models, with the most stringent results obtained for Type-III models. These results extend current LHC searches for heavier a bosons that decay to resolved lepton pairs and provide the first such bounds for an H boson with a mass above 125 GeV.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for the doubly heavy $ {\Xi}_{bc}^0 $ baryon via decays to D0pK-

A search for the doubly heavy \( {\Xi}_{bc}^0 \) baryon using its decay to the D 0 pK – final state is performed using proton-proton collision data at a centre-of-mass energy of 13 TeV collected by the LHCb experiment between 2016 and 2018, corresponding to an integrated luminosity of 5.4 fb - 1 . No significant signal is found in the invariant mass range from 6.7 to 7.2 GeV/ c 2 . Upper limits are set at 95% credibility level on the ratio of the \( {\Xi}_{bc}^0 \) production cross-section times its branching fraction to D 0 pK - relative to that of the \( {\Lambda}_b^0\to {D}^0{pK}^{-} \) decay. The limits are set as a function of the \( {\Xi}_{bc}^0 \) mass and lifetime hypotheses, in the rapidity range from 2.0 to 4.5 and in the transverse momentum region from 5 to 25 GeV/ c . Upper limits range from 1 . 7 × 10 - 2 to 3 . 0 × 10 - 1 for the considered \( {\Xi}_{bc}^0 \) mass and lifetime hypotheses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Boundary-Layer-Ingesting Inlet Flow Control

An experimental study was conducted to provide the first demonstration of an active flow control system for a flush-mounted inlet with significant boundary-layer-ingestion in transonic flow conditions. The effectiveness of the flow control in reducing the circumferential distortion at the engine fan-face location was assessed using a 2.5%-scale model of a boundary-layer-ingesting offset diffusing inlet. The inlet was flush mounted to the tunnel wall and ingested a large boundary layer with a boundary-layer-to-inlet height ratio of 35%. Different jet distribution patterns and jet mass flow rates were used in the inlet to control distortion. A vane configuration was also tested. Finally a hybrid vane/jet configuration was tested leveraging strengths of both types of devices. Measurements were made of the onset boundary layer, the duct surface static pressures, and the mass flow rates through the duct and the flow control actuators. The distortion and pressure recovery were measured at the aerodynamic interface plane. The data show that control jets and vanes reduce circumferential distortion to acceptable levels. The point-design vane configuration produced higher distortion levels at off-design settings. The hybrid vane/jet flow control configuration reduced the off-design distortion levels to acceptable ones and used less than 0.5% of the inlet mass flow to supply the jets.

Owens, Lewis R.↗

Glass Property-Composition Models Update for use in Direct Feed High-Level Waste Flowsheet Development: EWG2.6

A set of preliminary glass property models and constraints were developed and augmented by models from literature for use in design of direct-feed high-level waste (DFHLW) glasses for flowsheet evaluation, testing, and design of the Waste Treatment and Immobilization Plant (WTP) high-level waste (HLW) Facility. These models and constraints are meant to be used as a place-holder while glass property-composition data gaps are filled and final plant operating models are developed. This report describes the motivation and intended use of the models, the compilation of data, model fitting and selection, methods to apply the models and constraints in glass design and offers example calculations demonstrating their intended use.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Search for a W' boson decaying to a vector-like quark and a top or bottom quark in the all-jets final state at $\sqrt{\mathrm{s}}$ = 13 TeV

A search is presented for a heavy W' boson resonance decaying to a B or T vector-like quark and a t or a b quark, respectively. The analysis is performed using proton-proton collisions collected with the CMS detector at the LHC. The data correspond to an integrated luminosity of 138 fb -1 at a center-of-mass energy of 13 TeV. Both decay channels result in a signature with a t quark, a Higgs or Z boson, and a b quark, each produced with a significant Lorentz boost. The all-hadronic decays of the Higgs or Z boson and of the t quark are selected using jet substructure techniques to reduce standard model backgrounds, resulting in a distinct three-jet W' boson decay signature. No significant deviation in data with respect to the standard model background prediction is observed. Upper limits are set at 95% confidence level on the product of the W' boson cross section and the final state branching fraction. A W' boson with a mass below 3.1 TeV is excluded, given the benchmark model assumption of democratic branching fractions. In addition, limits are set based on generalizations of these assumptions. These are the most sensitive limits to date for this final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Activities of the NASA Urban Air Mobility Noise Working Group (UNWG)

The NASA-led Urban Air Mobility Noise Working Group was established in 2018 following an exploratory meeting of stakeholders from traditional and emerging aviation sectors across industry, government agencies, academia, and community groups. Its mission is to create and support a diverse community of acoustics experts to identify, discuss, and address noise issues associated with UAM vehicles and their operations. The UNWG is comprised of four subgroups including Tools and Technologies, Ground and Flight Testing, Human Response and Metrics, and Regulation and Policy. In 2020, NASA published the white paper entitled “Urban Air Mobility Noise: Current Practice, Gaps, and Recommendations,” that presents a set of high-level goals and makes recommendations to address gaps in the current practice. This presentation is about recent activities of each of the subgroups to address those recommendations, including work towards establishment of an aeroacoustic test database for model validation, development of a set of measurement guidelines to quantify vehicle acoustic emission, a remotely administered human response study for quantifying annoyance to UAM operations, and status on noise standard, regulation, policy, and community engagement developments.

Urban air mobility↗

PV Reliability Lessons from 100,000 Systems

Despite the importance of reliability to the cost competitiveness of PV, large data sets enabling high-level investigation of the technology’s performance in the field are relatively scarce. Dirk C. Jordan, Chris Deline, Bill Marion and Teresa Barnes of the National Renewable Energy Laboratory, and Mark Bolinger of the Lawrence Berkeley National Laboratory study a unique data set of 100,000 PV systems in the US, drawing out tips for better reliability that have relevance to other parts of the world.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Theoretical kinetics predictions for NH 2 + HO 2

Recent modeling studies of NH 3 oxidation, which are motivated by the prospective role of ammonia as a zero-carbon fuel, have indicated significant discrepancies between existing literature mechanisms. In this study high level theoretical kinetics predictions have been obtained for the reaction of NH 2 with HO 2 , which has previously been highlighted as an important reaction with high sensitivity and high uncertainty. The potential energy surface is explored with coupled cluster calculations including large basis sets and high-level corrections to yield high accuracy (~0.2 kcal/mol) estimates of the stationary point energies. Variational transition state theory is used to predict the microcanonical rate constants, which are then incorporated in master equation treatments of the temperature and pressure dependent kinetics. For the radical-radical channels, the microcanonical rates are obtained from variable reaction coordinate transition state theory implementing directly evaluated multireference electronic energies. The analysis yields predictions for the total rate constant as well as the branching to the NH 3 + O 2 , H 2 NO + OH, and HNO + H 2 O channels. Rate constants are also reported for the H 2 NO + OH reaction as they arise naturally from the analysis. The rate constant and branching fraction determined in this work for the NH 2 + HO 2 reaction deviate significantly from values used in most previous modeling studies. The fact that the main product channel is chain terminating, rather than propagating, has strong implications for modeling NH 3 ignition and oxidation, in particular at intermediate temperatures and elevated pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗