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At least 1,243 records · Page 69

The computation of C-C and N-N bond dissociation energies for singly, doubly, and triply bonded systems

The bond dissociation energies (D sub e) of C2H2, C2H4, C2H6, N2, N2H2, and N2H4 are studied at various levels of correlation treatment. The convergence of D sub e with respect to the one particle basis is studied at the single reference modified coupled-pair functional (MCPF) level. At all levels of correlation treatment, the errors in the bond dissociation energies increase with the degree of multiple bond character. The multireference configuration interaction (MRCI) D sub e values, corrected for an estimate of higher excitations, are in excellent agreement with those determined using the size extensive averaged coupled pair functional (ACPF) method. It was found that the full valence complete active space self consistent field (CASSCF)/MRCI calculations are reproduced very well by MRCI calculations based on a CASSCF calculation that includes in the active space only those electrons involved in the C-C or N-N bonds. To achieve chemical accuracy (1 kcal/mole) for the D sub e values of the doubly bonded species C2H4 and N2H2 requires one particle basis sets including up through h angular momentum functions (l = 5) and a multireference treatment of electron correlation: still higher levels of calculation are required to achieve chemical accuracy for the triply bonded species C2H2 and N2.

Langhoff, Stephen R.↗

Evaluation of very long baseline interferometry atmospheric modeling improvements

We determine the improvement in baseline length precision and accuracy using new atmospheric delay mapping functions and MTT by analyzing the NASA Crustal Dynamics Project research and development (R&D) experiments and the International Radio Interferometric Surveying (IRIS) A experiments. These mapping functions reduce baseline length scatter by about 20% below that using the CfA2.2 dry and Chao wet mapping functions. With the newer mapping functions, average station vertical scatter inferred from observed length precision (given by length repeatabilites) is 11.4 mm for the 1987-1990 monthly R&D series of experiments and 5.6 mm for the 3-week-long extended research and development experiment (ERDE) series. The inferred monthly R&D station vertical scatter is reduced by 2 mm or by 7 mm is a root-sum-square (rss) sense. Length repeatabilities are optimum when observations below a 7-8 deg elevation cutoff are removed from the geodetic solution. Analyses of IRIS-A data from 1984 through 1991 and the monthly R&D experiments both yielded a nonatmospheric unmodeled station vertical error or about 8 mm. In addition, analysis of the IRIS-A exeriments revealed systematic effects in the evolution of some baseline length measurements. The length rate of change has an apparent acceleration, and the length evolution has a quasi-annual signature. We show that the origin of these effects is unlikely to be related to atmospheric modeling errors. Rates of change of the transatlantic Westford-Wettzell and Richmond-Wettzell baseline lengths calculated from 1988 through 1991 agree with the NUVEL-1 plate motion model (Argus and Gordon, 1991) to within 1 mm/yr. Short-term (less than 90 days) variations of IRIS-A baseline length measurements contribute more than 90% of the observed scatter about a best fit line, and this short-term scatter has large variations on an annual time scale.

Macmillan, D. S.↗

Numerical Predictions of Wind Turbine Power and Aerodynamic Loads for the NREL Phase II and IV Combined Experiment Rotor

Accurate, reliable and robust numerical predictions of wind turbine rotor power remain a challenge to the wind energy industry. The literature reports various methods that compare predictions to experiments. The methods vary from Blade Element Momentum Theory (BEM), Vortex Lattice (VL), to variants of Reynolds-averaged Navier-Stokes (RaNS). The BEM and VL methods consistently show discrepancies in predicting rotor power at higher wind speeds mainly due to inadequacies with inboard stall and stall delay models. The RaNS methodologies show promise in predicting blade stall. However, inaccurate rotor vortex wake convection, boundary layer turbulence modeling and grid resolution has limited their accuracy. In addition, the inherently unsteady stalled flow conditions become computationally expensive for even the best endowed research labs. Although numerical power predictions have been compared to experiment. The availability of good wind turbine data sufficient for code validation experimental data that has been extracted from the IEA Annex XIV download site for the NREL Combined Experiment phase II and phase IV rotor. In addition, the comparisons will show data that has been further reduced into steady wind and zero yaw conditions suitable for comparisons to "steady wind" rotor power predictions. In summary, the paper will present and discuss the capabilities and limitations of the three numerical methods and make available a database of experimental data suitable to help other numerical methods practitioners validate their own work.

Duque, Earl P. N.↗

Accuracy and Precision in the Southern Hemisphere Additional Ozonesondes (SHADOZ) Dataset in Light of the JOSIE-2000 Results

Since 1998 the Southern Hemisphere ADditional OZonesondes (SHADOZ) project has provided over 2000 ozone profiles over eleven southern hemisphere tropical and subtropical stations. Balloon-borne electrochemical concentration cell (ECC) ozonesondes are used to measure ozone. The data are archived at: &ttp://croc.gsfc.nasa.gov/shadoz>. In analysis of ozonesonde imprecision within the SHADOZ dataset, Thompson et al. [JGR, 108,8238,20031 we pointed out that variations in ozonesonde technique (sensor solution strength, instrument manufacturer, data processing) could lead to station-to-station biases within the SHADOZ dataset. Imprecisions and accuracy in the SHADOZ dataset are examined in light of new data. First, SHADOZ total ozone column amounts are compared to version 8 TOMS (2004 release). As for TOMS version 7, satellite total ozone is usually higher than the integrated column amount from the sounding. Discrepancies between the sonde and satellite datasets decline two percentage points on average, compared to version 7 TOMS offsets. Second, the SHADOZ station data are compared to results of chamber simulations (JOSE-2000, Juelich Ozonesonde Intercomparison Experiment) in which the various SHADOZ techniques were evaluated. The range of JOSE column deviations from a standard instrument (-10%) in the chamber resembles that of the SHADOZ station data. It appears that some systematic variations in the SHADOZ ozone record are accounted for by differences in solution strength, data processing and instrument type (manufacturer).

Witte, Jacquelyn C.↗

Probabilistic Analysis of Impact of Wake Vortices on Closely-Spaced Parallel Approaches

One of the primary constraints on the capacity of the nation's air transportation system is the landing capacity of its largest airports. Many airports with closely spaced parallel runways suffer a severe runway acceptance rate when the weather conditions do not allow full utilization of these parallel runways. The present requirement for simultaneous independent landings in Instrument Meteorological Conditions, IMC, is at least 4300 feet of lateral runway spacing (as close as 3000 feet for runways with a Precision Runway Monitor). Operations in Visual Meteorological Conditions, VMC, to Closely Spaced Parallel Approaches only require a lateral runway spacing greater than 750 feet. A study by Hardy and Lewis integrated and extended earlier studies and concepts in lateral traffic separation, longitudinal station keeping, wake prediction, wake display, and the concepts of R N P into a preliminary system concept for Closely Spaced Parallel Approaches in IMC. This system allows IMC airport acceptance rates to approach those for VMC. The system concept that was developed, presented traffic and wake information on the NAVigation Display, NAV, and developed operational procedures for a mix of conventional and Runway Independent Aircraft with different approach speeds to Closely Spaced Parallel Runways. This paper first describes some improvements made on the technology needed to better predict and formulate a probabilistic representation for the time-dependent motion and spreading of the hazardous region associated with the lift-generated vortex wakes of preceding aircraft. In this way, the time at which the vortex wakes of leading aircraft intrude into the airspace of adjacent flight-corridor/runway combinations can be more reliably predicted. Such a prediction is needed because it determines restraints to be placed on in-trail separation distances; or, the allowable time intervals between aircraft executing nearly simultaneous landings or takeoffs on very closely-spaced runways. Improved estimates of wake spreading are achieved by inclusion of representations in the equations for wake spreading due to ambient turbulence and due to the long-wave instability of a vortex pair. Wake motion and spreading due to the time-averaged wind and its variations with time, are retained. The more detailed representation of wake spreading presented here permits the development of probabilistically-based uncertainty estimates for wake spreading. Measurements needed within actual aircraft wake vortices to validate and support this analysis are also described. The second part of the paper uses the improvements in the accuracy of the location of wake vortices to extend the preliminary system concept for Closely Spaced Parallel Approaches described earlier with more robust operational procedures. Additionally, improvements in longitudinal station keeping, wake display, and risk assessment methodologies are incorporated and described.

Hardy, Gordon H.↗

Onboard Interferometric SAR Processor for the Ka-Band Radar Interferometer (KaRIn)

An interferometric synthetic aperture radar (SAR) onboard processor concept and algorithm has been developed for the Ka-band radar interferometer (KaRIn) instrument on the Surface and Ocean Topography (SWOT) mission. This is a mission- critical subsystem that will perform interferometric SAR processing and multi-look averaging over the oceans to decrease the data rate by three orders of magnitude, and therefore enable the downlink of the radar data to the ground. The onboard processor performs demodulation, range compression, coregistration, and re-sampling, and forms nine azimuth squinted beams. For each of them, an interferogram is generated, including common-band spectral filtering to improve correlation, followed by averaging to the final 1 1-km ground resolution pixel. The onboard processor has been prototyped on a custom FPGA-based cPCI board, which will be part of the radar s digital subsystem. The level of complexity of this technology, dictated by the implementation of interferometric SAR processing at high resolution, the extremely tight level of accuracy required, and its implementation on FPGAs are unprecedented at the time of this reporting for an onboard processor for flight applications.

Esteban-Fernandez, Daniel↗

Exploiting Measurement Uncertainty Estimation in Evaluation of GOES-R ABI Image Navigation Accuracy Using Image Registration Techniques

In evaluating GOES-R Advanced Baseline Imager (ABI) image navigation quality, upsampled sub-images of ABI images are translated against downsampled Landsat 8 images of localized, high contrast earth scenes to determine the translations in the East-West and North-South directions that provide maximum correlation. The native Landsat resolution is much finer than that of ABI, and Landsat navigation accuracy is much better than ABI required navigation accuracy and expected performance. Therefore, Landsat images are considered to provide ground truth for comparison with ABI images, and the translations of ABI sub-images that produce maximum correlation with Landsat localized images are interpreted as ABI navigation errors. The measured local navigation errors from registration of numerous sub-images with the Landsat images are averaged to provide a statistically reliable measurement of the overall navigation error of the ABI image. The dispersion of the local navigation errors is also of great interest, since ABI navigation requirements are specified as bounds on the 99.73rd percentile of the magnitudes of per pixel navigation errors. However, the measurement uncertainty inherent in the use of image registration techniques tends to broaden the dispersion in measured local navigation errors, masking the true navigation performance of the ABI system. We have devised a novel and simple method for estimating the magnitude of the measurement uncertainty in registration error for any pair of images of the same earth scene. We use these measurement uncertainty estimates to filter out the higher quality measurements of local navigation error for inclusion in statistics. In so doing, we substantially reduce the dispersion in measured local navigation errors, thereby better approximating the true navigation performance of the ABI system.

navigation performance↗

Spectral Response and Effective Area Functions of the Hitomi Imaging Instruments

We describe the tools and the underlying methods and principles for generating the spectral response functions for the four imaging instruments that were flown on the Hitomi x-ray astronomy satellite [Soft X-ray Spectrometer, or SXS; Soft X-ray Imager, or SXI, and two Hard X-ray Imagers, or HXI]. In essence, the spectral response function is a temporally and spatially averaged effective area and line-spread-function. For model-fittingx-ray spectra from an instrument, the spectral response function encapsulates the end-to-end physics of the entire system from telescope to detector, and also includes satellite attitude drift, exposure corrections, and in the case of the HXIs, drift in the telescope/detector alignment system. Accuracy in the construction of the spectral response functions is, therefore, critical to maximize the science return from the data.

Yaqoob, Tahir↗

A Clustering-based biased Monte Carlo Approach to Protein Titration Curve Prediction

We develop and implement a novel approach to computing the ensemble averages in systems characterized by pair-wise interactions between the entities. Methods involving full enumeration of the configuration space result in exponential complexity. Sampling methods such as Markov Chain Monte Carlo (MCMC) algorithms have been proposed to tackle the exponential complexity of these problems. In certain scenarios where significant energetic coupling exists between the entities, the accuracy of the such algorithms can be diminished. We propose a strategy to improve the accuracy of the MCMC runs by taking advantage of the cluster structure in the interaction energy matrix. We propose two different schemes for performing the biased MCMC runs on the partitioned systems and show that they are valid MCMC schemes. We then apply these algorithms to the problem of computing the protonation fractions and hence the titration curves of titratable protein residues that constitute a given protein. We leverage both synthesized and real-world systems and show the improved performance of our biased MCMC methods when compared to the regular MCMC method.

Visweswara Sathanur, Arun↗

Fossil fuel CO 2 emissions over metropolitan areas from space: A multi-model analysis of OCO-2 data over Lahore, Pakistan

Urban areas, where gathering more than 55% of the global population, alone contributed to more than 70% of anthropogenic fossil fuel carbon dioxide (CO 2ff ) emissions. Accurate quantification of CO 2ff emissions from urban areas is of great importance to the formulation of global warming mitigation policies to achieve carbon neutrality by 2050. Satellite-based inversion techniques are unique among “top-down” approaches, potentially allowing us to track CO 2ff emission changes over cities globally. However, its accuracy is still limited by incomplete background information, cloud blockages, aerosol contaminations, and uncertainties in models and emission inventories used as prior. To evaluate the current potential of space-based quantification techniques, we present the first attempt to monitor long-term changes in CO 2ff emissions based on the OCO-2 satellite measurements of column-averaged dry-air mole fractions of CO 2 (X CO2 ) over a fast-growing Asian metropolitan area: Lahore, Pakistan. We first examined the OCO-2 data availability at global scale. About 17% of OCO-2 soundings are marked as high-quality soundings by quality flags over the global 70 most populated cities over the period 2014-2019. Cloud blockage and aerosol contamination are the two main causes of data loss. As an attempt to recover additional soundings, we evaluated the effectiveness of OCO-2 quality flags at the city level by comparing three flux quantification methods (WRF-Chem, X-STILT, and flux cross-sectional integration method), all based on the Open-Data Inventory for Anthropogenic Carbon dioxide (ODIAC) product. The satellite/bottom-up emissions (OCO-2/ODIAC) ratios of the high-quality tracks better converged across the three methods compared to the all-data tracks with reduced uncertainties in emissions. Thus, OCO-2 quality flags are useful filters of low-quality OCO-2 retrievals at local scales, although originally designed for global-scale studies. All three methods consistently suggested that the ratio medians are greater than 1, which implies that the ODIAC slightly underestimated the CO2ff emissions over Lahore. Additionally, our estimation of the a posteriori CO2ff emission trend was about 734 kt C/year (i.e., an annual 6.7% increase). 10,000 Monte Carlo simulations of the Mann-Kendall upward trend test showed that less than 10% prior uncertainty for 8 tracks (or less than 20% prior uncertainty for 25 tracks) is required to achieve a greater-than-50% trend significant possibility at a 95% confidence level. It implies that the trend is driven by the prior and not due to the assimilation of OCO-2 retrievals. The key to improving the role of satellite data in CO 2 emission trend detection lies in collecting more frequent high-quality tracks near metropolitan areas to achieve significant constraints from X CO2 retrievals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Boosting Barlow Twins Reduced Order Modeling for Machine Learning‐Based Surrogate Models in Multiphase Flow Problems

Abstract We present an innovative approach called boosting Barlow Twins reduced order modeling (BBT‐ROM) to enhance the reliability of machine learning surrogate models for multiphase flow problems. BBT‐ROM builds upon Barlow Twins reduced order modeling that leverages self‐supervised learning to effectively handle linear and nonlinear manifolds by constructing well‐structured latent spaces of input parameters and output quantities. To address the challenge of high contrast data in multiphase flow problems due to injection wells and faults, we employ a boosting algorithm within BBT‐ROM. This algorithm sequentially trains a set of weak models (i.e., inaccurate models), improving prediction accuracy through ensemble learning. To evaluate the performance of BBT‐ROM, we conduct three three‐dimensional multiphase flow problems, including waterflooding and geologic carbon storage (GCS), with varying numbers of input parameter cases and model domain features. The results demonstrate that BBT‐ROM excels at predicting non‐wetting phase saturation (e.g., oil or saturation) and fluid pressure, with average relative errors ranging from 0.5% to 3%. Importantly, BBT‐ROM showcases robustness when faced with limited input parameter space during GCS testing.

58 GEOSCIENCES↗

A second order yield-temperature relation for accurate inference of burn-averaged quantities in multi-species plasmas

Measured yields and ion temperatures inferred from the fusion product energy spectra can be used as metrics for the performance of an ICF implosion. This can be used to infer species separation, thermal decoupling, flows, or other effects that can cause the inferred ion temperatures to deviate from the true underlying thermal temperature and the yield ratio to deviate from the expected value. Direct inference of the impact of these effects on observed temperatures and yields can be difficult to uncover due to the underlying dependence on the shape and time evolution of the temperature and density profiles of the fusing plasma. Due to differences in the temperature dependence of the reactivities, different fusion products are emitted from different regions and times within the implosion. In order to properly account for this, a second-order analytical expression relating the apparent temperatures and yield ratios is developed. This expression can be coupled to models of yield and/or temperature altering effects to infer their burn-averaged impact on an implosion. The second-order expression shows significant improvement over lower-order expressions in synthetic data studies. Demonstrations of its applications to synthetic data coupled with models of ion thermal decoupling and radial flows are presented. In the case of thermal decoupling, both first and second-order expressions show reasonable levels of accuracy. To consistently infer the amplitude of radial flow with a <10% error, the second-order equation is required.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

ML-based Real-Time Control at the Edge: An Approach Using hls4ml

This study focuses on implementing a real-time control system for a particle accelerator facility that performs high energy physics experiments. A critical operating parameter in this facility is beam loss, which is the fraction of particles deviating from the accelerated proton beam into a cascade of secondary particles. Accelerators employ a large number of sensors to monitor beam loss. The data from these sensors is monitored by human operators who predict the relative contribution of different sub-systems to the beam loss. Using this information, they engage control interventions. In this paper, we present a controller to track this phenomenon in real-time using edge-Machine Learning (ML) and support control with low latency and high accuracy. We implemented this system on an Intel Arria 10 SoC. Optimizations at the algorithm, high-level synthesis, and interface levels to improve latency and resource usage are presented. Our design implements a neural network, which can predict the main source of beam loss (between two possible causes) at speeds up to 575 frames per second (fps) (average latency of 1.74 ms). The practical deployed system is required to operate at 320 fps, with a 3ms latency requirement, which has been met by our design successfully.

Shi, R.↗

Self-adjusting grid methods for one-dimensional hyperbolic conservation laws

The automatic adjustment of a grid which follows the dynamics of the numerical solution of hyperbolic conservation laws is given. The grid motion is determined by averaging the local characteristic velocities of the equations with respect to the amplitudes of the signals. The resulting algorithm is a simple extension of many currently popular Godunov-type methods. Computer codes using one of these methods can be easily modified to add the moving mesh as an option. Numerical examples are given that illustrate the improved accuracy of Godunov's and Roe's methods on a self-adjusting mesh. Previously announced in STAR as N83-15008

Harten, A.↗

Numerical solution of the unsteady Navier-Stokes equation

The construction and the analysis of nonoscillatory shock capturing methods for the approximation of hyperbolic conservation laws are discussed. These schemes share many desirable properties with total variation diminishing schemes, but TVD schemes have at most first-order accuracy, in the sense of truncation error, at extrema of the solution. In this paper a uniformly second-order approximation is constructed, which is nonoscillatory in the sense that the number of extrema of the discrete solution is not increasing in time. This is achieved via a nonoscillatory piecewise linear reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell.

Osher, Stanley J.↗

Power flow as a complement to statistical energy analysis and finite element analysis

Present methods of analysis of the structural response and the structure-borne transmission of vibrational energy use either finite element (FE) techniques or statistical energy analysis (SEA) methods. The FE methods are a very useful tool at low frequencies where the number of resonances involved in the analysis is rather small. On the other hand SEA methods can predict with acceptable accuracy the response and energy transmission between coupled structures at relatively high frequencies where the structural modal density is high and a statistical approach is the appropriate solution. In the mid-frequency range, a relatively large number of resonances exist which make finite element method too costly. On the other hand SEA methods can only predict an average level form. In this mid-frequency range a possible alternative is to use power flow techniques, where the input and flow of vibrational energy to excited and coupled structural components can be expressed in terms of input and transfer mobilities. This power flow technique can be extended from low to high frequencies and this can be integrated with established FE models at low frequencies and SEA models at high frequencies to form a verification of the method. This method of structural analysis using power flo and mobility methods, and its integration with SEA and FE analysis is applied to the case of two thin beams joined together at right angles.

Cuschieri, J. M.↗

Accuracy metrics for judging time scale algorithms

Time scales have been constructed in different ways to meet the many demands placed upon them for time accuracy, frequency accuracy, long-term stability, and robustness. Usually, no single time scale is optimum for all purposes. In the context of the impending availability of high-accuracy intermittently-operated cesium fountains, we reconsider the question of evaluating the accuracy of time scales which use an algorithm to span interruptions of the primary standard. We consider a broad class of calibration algorithms that can be evaluated and compared quantitatively for their accuracy in the presence of frequency drift and a full noise model (a mixture of white PM, flicker PM, white FM, flicker FM, and random walk FM noise). We present the analytic techniques for computing the standard uncertainty for the full noise model and this class of calibration algorithms. The simplest algorithm is evaluated to find the average-frequency uncertainty arising from the noise of the cesium fountain's local oscillator and from the noise of a hydrogen maser transfer-standard. This algorithm and known noise sources are shown to permit interlaboratory frequency transfer with a standard uncertainty of less than 10(exp -15) for periods of 30-100 days.

Douglas, R. J.↗

The Validation of Version 8 Ozone Profiles: Is SBUV Ready for Prime Time?

Ozone profile data are now available from a series of BUV instruments - SBUV on Nimbus 7 and SBW/2 instruments on NOAA 9, NOAA 11, and NOAA 16. The data have been processed through the new version 8 algorithm, which is designed to be more accurate and, more importantly, to reduce the influence of the a priori on ozone trends. As a part of the version 8 reprocessing we have attempted to apply a consistent calibration to the individual instruments so that their data records can be used together in a time series analysis. Validation consists of examining not only the mean difference from external datasets (i.e trends) but also consistency in the interannual variability of the data. Here we validate the v8 BUV data through comparison with ECC sondes, lidar and microwave measurements, and with SAGE II and HALOE satellite data records. We find that individual profiles generally agree with external data sets within +/-10% between 30 hPa and 1 hPa (approx. 24 - 50 km) and frequently agree within +/-5%. The interannual variability of the BUV ozone time series agrees well with that of SAGE II . On the average, different B W instruments usually agree within +/-5% with each other, though the relative error increases near the ends of the Nimbus 7 and NOAA 16 data records as a result of instrument problems. The combined v8 BUV data sets cover the 1979-2003 time period giving daily global coverage of the ozone vertical distribution to better accuracy than has ever been possible before.

McPeters, R. D.↗