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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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At least 613 records · Page 34

PQML: Enabling the Predictive Reproducibility on NISQ Machines for Quantum ML Applications

Quantum computing represents a groundbreaking approach to high-performance computing. In recent years, quantum computers have progressed from single-qubit processors to systems boasting over 400 qubits. The presence of such a large number of qubits offers significant advantages, including enhanced computational speed—a capability beyond classical computing methods. However, the current stage of quantum computing is referred to as the noisy intermediate-scale quantum (NISQ) era. The existence of noise in this era presents challenges in testing quantum computing applications, leading to considerable variance in application results. Furthermore, the diverse noise characteristics observed across different machines exacerbate this issue, complicating the selection of the appropriate machine for application execution. In response to these challenges, we introduce our Predictive Quantum Machine Learning (PQML) tool. This tool is designed to predict outcomes when executing identical quantum machine learning applications—specifically, a critical suite of variational quantum algorithms—across various quantum computers during the NISQ era. This effort relies on data collected over a 12-month period. To the best of our knowledge, this study represents the first attempt to ensure reproducibility across quantum computers for complex circuits. Additionally, we have developed a model capable of forecasting the accuracy of quantum computers for variational quantum algorithms, with a particular emphasis on quantum machine learning as a case study.

Senapati, Priyabrata [Kent State University]↗

Task 7: ADPAC User's Manual

The overall objective of this study was to develop a 3-D numerical analysis for compressor casing treatment flowfields. The current version of the computer code resulting from this study is referred to as ADPAC (Advanced Ducted Propfan Analysis Codes-Version 7). This report is intended to serve as a computer program user's manual for the ADPAC code developed under Tasks 6 and 7 of the NASA Contract. The ADPAC program is based on a flexible multiple- block grid discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. An iterative implicit algorithm is available for rapid time-dependent flow calculations, and an advanced two equation turbulence model is incorporated to predict complex turbulent flows. The consolidated code generated during this study is capable of executing in either a serial or parallel computing mode from a single source code. Numerous examples are given in the form of test cases to demonstrate the utility of this approach for predicting the aerodynamics of modem turbomachinery configurations.

Hall, E. J.↗

Learning energy-based representations of quantum many-body states

Efficient representation of quantum many-body states on classical computers is a problem of practical importance. An ideal representation of a quantum state combines a succinct characterization informed by the structure and symmetries of the system along with the ability to predict the physical observables of interest. Several machine-learning approaches have been recently used to construct such classical representations, which enable predictions of observables and account for physical symmetries. However, the structure of a quantum state typically gets lost unless a specialized is employed based on prior knowledge of the system. Moreover, most such approaches give no information about what states are easier to learn in comparison with others. Here, we propose a generative energy-based representation of quantum many-body states derived from Gibbs distributions used for modeling the thermal states of classical spin systems. Based on the prior information on a family of quantum states, the energy function can be specified by a small number of parameters using an explicit low-degree polynomial or a generic parametric family such as neural nets and can naturally include the known symmetries of the system. Our results show that such a representation can be efficiently learned from data using exact algorithms in a form that enables the prediction of expectation values of physical observables. Importantly, the structure of the learned energy function provides a natural explanation for the difficulty of learning an energy-based representation of a given class of quantum states when measured in a certain basis. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

InSight's Reconstructed Aerothermal Environments

The InSight Mars Lander successfully landed on the surface on November 26, 2018. This poster will describe the methodologies and margins used in developing the aerothermal environments for design of the thermal protection systems (TPS), as well as a prediction of as-flown environments based on the best estimated trajectory. The InSight mission spacecraft design approach included the effects of radiant heat flux to the aft body from the wake for the first time on a US Mars Mission, due to overwhelming evidence in ground testing for the European ExoMars mission (2009/2010) [1] and 2010 tests in the Electric Arc Shock Tube (EAST) facility [2]. The radiant energy on an aftbody was also recently confirmed via measurement on the Schiaparelli mission [3]. In addition, the InSight mission expected to enter the Mars atmosphere during the dust storm season, so the heatshield TPS was designed to accommodate the extra recession due to the potential dust impact. This poster will compare the predicted aerothermal environments using the reconstructed best estimated trajectory to the design environments. Design Approach: The InSight spacecraft was planned to be a near-design-to-print copy of the Phoenix spacecraft. The determination of the heatshield TPS requirements was approached as if it was a new design due to the new requirement of flying through a dust storm. The baseline for aftbody was build-to-print, and all analyses focused on ensuring adequate margin. This proved to be a challenge because the Phoenix aftbody was designed to withstand only convective heating and the InSight aftbody was evaluated for both convective and radiative heating. Aerothermal environments were predicted using the Langley Aerothermodynamic Upwind Relaxation Algorithm (LAURA) and the Data Parallel Line Relaxation (DPLR) CFD codes, and the Nonequilibrium Radiative Transport and Spectra Program (NEQAIR) utilizing bounding design trajectories derived from Monte Carlo analyses from the Program to Optimize Simulated Trajectories II (POST2). In all cases, super-catalytic flowfields were assigned to ensure the most conservative heating results. Two trajectories were evaluated: 1) the trajectory with the maximum heat flux was utilized to determine the flowfield characteristics and the viability of the selection of TPS materials; and 2) the trajectory with the maximum heat load was used to determine the required thicknesses of the TPS materials. Evaluation of the MEDLI data [4], along with ground test data [5] led to the determination of whether or not the flow would transition from laminar to turbulent on the heatshield, which also determined the TPS sizing location for the heatshield. Aerothermal margins were added for the convective heating and developed for the radiative heating. TPS material sizing was determined with the Reaction Kinetic Ablation Program (REKAP) and the Fully Implicit Ablation and Thermal Analysis program (FIAT) using a three-branched approach to account for aerothermal, material response, and material properties uncertainties. In addition, the heatshield recession was augmented by an analysis of the effect of entry through a potential dusty atmosphere using a methodology developed in References [6] and [7]. These analyses resulted in an increase to the Phoenix heatshield TPS thickness. Reconstruction Efforts: Once the best estimated trajectory is reconstructed by the team, the LAURA/HARA (High-Temperature Aerothermo-dynamic Radiation model) and DPLR/NEQAIR code pairs will be used to predict the as-flown aerothermal conditions. In these runs, fully-catalytic flowfields will be assigned because it is a more physically accurate description of the chemistry in the flow. Once again, determination of the onset of turbulence on the heatshield will be evaluated. The as-flown aerothermal environments will then be compared to the design environments.

Beck, R. A.↗

System identification and model reduction using modulating function techniques

Weighted least squares (WLS) and adaptive weighted least squares (AWLS) algorithms are initiated for continuous-time system identification using Fourier type modulating function techniques. Two stochastic signal models are examined using the mean square properties of the stochastic calculus: an equation error signal model with white noise residuals, and a more realistic white measurement noise signal model. The covariance matrices in each model are shown to be banded and sparse, and a joint likelihood cost function is developed which links the real and imaginary parts of the modulated quantities. The superior performance of above algorithms is demonstrated by comparing them with the LS/MFT and popular predicting error method (PEM) through 200 Monte Carlo simulations. A model reduction problem is formulated with the AWLS/MFT algorithm, and comparisons are made via six examples with a variety of model reduction techniques, including the well-known balanced realization method. Here the AWLS/MFT algorithm manifests higher accuracy in almost all cases, and exhibits its unique flexibility and versatility. Armed with this model reduction, the AWLS/MFT algorithm is extended into MIMO transfer function system identification problems. The impact due to the discrepancy in bandwidths and gains among subsystem is explored through five examples. Finally, as a comprehensive application, the stability derivatives of the longitudinal and lateral dynamics of an F-18 aircraft are identified using physical flight data provided by NASA. A pole-constrained SIMO and MIMO AWLS/MFT algorithm is devised and analyzed. Monte Carlo simulations illustrate its high-noise rejecting properties. Utilizing the flight data, comparisons among different MFT algorithms are tabulated and the AWLS is found to be strongly favored in almost all facets.

Shen, Yan↗

Assessing the Sampleability of Bennu’s Surface for the OSIRIS-REx Asteroid Sample Return Mission

NASA’s first asteroid sample return mission, OSIRIS-REx, collected a sample from the surface of near-Earth asteroid Bennu in October 2020 and will deliver it to Earth in September 2023. Selecting a sample collection site on Bennu’s surface was challenging due to the surprising lack of large ponded deposits of regolith particles exclusively fine enough (≤ 2 cm diameter) to be ingested by the spacecraft’s Touch-and-Go Sample Acquisition Mechanism (TAGSAM). Here we describe the Sampleability Map of Bennu, which was constructed to aid in the selection of candidate sampling sites and to estimate the probability of collecting sufficient sample. “Sampleability” is a numeric score that expresses the compatibility of a given area’s surface properties with the sampling mechanism. The algorithm that determines sampleability is a best fit functional form to an extensive suite of laboratory testing outcomes tracking the TAGSAM performance as a function of four observable properties of the target asteroid. The algorithm and testing were designed to measure and subsequently predict TAGSAM collection amounts as a function of the minimum particle size, maximum particle size, particle size frequency distribution, and the tilt of the TAGSAM head off the surface. The sampleability algorithm operated at two general scales, consistent with the resolution and coverage of data collected during the mission. The first scale was global and evaluated nearly the full surface. Due to Bennu’s unexpected boulder coverage and lack of ponded regolith deposits, the global sampleability efforts relied heavily on additional strategies to find and characterize regions of interest based on quantifying and avoiding areas heavily covered by material too large to be collected. The second scale was site-specific and used higher-resolution data to predict collected mass at a given contact location. The rigorous sampleability assessments gave the mission confidence to select the best possible sample collection site and directly enabled successful collection of hundreds of grams of material.

Asteroid exploration↗

Development of a Practical Methodology for Elastic-Plastic and Fully Plastic Fatigue Crack Growth

A practical engineering methodology has been developed to analyze and predict fatigue crack growth rates under elastic-plastic and fully plastic conditions. The methodology employs the closure-corrected effective range of the J-integral, delta J(sub eff) as the governing parameter. The methodology contains original and literature J and delta J solutions for specific geometries, along with general methods for estimating J for other geometries and other loading conditions, including combined mechanical loading and combined primary and secondary loading. The methodology also contains specific practical algorithms that translate a J solution into a prediction of fatigue crack growth rate or life, including methods for determining crack opening levels, crack instability conditions, and material properties. A critical core subset of the J solutions and the practical algorithms has been implemented into independent elastic-plastic NASGRO modules. All components of the entire methodology, including the NASGRO modules, have been verified through analysis and experiment, and limits of applicability have been identified.

McClung, R. C.↗

Development of a Practical Methodology for Elastic-Plastic and Fully Plastic Fatigue Crack Growth

A practical engineering methodology has been developed to analyze and predict fatigue crack growth rates under elastic-plastic and fully plastic conditions. The methodology employs the closure-corrected effective range of the J-integral, (Delta)J(sub eff), as the governing parameter. The methodology contains original and literature J and (Delta)J solutions for specific geometries, along with general methods for estimating J for other geometries and other loading conditions, including combined mechanical loading and combined primary and secondary loading. The methodology also contains specific practical algorithms that translate a J solution into a prediction of fatigue crack growth rate or life, including methods for determining crack opening levels, crack instability conditions, and material properties. A critical core subset of the J solutions and the practical algorithms has been implemented into independent elastic-plastic NASGRO modules. All components of the entire methodology, including the NASGRO modules, have been verified through analysis and experiment, and limits of applicability have been identified.

McClung, R. C.↗

A New Ensemble Canonical Correlation Prediction Scheme for Seasonal Precipitation

Department of Mathematical Sciences, University of Alberta, Edmonton, Canada This paper describes the fundamental theory of the ensemble canonical correlation (ECC) algorithm for the seasonal climate forecasting. The algorithm is a statistical regression sch eme based on maximal correlation between the predictor and predictand. The prediction error is estimated by a spectral method using the basis of empirical orthogonal functions. The ECC algorithm treats the predictors and predictands as continuous fields and is an improvement from the traditional canonical correlation prediction. The improvements include the use of area-factor, estimation of prediction error, and the optimal ensemble of multiple forecasts. The ECC is applied to the seasonal forecasting over various parts of the world. The example presented here is for the North America precipitation. The predictor is the sea surface temperature (SST) from different ocean basins. The Climate Prediction Center's reconstructed SST (1951-1999) is used as the predictor's historical data. The optimally interpolated global monthly precipitation is used as the predictand?s historical data. Our forecast experiments show that the ECC algorithm renders very high skill and the optimal ensemble is very important to the high value.

Kim, Kyu-Myong↗

Development of a Wake Vortex Spacing System for Airport Capacity Enhancement and Delay Reduction

The Terminal Area Productivity project has developed the technologies required (weather measurement, wake prediction, and wake measurement) to determine the aircraft spacing needed to prevent wake vortex encounters in various weather conditions. The system performs weather measurements, predicts bounds on wake vortex behavior in those conditions, derives safe wake spacing criteria, and validates the wake predictions with wake vortex measurements. System performance to date indicates that the potential runway arrival rate increase with Aircraft VOrtex Spacing System (AVOSS), considering common path effects and ATC delivery variance, is 5% to 12% depending on the ratio of large and heavy aircraft. The concept demonstration system, using early generation algorithms and minimal optimization, is performing the wake predictions with adequate robustness such that only 4 hard exceedances have been observed in 1235 wake validation cases. This performance demonstrates the feasibility of predicting wake behavior bounds with multiple uncertainties present, including the unknown aircraft weight and speed, weather persistence between the wake prediction and the observations, and the location of the weather sensors several kilometers from the approach location. A concept for the use of the AVOSS system for parallel runway operations has been suggested, and an initial study at the JFK International Airport suggests that a simplified AVOSS system can be successfully operated using only a single lidar as both the weather sensor and the wake validation instrument. Such a selfcontained AVOSS would be suitable for wake separation close to the airport, as is required for parallel approach concepts such as SOIA.

Hinton, David A.↗

Comparison of Cloud Detection Algorithms for Sentinel-2 Imagery

Accurate, automated cloud and cloud shadow detection is a key component of the processing needed to prepare optical satellite imagery for scientific analysis. Many existing cloud detection algorithms rely on temperature information to identify clouds, making detection difficult for imagers that lack a thermal band, like Sentinel-2. To get maximum benefit from Sentinel-2 products it is critical to understand which algorithms best identify clouds and their shadows in images. We examined the relative performance of five different cloud-masking algorithms (Sen2Cor, MAJA, LaSRC, Fmask and Tmask) in 6 Sentinel-2 scenes (28 total images) distributed across the Eastern Hemisphere. Expanding on these comparisons, we tested ensemble approaches to improve results. We tested three ensemble approaches to cloud and shadow classification based on the outputs of the five initial algorithms using the cloud masks in: (1) a majority prediction model; (2) a random forests model; and (3) a conditional logic model. Accuracy assessments show a trade-off between omission and commission errors in cloud detection for individual algorithms across all sites, and some algorithms are better at detecting either clouds or cloud shadows. No single algorithm outperforms the others for both clouds and shadows. Aggregating the results from multiple algorithms produces fewer undetected clouds and higher overall accuracy than any single algorithm, with as high as 2.7% improvement over the top-performing algorithm, suggesting an ensemble approach may be the most useful for processing of Sentinel-2 data.

Sentinel-2↗

Inferring fracture dilation and shear slip from surface deformation utilising trained surrogate models

An important task in energy and CO 2 storage (sequestration) in the subsurface is to verify that the surrounding fractures and faults are not activated, acting as leakage pathways. This is achievable through effective and efficient Measurement, Monitoring and Verification (MMV) plans. In this work, two surrogate models are trained to captures dilation (opening) and shear deformation of fractures, and the associated surface deformation. The trained surrogate model, based on conditional Generative-Adversarial Networks (cGAN) receives fracture apertures from dilational fractures together with fracture slips from shear fractures and predicts the combined surface deformation. An inversion algorithm based on Bayesian framework is proposed to identify the geometry of both types of fractures, as well as volume of dilational fractures and deformation moment induced by shear fractures, all from the measured surface deformation data. The inversion algorithm utilises the Differential Evolution (DE) optimisation technique that has the superior performance in finding the global minimum of cost function. The proposed surrogate-assisted inversion successfully inferred the unknown dip, dip direction and the volume of the dilational fractures as well as the induced deformation moment in shear fractures. The model was further tested for the inversion of a field hydraulic fracturing tilt dataset applying different scenarios with varying unknowns to show the model's performance, as well as incorporating shear deformation for better match with the observed data.

Dilation and shear↗

UCB-GLOBES: An open-access mass spectral database of identified and unidentified atmospheric organic compounds

Chemical characterization of atmospheric organic aerosols using gas chromatography with 70 eV electron ionization mass spectrometry (GC/EI-MS) has been used for decades in advancing molecular marker detection and identification, though primarily through suspect screening and/or targeted analyses. To advance non-targeted analyses of environmental samples, we have catalogued approximately 27 000 mass spectra (MS) of the trimethylsilyl derivatives of semi-volatile organic aerosol (OA) analytes in the open-access University of California Berkeley Goldstein Library of Organic Biogenic Environmental Spectra (UCB-GLOBES). Analytes were observed in ambient samples from the U.S. and the Central Amazon and/or laboratory simulations of secondary OA (SOA) formation. These samples are representative of OA under urban and biomass burning influences as well as SOA derived from biogenic precursors (e.g., isoprene, monoterpenes, sesquiterpenes) and biomass burning intermediates. MS are documented in UCB-GLOBES without regard to known chemical identity, annotated with extensive metadata such as sample source/experimental conditions, any structural information gained from MS analyses, and predicted chemical properties such as average carbon oxidation state and carbon number. UCB-GLOBES MS are compatible for importing into the NIST MS Search program, and we have also provided a Jupyter Notebook for MS visualization and comparisons. We demonstrate the utility of UCB-GLOBES through MS reanalyses of prior analytes observed in ambient data, finding a 20 % reduction in the number of analytes assigned to OA source categories reliant solely on time series correlation and an overall 11 % increase in new MS-based OA source categorization for the Southeast U.S. For 1513 analytes observed previously in the Central Amazon, we found 375 MS matches using UCB-GLOBES vs. 136 MS matches during prior analyses, representing a 14 % gain in newly confirmed or newly categorized OA species. While OA from laboratory oxidation experiments in UCB-GLOBES are highly diverse chemically, on average only 29 % of UCB-GLOBES MS have a mass spectral match to another MS entry in UCB-GLOBES and/or in databases of known compounds (i.e. NIST MS Database, Adams Essential Oil, MANE Flavor and Fragrance Company). This indicates that roughly 70 % of UCB-GLOBES MS are unique thus far, not observed more than once among the laboratory oxidation samples and ambient data in UCB-GLOBES MS. Further, only 18 % can be positively identified using these databases or known authentic standards. This points to a large gap between these laboratory simulations and ambient OA. Overall, the UCB-GLOBES database can be utilized for improving confidence in OA source categorization and/or identification, novel chemical marker discovery, tracking chemical diversity, de novo structure and properties prediction, and improving MS search and matching algorithms. This can ultimately inform future research priorities for the chemical characterization of atmospheric organic samples.

Mass spectrometry↗

NASA/MSFC multilayer diffusion models and computer programs, version 5

The transport and diffusion models and algorithms developed for use by NASA in predicting concentrations and dosages downwind from normal and abnormal launches of rocket vehicles are described along with the associated computer programs for use in performing the calculations. Topics discussed include: the mathematical specifications and procedures used in the Preprocessor Program to calculate rocket exhaust cloud rise, cloud dimensions, and other input parameters to the transport and diffusion models; the revised mathematical specifications for the Multilayer Diffusion Models; users' instructions for implementing the Preprocessor and Multilayer Diffusion Models Programs; and worked example problems illustrating the use of the models and computer programs.

Dumbauld, R. K.↗

Algorithm for calculating turbine cooling flow and the resulting decrease in turbine efficiency

An algorithm is presented for calculating both the quantity of compressor bleed flow required to cool the turbine and the decrease in turbine efficiency caused by the injection of cooling air into the gas stream. The algorithm, which is intended for an axial flow, air routine in a properly written thermodynamic cycle code. Ten different cooling configurations are available for each row of cooled airfoils in the turbine. Results from the algorithm are substantiated by comparison with flows predicted by major engine manufacturers for given bulk metal temperatures and given cooling configurations. A list of definitions for the terms in the subroutine is presented.

Gauntner, J. W.↗

Evaluation of a simplified gross thrust calculation method for a J85-21 afterburning turbojet engine in an altitude facility

A simplified gross thrust calculation method was evaluated on its ability to predict the gross thrust of a modified J85-21 engine. The method used tailpipe pressure data and ambient pressure data to predict the gross thrust. The method's algorithm is based on a one-dimensional analysis of the flow in the afterburner and nozzle. The test results showed that the method was notably accurate over the engine operating envelope using the altitude facility measured thrust for comparison. A summary of these results, the simplified gross thrust method and requirements, and the test techniques used are discussed in this paper.

Baer-Riedhart, J. L.↗

An architecture for intelligent interfaces - Outline of an approach to supporting operators of complex systems

The conceptual design of a comprehensive support system for operators of complex systems is presented. Key functions within the support system architecture include information management, error monitoring, and adaptive aiding. One of the central knowledge bases underlying this functionality is an operator model that involves a 'matrix' of algorithmic and symbolic models for assessing and predicting an operator's activities, awareness resources, intentions, and performance. Functional block diagrams are presented for the overall architecture as well as the key elements within this architecture. A variety of difficult design issues are discussed and ongoing efforts aimed at resolving these issues are noted.

Rouse, W. B.↗

An efficient algorithm for computing the crossovers in satellite altimetry

An efficient algorithm has been devised to compute the crossovers in satellite altimetry. The significance of the crossovers is twofold. First, they are needed to perform the crossover adjustment to remove the orbit error. Secondly, they yield important insight into oceanic variability. Nevertheless, there is no published algorithm to make this very time consuming task easier, which is the goal of this report. The success of the algorithm is predicated on the ability to predict (by analytical means) the crossover coordinates to within 6 km and 1 sec of the true values. Hence, only one interpolation/extrapolation step on the data is needed to derive the crossover coordinates in contrast to the many interpolation/extrapolation operations usually needed to arrive at the same accuracy level if deprived of this information.

Tai, Chang-Kou↗