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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Experimental validation of docking and capture using space robotics testbeds

This presentation describes the application of robotic and computer vision systems to validate docking and capture operations for space cargo transfer vehicles. Three applications are discussed: (1) air bearing systems in two dimensions that yield high quality free-flying, flexible, and contact dynamics; (2) validation of docking mechanisms with misalignment and target dynamics; and (3) computer vision technology for target location and real-time tracking. All the testbeds are supported by a network of engineering workstations for dynamic and controls analyses. Dynamic simulation of multibody rigid and elastic systems are performed with the TREETOPS code. MATRIXx/System-Build and PRO-MATLAB/Simulab are the tools for control design and analysis using classical and modern techniques such as H-infinity and LQG/LTR. SANDY is a general design tool to optimize numerically a multivariable robust compensator with a user-defined structure. Mathematica and Macsyma are used to derive symbolically dynamic and kinematic equations.

Spofford, John↗
NASA NTRS2019

Measurement of CH3D on Titan at Submillimeter Wavelengths

We present the first radio/submillimeter detection of monodeuterated methane (CH3D) in Titan's atmosphere, using archival data from of the Atacama Large Millimeter/submillimeter Array (ALMA). The J (sub K) equals 2 (sub 1) minus 1 (sub 1) and J (sub K) equals 2 (sub 0) minus 1 (sub 0) transitions at 465.235 and 465.250 gigahertz (approximately 0.644 millimeters) were measured at significance levels of 4.6 sigma and 5.7 sigma, respectively. These two lines were modeled using the Non-linear optimal Estimator for MultivariatE spectral analySIS (NEMESIS) radiative transfer code to determine the disk-averaged CH3D volume mixing ratio equals 6.157 times 10 (sup minus 6) in Titan's stratosphere (at altitudes greater than 130 kilometers). By comparison with the CH4 vertical abundance profile measured by Cassini-Huygens mass spectrometry, the resulting value for D/H in CH4 is (1.033 plus or minus 0.081) times 10 (sup minus 4). This is consistent with previous ground-based and in situ measurements from the Cassini-Huygens mission, though slightly lower than the average of the previous values. Additional CH3D observations at higher spatial resolution will be required to determine a value truly comparable with the Cassini-Huygens CH4 measurements, by measuring CH3D with ALMA close to Titan's equator. In the post-Cassini era, spatially resolved observations of CH3D with ALMA will enable the latitudinal distribution of methane to be determined, making this an important molecule for further studies.

Thelen, Alexander E.↗
NASA NTRS2022

New Constraints on Titan's Stratospheric n-Butane Abundance

Curiously, n-butane has yet to be detected at Titan, though it is predicted to be present in a wide range of abundances that span over 2.5 orders of magnitude. We have searched infrared spectroscopic observations of Titan for signals from n-butane (n-C4H10) in Titan's stratosphere. Three sets of Cassini Composite Infrared Spectrometer Focal Plane 4 (1050–1500 cm−1) observations were selected for modeling, having been collected from different flybys and pointing latitudes. We modeled the observations with the Nonlinear Optimal Estimator for MultivariatE Spectral AnalySIS radiative transfer tool. Temperature profiles were retrieved for each of the data sets by modeling the ν4 emission from methane near 1305 cm−1. Then, incorporating the temperature profiles, we retrieved abundances of all of Titan's known trace gases that are active in this spectral region, reliably reproducing the observations. We then systematically tested a set of models with varying abundances of n-butane, investigating how the addition of this gas affected the fits. We did this for several different photochemically predicted abundance profiles from the literature, as well as for a constant-with-altitude profile. Ultimately, though we did not produce any firm detection of n-butane, we derived new upper limits on its abundance specific to the use of each profile and to multiple different ranges of stratospheric altitudes. These results will tightly constrain the C4 chemistry of future photochemical modeling of Titan's atmosphere and also motivate the continued search for n-butane and its isomer, isobutane.

Brendan L. Steffens↗
NASA NTRS1982

Solution of nonlinear multivariable constrained systems using a gradient projection digital algorithm that is insensitive to the initial state

Optimal digital control of nonlinear multivariable constrained systems was studied. The optimal controller in the form of an algorithm was improved and refined by reducing running time and storage requirements. A particularly difficult system of nine nonlinear state variable equations was chosen as a test problem for analyzing and improving the controller. Lengthy analysis, modeling, computing and optimization were accomplished. A remote interactive teletype terminal was installed. Analysis requiring computer usage of short duration was accomplished using Tuskegee's VAX 11/750 system.

Hargrove, A.↗
DOE OSTI2025

Monitoring Sulfuric Acid and Temperature Using Raman Spectroscopy and Multivariate Chemometrics

Multivariate regression models were optimized for the quantification of sulfuric acid (H 2 SO 4 ) [0–8 M] and temperature (20 °C–80 °C) in the presence of ammonium sulfate ((NH 4 ) 2 SO 4 [0–0.6 M]) using Raman spectroscopy. Optical vibrational spectroscopy is a useful nondestructive technique for the in situ analysis of complex chemical systems notoriously difficult to monitor in situ and in real-time. Multivariate analysis, a chemometrics method, can be paired with these nondestructive optical methods for determining analyte concentration and speciation in complex solutions, such as dissociated species in polyprotic acids, e.g., H 2 SO 4 . The effect of temperature is often overlooked although it can have a major influence on speciation and the corresponding Raman spectra. Here, in this study, partial least squares regression models were optimized for the quantification of H 2 SO 4 and its two deprotonated forms as a function of temperature. Measuring bisulfate as a function of temperature is particularly challenging owing to changes in the second dissociation constant. A designed training set effectively minimized the sample set size and trained a robust predictive model with percent root mean square error of <3% for H 2 SO 4 . The practical strategy employed here was demonstrated to be effective for building chemometric models that directly account for dynamic temperatures with static samples and is shown to be amenable to flow cell analysis applications with a simple calibration transfer for process monitoring applications.

D-optimal design↗
DOE OSTI2024

Market optimization and technoeconomic analysis of hydrogen-electricity coproduction systems

Decarbonization efforts across North America, Europe, and beyond rely on variable renewable energy sources such as wind and solar, as well as alternative fuels, such as hydrogen, to support the sustainable energy transition. These advancements have prompted a need for more flexibility in the electric grid to complement non-dispatchable energy sources and increased demand from electrification. Integrated energy systems are well suited to provide this flexibility, but conventional technoeconomic modeling paradigms neglect the time-varying dynamic nature of the grid and thus undervalue resource flexibility. In this work, we develop a computational optimization framework for dynamic market-based technoeconomic comparison of integrated energy systems that coproduce low-carbon electricity and hydrogen (e.g., solid oxide fuel cells, solid oxide electrolysis) against technologies that only produce electricity (e.g., natural gas combined cycle with carbon capture) or only produce hydrogen. Our framework starts with rigorous physics-based process models, built in the open-source Institute for the Design of Advanced Energy Systems (IDAES) modeling and optimization platform, for six energy process concepts. Using these rigorous models and a workflow to optimally design each technology, the framework is shown to be capable of evaluating new and emerging technologies in varying energy markets under a plethora of future scenarios (i.e., renewables penetration, carbon tax, etc.). Ultimately, our framework finds that solid oxide fuel cell-based coproduction systems achieve positive profits for 85% of the analyzed market scenarios. From these market optimization results, we use multivariate linear regression (R 2 values up to 0.99) to determine which electricity price statistics are most significant to predict the optimized annual profit of each system. The proposed framework provides a powerful tool for directly comparing flexible, multi-product energy process concepts to help discern optimal technology and integration options.

08 HYDROGEN↗
DOE OSTI2023

Efficient GPU Implementation of Automatic Differentiation for Computational Fluid Dynamics

Many scientific and engineering applications require repeated calculations of derivatives of output functions with respect to input parameters. Automatic Differentiation (AD) is a method that automates derivative calculations and can significantly speed up code development. In Computational Fluid Dynamics (CFD), derivatives of flux functions with respect to state variables (Jacobian) are needed for efficient solutions of the nonlinear governing equations. AD of flux functions on graphics processing units (GPUs) is challenging as flux computations involve many intermediate variables that create high register pressure and require significant memory traffic because of the need to store the derivatives. This paper presents a forward-mode AD method based on multivariate dual numbers that addresses these challenges and simultaneously reduces the floating-point operation count. The dimension of the multivariate dual numbers is optimized for performance. The flux computations are restructured to minimize the number of temporary variables and reduce register pressure. For effective utilization of memory bandwidth, shared memory is used to store the local flux Jacobian. This AD implementation is compared with several other Jacobian implementations on an NVIDIA V100 GPU (V100). For three-dimensional perfect-gas compressible-flow equations implemented in a practical CFD code, the AD implementation of a flux Jacobian based on multivariate dual numbers of dimension 5 outperforms all other GPU AD implementations on V100. Its performance is comparable with the optimized hand-differentiated version. Finally, the implementation achieves 75% of the peak floating-point throughput and 61 % of the peak global device memory bandwidth usage.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1985

Analysis/forecast experiments with a multivariate statistical analysis scheme using FGGE data

A three-dimensional, multivariate, statistical analysis method, optimal interpolation (OI) is described for modeling meteorological data from widely dispersed sites. The model was developed to analyze FGGE data at the NASA-Goddard Laboratory of Atmospherics. The model features a multivariate surface analysis over the oceans, including maintenance of the Ekman balance and a geographically dependent correlation function. Preliminary comparisons are made between the OI model and similar schemes employed at the European Center for Medium Range Weather Forecasts and the National Meteorological Center. The OI scheme is used to provide input to a GCM, and model error correlations are calculated for forecasts of 500 mb vertical water mixing ratios and the wind profiles. Comparisons are made between the predictions and measured data. The model is shown to be as accurate as a successive corrections model out to 4.5 days.

Baker, W. E.↗
DOE OSTI2024

Rapid measurement of soluble xylo-oligomers using near-infrared spectroscopy (NIRS) and multivariate statistics: calibration model development and practical approaches to model optimization

Rapid monitoring of biomass conversion processes using techniques such as near-infrared (NIR) spectroscopy can be substantially quicker and less labor-, resource-, and energy-intensive than conventional measurement techniques such as gas or liquid chromatography (GC or LC) due to the lack of solvents and preparation methods, as well as removing the need to transfer samples to an external lab for analytical evaluation. The purpose of this study was to determine the feasibility of rapid monitoring of a biomass conversion process using NIR spectroscopy combined with multivariate statistical modeling, and to examine the impact of (1) subsetting the samples in the original dataset by process location and (2) reducing the spectral range used in the calibration model on model performance. We develop multivariate calibration models for the concentrations of soluble xylo-oligosaccharides (XOS), monomeric xylose, and total solids at multiple points in a biomass conversion process which produces and then purifies XOS compounds from sugar cane bagasse. A single model using samples from multiple locations in the process stream showed acceptable performance as measured by standard statistical measures. However, compared to the single model, we show that separate models built by segregating the calibration samples according to process location show improved performance. We also show that combining an understanding of the sample spectra with simple multivariate analysis tools can result in a calibration model with a substantially smaller spectral range that provides essentially equal performance to the full-range model. We demonstrate that real-time monitoring of soluble xylo-oligosaccharides (XOS), monomeric xylose, and total solids concentration at multiple points in a process stream using NIR spectroscopy coupled with multivariate statistics is feasible. Segregation of sample populations by process location improves model performance. Models using a reduced spectral range containing the most relevant spectral signatures show very similar performance to the full-range model, reinforcing the importance of performing robust exploratory data analysis before beginning multivariate modeling.

09 BIOMASS FUELS↗
DOE OSTI2022

Applicability study of Bayesian optimization in core neutronic design using a toy model

At the Japan Atomic Energy Agency (JAEA), an innovative design approach named ARKADIA (Advanced Reactor Knowledge- and AI-aided Design Integration Approach through the whole plant life cycle) for advanced nuclear reactors is currently under development. One task in ARKADIA is to build a system that automatically optimizes core and fuel designs by conducting core neutronic and thermal-hydraulic calculations, fuel integrity evaluations, and plant dynamic analyses. This system will be implemented to automatically find an optimal design that minimizes (or maximizes) objective function defined by core performance while varying the core and fuel design parameters such as fuel pin diameter, core height and diameter. In this study, as the first step of system development, we focused only on core neutronic design and conducted a study of automatic optimization. As the optimization algorithm, Bayesian optimization (BO), an effective method for optimization problems with expensive computational cost of objective function, was utilized. The applicability of BO was studied based on single- and two-objective optimization examples of core neutronic design in a toy model. As a result, in the former, it was shown that BO can give the optimal solution, which matches the reference solution calculated by a brute force calculation well, with a small number of required calculations. Usability on core neutronic designs, where the computational cost per case is high, was confirmed. In the latter, it was found that BO can give a Pareto solutions-set that shows good agreement with the reference solution. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Bayesian projection pursuit regression

In projection pursuit regression (PPR), a univariate response variable is approximated by the sum of $M$ “ridge functions,” which are flexible functions of one-dimensional projections of a multivariate input variable. Traditionally, optimization routines are used to choose the projection directions and ridge functions via a sequential algorithm, and $M$ is typically chosen via cross-validation. Here, we introduce a novel Bayesian version of PPR, which has the benefit of accurate uncertainty quantification. To infer appropriate projection directions and ridge functions, we apply novel adaptations of methods used for the single ridge function case ($M$=1), called the Bayesian Single Index Model; and use a Reversible Jump Markov chain Monte Carlo algorithm to infer the number of ridge functions $M$. We evaluate the predictive ability of our model in 20 simulated scenarios and for 23 real datasets, in a bake-off against an array of state-of-the-art regression methods. Finally, we generalize this methodology and demonstrate the ability to accurately model multivariate response variables. Its effective performance indicates that Bayesian Projection Pursuit Regression is a valuable addition to the existing regression toolbox.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Total energy control system autopilot design with constrained parameter optimization

A description is given of the application of a multivariable control design method (SANDY) based on constrained parameter optimization to the design of a multiloop aircraft flight control system. Specifically, the design method is applied to the direct synthesis of a multiloop AFCS inner-loop feedback control system based on total energy control system (TECS) principles. The design procedure offers a structured approach for the determination of a set of stabilizing controller design gains that meet design specifications in closed-loop stability, command tracking performance, disturbance rejection, and limits on control activities. The approach can be extended to a broader class of multiloop flight control systems. Direct tradeoffs between many real design goals are rendered systematic by proper formulation of the design objectives and constraints. Satisfactory designs are usually obtained in few iterations. Performance characteristics of the optimized TECS design have been improved, particularly in the areas of closed-loop damping and control activity in the presence of turbulence.

Ly, Uy-Loi↗
DOE OSTI2023

Search for top squarks in the four-body decay mode with single lepton final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for the pair production of the lightest supersymmetric partner of the top quark, the top squark ($ {\overset{\sim }{\textrm{t}}}_1 $), is presented. The search targets the four-body decay of the $ {\overset{\sim }{\textrm{t}}}_1 $, which is preferred when the mass difference between the top squark and the lightest supersymmetric particle is smaller than the mass of the W boson. This decay mode consists of a bottom quark, two other fermions, and the lightest neutralino ($ {\overset{\sim }{\chi}}_1^0 $), which is assumed to be the lightest supersymmetric particle. The data correspond to an integrated luminosity of 138 fb$^{−1}$ of proton-proton collisions at a center-of-mass energy of 13 TeV collected by the CMS experiment at the CERN LHC. Events are selected using the presence of a high-momentum jet, an electron or muon with low transverse momentum, and a significant missing transverse momentum. The signal is selected based on a multivariate approach that is optimized for the difference between m($ {\overset{\sim }{\textrm{t}}}_1 $) and m($ {\overset{\sim }{\chi}}_1^0 $). The contribution from leading background processes is estimated from data. No significant excess is observed above the expectation from standard model processes. The results of this search exclude top squarks at 95% confidence level for masses up to 480 and 700 GeV for m($ {\overset{\sim }{\textrm{t}}}_1 $) − m($ {\overset{\sim }{\chi}}_1^0 $) = 10 and 80 GeV, respectively.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Partial Least Squares, Experimental Design, and Near-Infrared Spectrophotometry for the Remote Quantification of Nitric Acid Concentration and Temperature

Near-infrared spectrophotometry and partial least squares regression (PLSR) were evaluated to create a pleasantly simple yet effective approach for measuring HNO3 concentration with varying temperature levels. A training set, which covered HNO3 concentrations (0.1–8 M) and temperature (10–40 °C), was selected using a D-optimal design to minimize the number of samples required in the calibration set for PLSR analysis. The top D-optimal-selected PLSR models had root mean squared error of prediction values of 1.4% for HNO 3 and 4.0% for temperature. The PLSR models built from spectra collected on static samples were validated against flow tests including HNO 3 concentration and temperature gradients to test abnormal conditions (e.g., bubbles) and the model performance between sample points in the factor space. Based on cross-validation and prediction modeling statistics, the designed near-infrared absorption approach can provide remote, quantitative analysis of HNO 3 concentration and temperature for production-oriented applications in facilities where laser safety challenges would inhibit the implementation of other optical techniques (e.g., Raman spectroscopy) and in which space, time, and/or resources are constrained. The experimental design approach effectively minimized the number of samples in the training set and maintained or improved PLSR model performance, which makes the described chemometric approach more amenable to nuclear field applications.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1981

An algorithm for the rapid location of an extreme of a function subject only to geometric restrictions

The requirements of symmetry and convexity in the application of algorithms for the minimization or maximization of a function are discussed. It is argued that if a function of a single variable is convex and symmetric in a neighborhood of an extremum, the extremum may be approximated to the precision that increases by at least a power of two per functional evaluation. The procedure may be used to drive a complex optimization procedure in the multivariate area estimation problem encountered in remote sensing.

Terrell, G. R.↗
NASA NTRS1983

Dynamics and control of forward swept wing aircraft

Aspects of non-zero differential game theory with application to multivariable control synthesis and optimal linear control law design using optimum parameter sensitivity analysis are discussed.

Schmidt, D. K.↗