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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microkinetic Modeling: A Tool for Rational Catalyst Design

The design of heterogeneous catalysts relies on understanding the fundamental surface kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help the researcher in streamlining the process of catalyst design. Microkinetic modeling is used to identify critical reaction intermediates and rate-determining elementary reactions, thereby providing vital information for designing an improved catalyst. In this review, we summarize general procedures for developing microkinetic models using reaction kinetics parameters obtained from experimental data, theoretical correlations, and quantum chemical calculations. We examine the methods required to ensure the thermodynamic consistency of the microkinetic model. We describe procedures required for parameter adjustments to account for the heterogeneity of the catalyst and the inherent errors in parameter estimation. We discuss the analysis of microkinetic models to determine the rate determining reactions using the degree of rate control and reversibility of each elementary reaction. We introduce incorporation of Brønsted–Evans–Polanyi relations and scaling relations in microkinetic models and the effects of these relations on catalytic performance and formation of volcano curves. We review the analysis of reaction schemes in terms of the maximum rate of elementary reactions, and we outline a procedure to identify kinetically significant transition states and adsorbed intermediates. Here, we explore the application of generalized rate expressions for the prediction of optimal binding energies of important surface intermediates and to estimate the extent of potential rate improvement. We also explore the application of microkinetic modeling in homogeneous catalysis, electro-catalysis, and transient reaction kinetics. We conclude by highlighting the challenges and opportunities in the application of microkinetic modeling for catalyst design.

42 ENGINEERING↗
NASA NTRS2001

Reliability Analysis and Reliability-Based Design Optimization of Circular Composite Cylinders Under Axial Compression

This report describes the preliminary results of an investigation on component reliability analysis and reliability-based design optimization of thin-walled circular composite cylinders with average diameter and average length of 15 inches. Structural reliability is based on axial buckling strength of the cylinder. Both Monte Carlo simulation and First Order Reliability Method are considered for reliability analysis with the latter incorporated into the reliability-based structural optimization problem. To improve the efficiency of reliability sensitivity analysis and design optimization solution, the buckling strength of the cylinder is estimated using a second-order response surface model. The sensitivity of the reliability index with respect to the mean and standard deviation of each random variable is calculated and compared. The reliability index is found to be extremely sensitive to the applied load and elastic modulus of the material in the fiber direction. The cylinder diameter was found to have the third highest impact on the reliability index. Also the uncertainty in the applied load, captured by examining different values for its coefficient of variation, is found to have a large influence on cylinder reliability. The optimization problem for minimum weight is solved subject to a design constraint on element reliability index. The methodology, solution procedure and optimization results are included in this report.

Rais-Rohani, Masoud↗
DOE OSTI2026

Machine Learning Enabled Position Detection for 6.78 MHz UAV Wireless Power Transfer System

This paper presents a novel supervised machine learning (SML) approach for accurate position detection of the receiver coil in wireless power transfer (WPT) systems using only secondary-side electrical measurements, with applications in autonomous unmanned aerial vehicle (UAV) charging. The proposed method trains a supervised learning model to map measured secondary-side voltage and current features to the receiver’s spatial position with high precision. This enables an autonomous UAV to determine its location relative to the primary coil center, the optimal position for maximizing wireless charging efficiency. The sensing method is fully integrated into a standard WPT system, utilizing the same primary and secondary coils for both power transfer and position detection, thereby eliminating additional sensing hardware. The use of a 6.78 MHz operating frequency enhances positional sensitivity, as high-frequency near-field electromagnetic fields respond strongly to small spatial variations. Experimental validation is performed on a 30 W scaled prototype featuring a 210 mm × 140 mm primary coil, a 50 mm × 80 mm receiver coil, and a 15 mm air gap. Results demonstrate reliable position estimation and a strong correlation between predicted position and optimal coil alignment. This integrated framework unifying position detection and wireless charging offers a promising foundation for future autonomous electric vertical takeoff and landing (eVTOL) systems, enabling compact, hardware-efficient, and high-accuracy charging solutions.

Colak, Kerim [New York University]↗
DOE OSTI2021

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants: Model-Predictive Control Library Development (Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model predictive control (MPC) library for implementing MPC for a general dynamic system. The library is implemented in a standardized manner in Matlab/Simulink, where core functions on model prediction, linearization and formulation and solution of a quadratic programming (QP) optimization problem is done in the core library - independent of the specific application. The user can provide the application-specific dynamic model in continuous and discrete time, to rapidly implement and test the MPC performance in a desktop simulation. The MPC optimization objective and constraints are also easily configured via an Excel file to allow iterative refinement as needed. Finally, the MPC library enables a rapid deployment to a target environment through auto C-code generation and containerization. The MPC library works seamlessly with the model based estimation (MBE) library to obtain the overall output feedback control solution. In this program, the reduced order model (ROM) of a coal-fired power plant (CFPP) is used to implement and test the MPC solution.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2018

Assessment and Verification of SLS Block 1-B Exploration Upper Stage State and Stage Disposal Performance

One of the SLS Navigation System's key performance requirements is a constraint on the payload system's delta-v allocation to correct for insertion errors due to vehicle state uncertainty at payload separation. The SLS navigation team has developed a Delta-Delta-V analysis approach to assess the effect on trajectory correction maneuver (TCM) design needed to correct for navigation errors. This approach differs from traditional covariance analysis based methods and makes no assumptions with regard to the propagation of the state dynamics. This allows for consideration of non-linearity in the propagation of state uncertainties. The Delta-Delta-V analysis approach re-optimizes perturbed SLS mission trajectories by varying key mission states in accordance with an assumed state error. The state error is developed from detailed vehicle 6-DOF Monte Carlo analysis or generated using covariance analysis. These perturbed trajectories are compared to a nominal trajectory to determine necessary TCM design. To implement this analysis approach, a tool set was developed which combines the functionality of a 3-DOF trajectory optimization tool, Copernicus, and a detailed 6-DOF vehicle simulation tool, Marshall Aerospace Vehicle Representation in C (MAVERIC). In addition to delta-v allocation constraints on SLS navigation performance, SLS mission requirement dictate successful upper stage disposal. Due to engine and propellant constraints, the SLS Exploration Upper Stage (EUS) must dispose into heliocentric space by means of a lunar fly-by maneuver. As with payload delta-v allocation, upper stage disposal maneuvers must place the EUS on a trajectory that maximizes the probability of achieving a heliocentric orbit post Lunar fly-by considering all sources of vehicle state uncertainty prior to the maneuver. To ensure disposal, the SLS navigation team has developed an analysis approach to derive optimal disposal guidance targets. This approach maximizes the state error covariance prior to the maneuver to develop and re-optimize a nominal disposal maneuver (DM) target that, if achieved, would maximize the potential for successful upper stage disposal. For EUS disposal analysis, a set of two tools was developed. The first considers only the nominal pre-disposal maneuver state, vehicle constraints, and an a priori estimate of the state error covariance. In the analysis, the optimal nominal disposal target is determined. This is performed by re-formulating the trajectory optimization to consider constraints on the eigenvectors of the error ellipse applied to the nominal trajectory. A bisection search methodology is implemented in the tool to refine these dispersions resulting in the maximum dispersion feasible for successful disposal via lunar fly-by. Success is defined based on the probability that the vehicle will not impact the lunar surface and will achieve a characteristic energy (C3) relative to the Earth such that it is no longer in the Earth-Moon system. The second tool propagates post-disposal maneuver states to determine the success of disposal for provided trajectory achieved states. This is performed using the optimized nominal target within the 6-DOF vehicle simulation. This paper will discuss the application of the Delta-Delta-V analysis approach for performance evaluation as well as trajectory re-optimization so as to demonstrate the system's capability in meeting performance constraints. Additionally, further discussion of the implementation of assessing disposal analysis will be provided.

Patrick, Sean↗
DOE OSTI2023

Network-Wide Traffic Signal Control Using Bilinear System Modeling and Adaptive Optimization

This study proposes a new multi-input multi-output optimal bilinear signal control method in which a bilinear dynamic model approximation is used to capture the nonlinear dynamics of the urban traffic networks. With signal green time splits as the control input and traffic delay changes as the output for each intersections in the network, a bilinear system model was developed, which, on the basis of linear system modeling, takes interactions among traffic delays and signal timing splits into consideration. Based on the bilinear system modeling framework, we conducted two steps in each time interval to derive traffic control strategies: (1) we used the normalized least-squared algorithm to estimate system parameters; and (2) we solved an online optimization problem to obtain the updated traffic control inputs for the signal timing that minimizes future traffic delays. We evaluated the proposed method in a microscopic traffic simulation environment (VISSIM) with a 35-intersection network of Bellevue city in Washington. Two different traffic demand patterns: (1) normal traffic demands; and (2) time-varying traffic demands were simulated to compare the performance of different control strategies. Experimental results show that (1) the proposed bilinear system model can better describe traffic system dynamics than linear-model based methods, such as our previously developed linear-quadratic regulator control; and (2) the proposed method outperforms the state-of-the-art signal control strategies, namely the max-pressure and the self-organizing traffic light control methods. We have also shown that the proposed method is applicable to all other possible network layouts and signal controller phasing structures.

42 ENGINEERING↗
NASA NTRS2012

Design and Performance of Lift-Offset Rotorcraft for Short-Haul Missions

The design and performance of compound helicopters utilizing lift-offset rotors are examined, in the context of short-haul, medium-size civil and military missions. The analysis tools used are the comprehensive analysis CAMRAD II and the sizing code NDARC. Following correlation of the comprehensive analysis with existing lift-offset aircraft flight test data, the rotor performance model for the sizing code was developed, and an initial estimate was made of the rotor size and key hover and cruise flight conditions. The rotor planform and twist were optimized for those conditions, and the sizing code rotor performance model updated. Two models for estimating the blade and hub weight of lift-offset rotors are discussed. The civil and military missions are described, along with the aircraft design assumptions. The aircraft are sized for 30 passengers or 6600 lb payload, with a range of 300 nm. Civil and military aircraft designs are described for each of the rotor weight models. Disk loading and blade loading were varied to optimize the designs, based on gross weight and fuel burn. The influence of technology is shown, in terms of rotor hub drag and rotor weight.

Johnson, Wayne↗
DOE OSTI2024

Optimized Viewing Techniques to Minimize Radiation Damage From X-ray Imaging Systems

X-ray inspection of ball grid arrays (BGAs) is typically performed at one or more viewing angles to examine adhesion sites for errors such as voids, joint cracking, or head-in-pillow. During this inspection process, the cir cuit board assembly is subject to ionizing radiation exposure, which can cause trapped charge within oxide layers of semiconductor devices. Some x-ray machines allow for programmable inspection routines, which could be used to optimize radiation exposure to semiconductor components. Using Monte Carlo methods, x-ray inspection of a BGA was simulated to determine a range of acceptable viewing angles. Dose rates to circuit board components were estimated at each inspection angle to determine the view resulting in optimized radiation exposure. Results showed that for each BGA, the maximum unobstructed viewing times without exceeding a 5 Gy dose limit to a single part ranged from 82 to 94 minutes. Using a radiation cost function method, optimized viewing across all components was found. Here, it was observed that for a consistent dose limit applied to silicon-based components, performing inspection with BGAs facing the x-ray source was optimal. A third method was applied, assigning individual dose limits based on empirical data from the NASA Goddard Space Flight Center radiation database. This method showed that optimized viewing maximizes the distance between the radiation source and highly sensitive components. It was also observed that cumulative effects from viewing two BGAs will influence viewing angles, causing the optimal view of one BGA to exist nearly 180° from the other.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Natural evolutionary strategies for variational quantum computation

Abstract Natural evolutionary strategies (NES) are a family of gradient-free black-box optimization algorithms. This study illustrates their use for the optimization of randomly initialized parameterized quantum circuits (PQCs) in the region of vanishing gradients. We show that using the NES gradient estimator the exponential decrease in variance can be alleviated. We implement two specific approaches, the exponential and separable NES, for parameter optimization of PQCs and compare them against standard gradient descent. We apply them to two different problems of ground state energy estimation using variational quantum eigensolver and state preparation with circuits of varying depth and length. We also introduce batch optimization for circuits with larger depth to extend the use of ES to a larger number of parameters. We achieve accuracy comparable to state-of-the-art optimization techniques in all the above cases with a lower number of circuit evaluations. Our empirical results indicate that one can use NES as a hybrid tool in tandem with other gradient-based methods for optimization of deep quantum circuits in regions with vanishing gradients.

Anand, Abhinav (ORCID:0000000280812310)↗
DOE OSTI2024

Characterizing and improving the performance of molten-salt-steam heat exchangers in concentrating solar power plants

Shell-and-tube heat exchangers (HXs) for steam generation from molten salts in concentrating solar power (CSP) plants experience thermal fatigue due to significant temperature gradients and inherent transient operation. Molten salt-steam HX design lifespans exceed actual lifespans, and, as a consequence, designers overpredict plant profitability and operators neglect appropriate prescriptions to optimize these lifetimes. Here, this study refines HX lifespan estimates with data benchmarked against thermal-fluid mechanical modeling of stress and accumulated fatigue. Reduced-order thermal models of the molten salt-steam, shell-and-tube evaporator and superheater predict transient temperature profiles along the two HXs salt-steam flow paths. The modeled evaporator and superheater temperature profiles enable assessment of cyclic stresses within the HX tubesheets, where molten-salt HX failures are most common. Evaporator and superheater performance data from a current 110 MW elec commercial CSP plant provide a basis for validating the reduced-order HX models. HX life predictions derived from stochastic failure distributions serve as inputs for simulating and optimizing existing plant operations. The impact of the updated lifespans on overall plant revenue depends on operating scenarios. This study suggests that typical ramping rates for a CSP plant with a high-temperature Rankine cycle result in an evaporator and superheater life of approximately 10 and 25 years, respectively, compared to the design target of 30 years. Reduced HX lifespans decrease operational plant revenue on average by 4.6-5.1%. Furthermore, there may be as many as four HX replacements over the 30-year lifetime of the plant; and, purchase agreement loss due to failure to meet contractual production requirements can have ramifications that include the risk of bankruptcy.

14 SOLAR ENERGY↗
NASA NTRS2021

Performance of JAXA’s SGLI standard ocean color products for oceanic to coastal waters: chlorophyll a concentration and light absorption coefficients of colored dissolved organic matter

We present the performance of JAXA’s SGLI standard algorithms for estimating chlorophyll a (chl a) concentration and the light absorption coefcients of colored dissolved organic matter (CDOM) using recently compiled high-quality data obtained from oceanic to coastal waters. Prior to the evaluation of the algorithms, we frst compare two forward models (Gordon et al. in J Geophys Res 93(D9):10909-10924, 1988: G88 and Park and Ruddick in Appl Opt 44(7):1236–1249, 2005: PR05) using a wide range of inherent optical properties (IOPs) to (1) examine if the water refectance is appropriately reproduced and (2) correct measured refectance in terms of its bidirectionality. Based on a good reproducibility of water refectance using the PR05, the optimized IOPs are further used for explaining errors in estimates of chl a concentration and CDOM absorption when using the SGLI, the GSM (Maritorena et al. in Appl Opt 41:2705–2714, 2002), and the QAA (Lee et al. in Appl Opt 41:5755, 2002) inversion algorithms. Results show that the mean error for estimating chl a concentration using the SGLI algorithm is 110% for our dataset. Although this error is lower than that of the GSM and the QAA algorithms, a signifcant underestimate at chl a higher than 2.0 mg m−3 is observed, which is further shown by independent match-up analyses. Another SGLI CDOM product includes the mean error of 50% and shows deviation at high CDOM range (>1.0 per m). A similar trend is observed for the GSM but not for the QAA when a global relationship of CDOM to colored detrital matter is applied. The sources of errors are discussed for potentially improving the retrievals

Second-generation GLobal Imager (SGLI)↗
NASA NTRS2011

Combining Observations in the Reflective Solar and Thermal Domains for Improved Mapping of Carbon, Water and Energy FLuxes

This study investigates the utility of integrating remotely sensed estimates of leaf chlorophyll (C(sub ab)) into a thermal-based Two-Source Energy Balance (TSEB) model that estimates land-surface CO2 and energy fluxes using an analytical, light-use-efficiency (LUE) based model of canopy resistance. Day to day variations in nominal LUE (LUE(sub n)) were assessed for a corn crop field in Maryland U.S.A. through model calibration with CO2 flux tower observations. The optimized daily LUE(sub n) values were then compared to estimates of C(sub ab) integrated from gridded maps of chlorophyll content weighted over the tower flux source area. Changes in Cab exhibited a curvilinear relationship with corresponding changes in daily calibrated LUE(sub n) values derived from the tower flux data, and hourly water, energy and carbon flux estimation accuracies from TSEB were significantly improved when using C(sub ab) for delineating spatio-temporal variations in LUE(sub n). The results demonstrate the synergy between thermal infrared and shortwave reflective wavebands in producing valuable remote sensing data for monitoring of carbon and water fluxes.

Houborg, Rasmus↗
DOE OSTI2020

Physics-Informed Deep Neural Network Method for Limited Observability State Estimation

The precise knowledge regarding the state of the power grid is important in order to ensure optimal and reliable grid operation. Specifically, knowing the state of the distribution grid becomes increasingly important as more renewable energy sources are connected directly into the distribution network, increasing the fluctuations of the injected power. In this paper, we consider the case when the distribution grid becomes partially observable, due to for example cyber attacks, and the state estimation problem is under-determined. We present a new methodology that leverages a deep neural network (DNN) to estimate the grid state. The standard DNN training method is modified to explicitly incorporate the physical information of the grid topology and line/shunt admittance. We show that our method leads to a superior accuracy of the estimation when compared to the case when no physical information is provided. Finally, we compare the performance of our method to the standard state estimation approach, which is based on the weighted least squares with pseudo-measurements, and show that our method performs significantly better with respect to the estimation accuracy.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Stochastic Approximation for Multi-period Simulation Optimization with Streaming Input Data

We consider a continuous-valued simulation optimization (SO) problem, where a simulator is built to optimize an expected performance measure of a real-world system while parameters of the simulator are estimated from streaming data collected periodically from the system. At each period, a new batch of data is combined with the cumulative data and the parameters are re-estimated with higher precision. The system requires the decision variable to be selected in all periods. Therefore, it is sensible for the decision-maker to update the decision variable at each period by solving a more precise SO problem with the updated parameter estimate to reduce the performance loss with respect to the target system. We define this decision-making process as the multi-period SO problem and introduce a multi-period stochastic approximation (SA) framework that generates a sequence of solutions. Two algorithms are proposed: Re-start SA (ReSA) reinitializes the stepsize sequence in each period, whereas Warm-start SA (WaSA) carefully tunes the stepsizes, taking both fewer and shorter gradient-descent steps in later periods as parameter estimates become increasingly more precise. We show that under suitable strong convexity and regularity conditions, ReSA and WaSA achieve the best possible convergence rate in expected sub-optimality either when an unbiased or a simultaneous perturbation gradient estimator is employed, while WaSA accrues significantly lower computational cost as the number of periods increases. In addition, we present the regularized ReSA, which obviates the need to know the strong convexity constant and achieves the same convergence rate at the expense of additional computation.

Computer Science↗
DOE OSTI2024

Fertilizer management for global ammonia emission reduction

Crop production is a large source of atmospheric ammonia (NH 3 ), which poses risks to air quality, human health and ecosystems. However, estimating global NH 3 emissions from croplands is subject to uncertainties because of data limitations, thereby limiting the accurate identification of mitigation options and efficacy. In this report we develop a machine learning model for generating crop-specific and spatially explicit NH 3 emission factors globally (5-arcmin resolution) based on a compiled dataset of field observations. We show that global NH 3 emissions from rice, wheat and maize fields in 2018 were 4.3 ± 1.0 Tg N yr -1 , lower than previous estimates that did not fully consider fertilizer management practices. Furthermore, spatially optimizing fertilizer management, as guided by the machine learning model, has the potential to reduce the NH3 emissions by about 38% (1.6 ± 0.4 Tg N yr -1 ) without altering total fertilizer nitrogen inputs. Specifically, we estimate potential NH3 emissions reductions of 47% (44–56%) for rice, 27% (24–28%) for maize and 26% (20–28%) for wheat cultivation, respectively. Under future climate change scenarios, we estimate that NH3 emissions could increase by 4.0 ± 2.7% under SSP1–2.6 and 5.5 ± 5.7% under SSP5–8.5 by 2030–2060. However, targeted fertilizer management has the potential to mitigate these increases.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Extending the predictive power of perturbative QCD using the principle of maximum conformality and the Bayesian analysis

In addition to the evaluation of high-order loop contributions, the precision and predictive power of perturbative QCD (pQCD) predictions depends on two important issues: (1) how to achieve a reliable, convergent fixed-order series, and (2) how to reliably estimate the contributions of unknown higher-order terms. The recursive use of renormalization group equation, together with the Principle of Maximum Conformality (PMC), eliminates the renormalization scheme-and-scale ambiguities of the conventional pQCD series. The result is a conformal, scale-invariant series of finite order which also satisfies all of the principles of the renormalization group. In this paper we propose a novel Bayesian-based approach to estimate the size of the unknown higher order contributions based on an optimized analysis of probability distributions. We show that by using the PMC conformal series, in combination with the Bayesian analysis, one can consistently achieve high degree of reliability estimates for the unknown high order terms. Thus the predictive power of pQCD can be greatly improved. We illustrate this procedure for two pQCD observables: R e+e– and R τ , which are each known up to four loops in pQCD. Numerical analyses confirm that by using the scale-independent and more convergent PMC conformal series, one can achieve reliable Bayesian probability estimates for the unknown higher-order contributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1979

Optimization of satellite altimeter and wave height measurements

Two techniques for simultaneously estimating altitude, ocean wave height, and signal-to-noise ratio from the GEOS-C satellite altimeter data are described. One technique was based on maximum likelihood estimation, MLE, and the other on minimum mean square error estimation, MMSE. Performance was determined by comparing the variance and bias of each technique with the variance and bias of the smoothed output from the Geos altimeter tracker. Ocean wave height tracking performance for the MLE and MMSE algorithms was measured by comparing the variance and bias of the wave height estimates with that of the expression for the return waveform obtained by a fit to the average output of the 16 waveform sampling gates.

Dooley, R. P.↗