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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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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Toward shell model interactions with credible uncertainties

Background: The nuclear shell model is a powerful framework for predicting nuclear structure observables, but relies on interaction matrix elements fit to experimental data as its inputs. Extending the shell model's applicability, particularly toward dripline nuclei, requires efficient fitting methods and credible uncertainty quantification. Traditional approaches face computational challenges and may underestimate uncertainties. Purpose: We develop and test a framework combining eigenvector continuation and Markov chain Monte Carlo to efficiently fit shell model interaction matrix elements and quantify their uncertainties. Methods: Eigenvector continuation is used to emulate shell model calculations, reducing computational costs. The emulator enables Markov chain Monte Carlo sampling to optimize interaction matrix elements and rigorously assess parametric uncertainties. Here, the framework is benchmarked using the USDB interaction in the 𝑠⁢𝑑 shell. Results: The emulator reproduces the USDB interaction with negligible error, validating its use in shell model fitting applications. However, we find that to obtain credible predictive intervals, the model defect of the shell model itself, rather than experimental or emulator error, must be taken into account in order to obtain credible uncertainties. Conclusions: The proposed framework provides an efficient and rigorous approach for fitting shell model interactions and quantifying uncertainties. Further, the normality assumption used in the past appears sufficient to describe the distribution of interaction matrix elements. However, it is crucial to account for model correlations to avoid underestimating uncertainties.

Nuclear forces↗

DOE OSTI2026

Secure Wireless Communication Using Distributed Coherent Transmission and Spatial Signal Decomposition

We present a new approach to secure wireless communications using coherent distributed transmission of signals that are spatially decomposed between a two-element distributed antenna array. High-accuracy distributed coordination of microwave wireless systems supports the ability to transmit different parts of a signal from separate transmitters such that they combine coherently at a designated destination. In this article, we explore this concept using a two-element coherent distributed phased array where each of the two transmitters sends a separate component of a communication signal, where each symbol is decomposed into a sum of two pseudorandom signal vectors, the coherent summation of which yields the intended symbol. By directing the transmission to an intended receiver using distributed beamforming, the summation of the two vector components is largely confined to a spatial region at the destination receiver. We implement the technique in a $50−λ$ array operating at 3 GHz. We evaluate the symbol error rate (SER) in 2-D space through simulation and measurement, showing that the approach yields a spatially confined secure region where the information is recoverable (i.e., the received signal has low SER), and outside of which the information is unrecoverable (high SER). The proposed system is also compared against a traditional beamforming system where each node sends the same data. We validate experimentally that our approach achieves a low SER of 0.0082 at broadside and an SER above 0.25 at all other locations compared to a traditional beamforming approach that achieves a SER of 0 at all locations measured.

Engineering - Electronic and electrical engineerin↗

NASA NTRS1977

Intercomparison of neutral composition measurements from the satellite Esro 4, Aeros A, Aeros B, and Atmosphere Explorer C

Number-density data obtained at orbital 'crossover' points with the neutral-gas mass spectrometers aboard the Esro 4, Aeros A, AE-C, and Aeros B satellites are intercompared. All the mass spectrometers were designed to measure the ambient number densities of atomic oxygen, molecular nitrogen, helium, and argon. It is found that the agreement for N2 and O is satisfactory within the experimental errors and that the He measurements exhibit unexpectedly large discrepancies far outside the error range. Calibration and instrument sources of error are considered.

Trinks, H.↗

NASA NTRS1982

An experimental verification of laser-velocimeter sampling bias and its correction

The existence of 'sampling bias' in individual-realization laser velocimeter measurements is experimentally verified and shown to be independent of sample rate. The experiments were performed in a simple two-stream mixing shear flow with the standard for comparison being laser-velocimeter results obtained under continuous-wave conditions. It is also demonstrated that the errors resulting from sampling bias can be removed by a proper interpretation of the sampling statistics. In addition, data obtained in a shock-induced separated flow and in the near-wake of airfoils are presented, both bias-corrected and uncorrected, to illustrate the effects of sampling bias in the extreme.

Johnson, D. A.↗

NASA NTRS1983

Overview of Code Verification

The verified code for the SIFT Executive is not the code that executes on the SIFT system as delivered. The running versions of the SIFT Executive contain optimizations and special code relating to the messy interface to the hardware broadcast interface and to packing of data to conserve space in the store of the BDX930 processors. The running code was in fact developed prior to and without consideration of any mechanical verification. This was regarded as necessary experimentation with the SIFT hardware and special purpose Pascal compiler. The Pascal code sections cover: the selection of a schedule from the global executive broadcast, scheduling, dispatching, three way voting, and error reporting actions of the SIFT Executive. Not included in these sections of Pascal code are: the global executive, five way voting, clock synchronization, interactive consistency, low level broadcasting, and program loading, initialization, and schedule construction.

Source record↗

DOE OSTI2025

Aided Active Learning (AAL) for Enhanced Critical Heat Flux Prediction

Accurate prediction of critical heat flux (CHF) is crucial for the safe and efficient operation of nuclear reactors. Traditional CHF modeling methods often require extensive experimental data, which are hard to obtain. This study introduces the Aided Active Learning (AAL) framework, which strategically minimizes data requirements without sacrificing model accuracy. Unlike conventional Active Learning (AL), AAL introduces an additional step of randomly selecting a subset from the sample pool before applying the query strategy. To evaluate the performance of AAL, two query strategies—uncertainty-based sampling and error-reduction sampling—were evaluated across the following models: random forest (RF), feedforward neural network (FNN), and variational feedforward neural network (vFNN). The proposed framework demonstrated that AAL effectively reduces the number of training samples needed to achieve comparable predictive accuracy. For the RF model, AL required only 710 samples to achieve an R2 score of 0.98, as compared to the 4,785 samples needed by random sampling. Similarly, the FNN model achieved the same R2 score with just 355 samples when using AL, a significant improvement over the 825 samples required by random sampling. In case of uncertainty-based sampling strategy, vFNN attained an R2 of 0.98 with 3,420 samples, reducing the sample requirement by 47% relative to the 6,440 samples needed for random sampling. Its performance suggests that larger training data are required to fully leverage its uncertainty quantification capabilities.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2010

Scaled CMOS Technology Reliability Users Guide

The desire to assess the reliability of emerging scaled microelectronics technologies through faster reliability trials and more accurate acceleration models is the precursor for further research and experimentation in this relevant field. The effect of semiconductor scaling on microelectronics product reliability is an important aspect to the high reliability application user. From the perspective of a customer or user, who in many cases must deal with very limited, if any, manufacturer's reliability data to assess the product for a highly-reliable application, product-level testing is critical in the characterization and reliability assessment of advanced nanometer semiconductor scaling effects on microelectronics reliability. A methodology on how to accomplish this and techniques for deriving the expected product-level reliability on commercial memory products are provided.Competing mechanism theory and the multiple failure mechanism model are applied to the experimental results of scaled SDRAM products. Accelerated stress testing at multiple conditions is applied at the product level of several scaled memory products to assess the performance degradation and product reliability. Acceleration models are derived for each case. For several scaled SDRAM products, retention time degradation is studied and two distinct soft error populations are observed with each technology generation: early breakdown, characterized by randomly distributed weak bits with Weibull slope (beta)=1, and a main population breakdown with an increasing failure rate. Retention time soft error rates are calculated and a multiple failure mechanism acceleration model with parameters is derived for each technology. Defect densities are calculated and reflect a decreasing trend in the percentage of random defective bits for each successive product generation. A normalized soft error failure rate of the memory data retention time in FIT/Gb and FIT/cm2 for several scaled SDRAM generations is presented revealing a power relationship. General models describing the soft error rates across scaled product generations are presented. The analysis methodology may be applied to other scaled microelectronic products and their key parameters.

Microelectronics Reliability↗

DOE OSTI2021

Data‐Driven Safety Risk Prediction of Lithium‐Ion Battery

Abstract Inevitable safety issues have pushed battery engineers to become more conservative in battery system design; however, battery‐involved accidents still frequently are reported in headlines. Identifying, understanding, and predicting safety risks have become priorities to further accelerate technology and industry development. However, diverse loading scenarios, significantly varied stress‐induced short circuit mechanisms, and highly coupled mechanical–electrochemical safety behaviors have remained grand challenges. Herein, the safety risk is termed as the probability of the mechanical triggering of an internal short circuit, to reflect the safety related behaviors of lithium‐ion batteries. Based on a mechanical model and experimental results, a sufficient dataset is generated consisting of strain states and their corresponding safety risks, covering both cylindrical and pouch cells, various states of charges, and loading conditions. Machine‐learning tools combined with the established finite element mechanical model are applied to predict the safety risks of the cells. The results achieve a high level of accuracy on the test data (the relative error of the average short circuit prediction deviation is less than 6.2%.). This work underpins the safety risk concept and highlights the promise of physics combined with data‐driven modeling methodology to predict the safety behaviors of energy storage systems.

Jia, Yikai↗

DOE OSTI2022

Coastal Acoustic Buoy for Offshore Wind: Project Synthesis

The population of North Atlantic right whales is critically endangered and their habitat overlaps with offshore windfarm leases. It is therefore imperative that effective mitigation strategies be used to avoid impacts on right whales during the construction of offshore windfarms. The Department of Energy issued FOA Number DE-FOA-0001924 to encourage the development of technology that could monitor large exclusion zones for right whales in order to mitigate potential impact of construction noise on right whales. This report summarizes the past two years of the development and evaluation of the Coastal Acoustic Buoy for Offshore Wind (CABOW) project which aimed to develop technology to monitor large exclusion zones for North Atlantic right whales. Over the course of the project SMRU Consulting have implemented a rigorous design process including comparison of different approaches (e.g., single sensor vs multiple sensors), as well as consideration of placement and timing of acoustic monitoring. We have evaluated critical components of the CABOW system including, reliability, detection range, and bearing accuracy in areas adjacent to offshore windfarm leases in Maryland by conducting 3,536 playbacks of simulated right whale upcalls. The maximum call detection range was 7.5 km when noise was 99 dB re 1µPa rms (50-225 Hz), but this reduced to < 1 km when ambient noise levels were high. Our detection probability in the field was measured as a function of range as well as the source-to-noise level ratio allowing us to build a model to predict the probability of detection under various scenarios (sample size: 3,536 calls x 5 buoys = 17,680). The median bearing error was -0.25° but this is likely an underestimate of error due to experimental design. Using the published recall and precision of the two detectors we implemented in the CABOW system, we estimate that at a recall of 80%, our precision was > 80%, within the range of what we were aiming for in this project. To estimate our exclusion zone false negative and false positive rates, we built a simulation model using the empirical data from our field trial. We modelled three to nine CABOW units placed on the 10 km exclusion zone and estimated our false negative rate to be 1% or less (which was our project goal) and our false positive rate to be between seven and nine percent, slightly above our goal of 5%. However, we also modelled an equivalent PAM system that does not have bearing capabilities and found the false positive rates for that system to be six to eight times higher than the CABOW rate. This higher false positive rate of PAM systems with low spatial information could have significant cost repercussions for offshore wind developers by adding work shutdowns or delays without providing additional protection for right whales. The model we built allows us to explore the placement of PAM systems under various scenarios and will thus help facilitate planning of PAM mitigation systems to meet NOAA Incidental Harassment Authorizations for specific windfarms. We achieved an average system uptime of 98.3%, just below our goal of 99%. The issues that caused these short losses of data have been identified and fixed. Right whale detections and audio clips were typically transferred via radio from the buoys to the base station in two to four seconds. We therefore believe we have developed a highly robust real-time PAM system. Based on the above, we feel we have achieved the stated funding goal of developing a cost-effective and robust real-time PAM system that enables the monitoring of large exclusion zones for right whales during the constructions of offshore windfarms. This should lead to decreased costs and risks for the offshore wind sector while providing robust mitigation for right whales. It is important to state that PAM mitigation will need to be implemented with other mitigation strategies (e.g., visual observers) to provide a complete mitigation strategy to ensure that any effects on right whales from offshore windfarm construction is minimized.

17 WIND ENERGY↗

NASA NTRS1975

Experimental test of general relativity using time-delay data from Mariner 6 and Mariner 7

Range and Doppler data from Mariner 6 and Mariner 7 have been analyzed for purposes of measuring the effect of the sun's gravity field on S-band radio transmissions to the spacecraft. The prediction of general relativity, that the round-trip time delays between the station and the spacecraft will be increased by about 200 microsec near superior conjunction, has been verified with an uncertainty of 3 per cent or less. The dominant error source on the experiment is the stochastic nongravitational forces which act on the spacecraft and which limit the accuracy of the determination of the Mariner orbits. Effects of free coronal electrons on the round-trip propagation also make the measurement difficult, but the coronal contribution to the error is only about 1 per cent. Separate analyses of data from Mariner 6 and Mariner 7 yield two values near unity for the parameter gamma* which differ by about 0.3 per cent from each other. This and other considerations suggest that the error in the experiment is perhaps less than 3 per cent.

Anderson, J. D.↗

DOE OSTI2024

Accelerating defect predictions in semiconductors using graph neural networks

First-principles computations reliably predict the energetics of point defects in semiconductors but are constrained by the expense of using large supercells and advanced levels of theory. Machine learning models trained on computational data, especially ones that sufficiently encode defect coordination environments, can be used to accelerate defect predictions. Here, we develop a framework for the prediction and screening of native defects and functional impurities in a chemical space of group IV, III–V, and II–VI zinc blende semiconductors, powered by crystal Graph-based Neural Networks (GNNs) trained on high-throughput density functional theory (DFT) data. Using an innovative approach of sampling partially optimized defect configurations from DFT calculations, we generate one of the largest computational defect datasets to date, containing many types of vacancies, self-interstitials, anti-site substitutions, impurity interstitials and substitutions, as well as some defect complexes. We applied three types of established GNN techniques, namely crystal graph convolutional neural network, materials graph network, and Atomistic Line Graph Neural Network (ALIGNN), to rigorously train models for predicting defect formation energy (DFE) in multiple charge states and chemical potential conditions. We find that ALIGNN yields the best DFE predictions with root mean square errors around 0.3 eV, which represents a prediction accuracy of 98% given the range of values within the dataset, improving significantly on the state-of-the-art. We further show that GNN-based defective structure optimization can take us close to DFT-optimized geometries at a fraction of the cost of full DFT. The current models are based on the semi-local generalized gradient approximation-Perdew–Burke–Ernzerhof (PBE) functional but are highly promising because of the correlation of computed energetics and defect levels with higher levels of theory and experimental data, the accuracy and necessity of discovering novel metastable and low energy defect structures at the PBE level of theory before advanced methods could be applied, and the ability to train multi-fidelity models in the future with new data from non-local functionals. The DFT-GNN models enable prediction and screening across thousands of hypothetical defects based on both unoptimized and partially optimized defective structures, helping identify electronically active defects in technologically important semiconductors.

Rahman, Md Habibur (ORCID:000000027705984X)↗

DOE OSTI2021

Towards robust autonomous impedance spectroscopy analysis: A calibrated hierarchical Bayesian approach for electrochemical impedance spectroscopy (EIS) inversion

Distribution-based analyses, such as the distribution of relaxation times (DRT) and the distribution of diffusion times (DDT), present model-free alternatives to equivalent circuit modeling for analysis of electrochemical impedance spectroscopy (EIS) data. However, reconstructing such distributions from noisy impedance data is an ill-posed problem that must be solved with specialized inversion algorithms, requiring careful control and tuning. Furthermore, most inversion algorithms developed to date can only solve problems of limited complexity. Herein, we present a new hierarchical Bayesian method for EIS inversion, leveraging efficient algorithms for optimization and Hamiltonian Monte Carlo (HMC) sampling to solve models of arbitrary complexity. We overcome the challenge of ad-hoc parameter tuning by encoding intrinsic characteristics of the DRT and DDT into flexible prior distributions and “pre-calibrating” the model to simulated data. This approach is versatile, highly robust to noise, and provides quantitative estimates of both the error structure of the data and the uncertainty in the recovered distributions. The model is validated with simulated data to demonstrate accurate recovery of the DRT and the DDT. The method also shows promise for simultaneous recovery of multiple distributions, raising the intriguing possibility of semi-autonomous EIS analysis and ad-hoc model construction. Finally, the practical utility of the method is illustrated with experimental data. Throughout, we draw comparisons to several recently published EIS inversion methodologies.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Coupling High-Throughput Experiments and Regression Algorithms to Optimize PGM-Free ORR Electrocatalyst Synthesis

Over the past decades, significant improvement has been achieved in the performance of platinum group metal-free (PGM-free) materials as an alternative to Pt-based electrocatalysts for oxygen reduction reaction (ORR). However, further progress in ORR activity requires evaluation of precursors and synthesis approaches. In response to this challenge, we generated a first of its kind experimental data set of 36 samples using high-throughput synthesis and activity measurements. Several control parameters (e.g., Fe precursor identity, the precursor content, and pyrolysis temperature) were varied. We then developed several state-of-the-art machine learning (ML) based regression models to predict ORR activity, dependent on selected synthesis variables. Through an iterative algorithm, higher prediction accuracy (smaller root-mean-square error) was achieved. We identified that gradient boosting regression (GBR) and support vector regression (SVR), among several methods, work best for this data set. Aided by our ML-based surrogate models, we decided to alter catalyst synthesis conditions, which resulted in a 36% increase in measured ORR activity in comparison to the maximum ORR mass activity value of 21.9 A/g catalyst in the original data set. Overall, this combined experiment and machine learning approach represents a promising path forward toward developing highly efficient next-generation ORR electrocatalysts and, more generally, functional materials.

25 ENERGY STORAGE↗

DOE OSTI2025

Modular Autonomous Experimentation for Biological Applications

The Modular Autonomous Research System (MARS) was created to address a key challenge in scientific discovery: experiments are often slow, require significant manual labor, and generate data that is not easily integrated across different tools. This limits how quickly scientists can explore new materials, processes, and chemical reactions. Our motivation was to design a system that makes research faster, more reliable, and adaptable by combining automation with artificial intelligence. By doing so, we aimed to reduce human error, accelerate discovery, and allow researchers to quickly test many possibilities that would otherwise take months or years. Our approach was to build a flexible platform that connects laboratory robots, measurement instruments, and a central data system, all guided by artificial intelligence. MARS integrates liquid handling robots, robotic arms, and plate readers with an intelligent decision-making system that chooses the most informative experiments to run next. This creates a closed loop where experiments are performed automatically, the data is analyzed in real time, and new conditions are immediately tested. Through this work, we demonstrated that MARS can carry out multiple experiments with little or no human intervention, adapt to different scientific problems, and handle uncertain or noisy measurements in a robust way. The results show that modular and intelligent automation can significantly accelerate the pace of discovery, providing a model for future self-driving laboratories. This approach addresses the growing scientific need for adaptable, data-driven research platforms that can keep up with the complexity and scale of modern science.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

Coaxial prime focus feeds for paraboloidal reflectors

A TE11 - TM11 dual mode coaxial feed for use in prime focus paraboloidal antenna systems is investigated. The scattering matrix parameters of the internal bifurcation junction was determined by the residue calculus technique. The scattering parameters and radiation fields of the aperture were found from the Weinstein solution. The optimum modeing ratio for minimum cross-polarization was determined along with the corresponding optimum feed dimensions. A peak cross-polarization level of -58 dB is predicted. The frequency characteristics were also investigated and a bandwidth of 5% is predicted over which the cross-polarization remains below -30 dB, the input VSWR is below 1.15, and the phase error is less than 10 deg. Theoretical radiation patterns and efficiency curves for a paraboloidal reflector illuminated by this feed were computed. The predicted sidelobe level is below -30 dB and aperture efficiencies greater than 70% are possible. Experimental results are also presented that substantiates the theoretical results. In addition, experimental results for a 'short-cup' coaxial feed are given. The report includes extensive design data for the dual-mode feed along with performance curves showing cross-polarization as a function of feed parameters. The feed is useful for low-cost ground based receiving antennas for use in direct television satellite broadcasting service.

Collin, R. E.↗

NASA NTRS1993

Nonlinear aerodynamic modeling using multivariate orthogonal functions

A technique was developed for global modeling of nonlinear aerodynamic coefficients using multivariate orthogonal functions based on the data. Each orthogonal function retained in the model was decomposed into an expansion of ordinary polynomials in the independent variables, so that the final model could be interpreted as selectively retained terms from a multivariable power series expansion. A predicted squared-error metric was used to determine the orthogonal functions to be retained in the model; analytical derivatives were easily computed. The approach was demonstrated on the Z-body axis aerodynamic force coefficient (Cz) wind tunnel data for an F-18 research vehicle which came from a tabular wind tunnel and covered the entire subsonic flight envelope. For a realistic case, the analytical model predicted experimental values of Cz very well. The modeling technique is shown to be capable of generating a compact, global analytical representation of nonlinear aerodynamics. The polynomial model has good predictive capability, global validity, and analytical differentiability.

Morelli, Eugene A.↗

NASA NTRS1993

Adaptive data rate control TDMA systems as a rain attenuation compensation technique

Rainfall attenuation has a severe effect on signal strength and impairs communication links for future mobile and personal satellite communications using Ka-band and millimeter wave frequencies. As rain attenuation compensation techniques, several methods such as uplink power control, site diversity, and adaptive control of data rate or forward error correction have been proposed. In this paper, we propose a TDMA system that can compensate rain attenuation by adaptive control of transmission rates. To evaluate the performance of this TDMA terminal, we carried out three types of experiments: experiments using a Japanese CS-3 satellite with Ka-band transponders, in house IF loop-back experiments, and computer simulations. Experimental results show that this TDMA system has advantages over the conventional constant-rate TDMA systems, as resource sharing technique, in both bit error rate and total TDMA burst lengths required for transmitting given information.

Sato, Masaki↗

NASA NTRS1998

Computational Modeling Program

An Integrated Product Team (IPT) has been formed at NASA Ames Research Center which has set objectives to investigate devices and processes suitable for meeting NASA requirements on ultrahigh performance computers, fast and low power devices, and high temperature wide bandgap materials. These devices may ultimately be sub-100nm feature-size. Processes and equipment must meet the stringent demands posed by the fabrication of such small devices. Until now, the reactors for Chemical Vapor Deposition (CVD) and plasma processes have been designed by trial and error procedures. Further, once the reactor is in place, optimum processing parameters are found through expensive and time-consuming experimentation. If reliable models are available that describe processes and the operation of the reactors, that chore would be reduced to a routine task while being a cost-effective option. The goal is to develop such a design tool, validate that tool using available data from current generation processes and reactors, and then use that tool to explore avenues for meeting NASA needs for ultrasmall device fabrication. Under the present grant, ARL/Penn State along with other IPT members has been developing models and computer code to meet IPT goals. Some of the accomplishments achieved during the first year of the grant are described in this report

Govindan, T. R.↗