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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Accuracy and capacity of modern Hopfield networks with synaptic noise.

We study the retrieval accuracy and capacity of modern Hopfield networks of with two-state (Ising) spins interacting via modified Hebbian 𝑛 -spin interactions. In particular, we consider systems where the interactions deviate from the Hebb rule through additive or multiplicative noise or through clipping or deleting interactions. We find that the capacity scales as 𝑁𝑛−1 with the number of spins 𝑁 in all cases, but with a prefactor reduced compared to the Hebbian case. For 𝑛=2 our results agree with the previously known results for the conventional 𝑛=2 Hopfield network.

Bhattacharjee, Sharba↗
DOE OSTI2020

Error detection on quantum computers improving the accuracy of chemical calculations

The ultimate goal of quantum error correction is to achieve the fault-tolerance threshold beyond which quantum computers can be made arbitrarily accurate. This requires extraordinary resources and engineering efforts. We show that even without achieving full fault-tolerance, quantum error detection is already useful on the current generation of quantum hardware. We demonstrate this by executing an end-to-end chemical calculation for the hydrogen molecule encoded in the [[4, 2, 2]] quantum error-detecting code. The encoded calculation with logical qubits significantly improves the accuracy of the molecular ground-state energy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Machine-Learning X-Ray Absorption Spectra to Quantitative Accuracy

Simulations of excited state properties, such as spectral functions, are often computationally expensive and therefore not suitable for high-throughput modeling. As a proof of principle, here we demonstrate that graph-based neural networks can be used to predict the x-ray absorption near-edge structure spectra of molecules to quantitative accuracy. Specifically, the predicted spectra reproduce nearly all prominent peaks, with 90% of the predicted peak locations within 1 eV of the ground truth. Besides its own utility in spectral analysis and structure inference, our method can be combined with structure search algorithms to enable high-throughput spectrum sampling of the vast material configuration space, which opens up new pathways to material design and discovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Accuracy of DFT computed oxygen-vacancy formation energies and high-throughput search of solar thermochemical water-splitting compounds

The enthalpy change involved in metal oxide reduction is a key quantity in various processes related to energy conversion and storage, and is of particular interest for computational prediction. Often this prediction involves the simulation of a high temperature reduction process with a 0K methodology like density functional theory (DFT), and it is not infrequent for the high temperature and 0K stable crystal structures to differ. This introduces a conundrum with regards to the choice of crystal structure to utilize in the computation, with approaches in the literature varying and experimental validation remaining scarce. In this work we address both the crystal structure conundrum and the experimental validation, and then apply the insights we gain to guide a high-throughput search for new materials for solar thermochemical water-splitting applications. By computing the DFT+U oxygen vacancy formation energy (ΔE vf ) of a selection of ABO 3 compounds and comparing different crystal structures for each composition, we highlight the issues that arise when the structure utilized in the computation is dynamically unstable at 0K, namely the presence of an artificial lowering of ΔE vf , and the lack of convergence of ΔE vf with cell size. We solve these limitations by identifying and employing a suitable surrogate dynamically stable structure. We then validate the predictive power of our calculations against appositely generated experimental measurements of reduction enthalpy for a series of Hubbard U values, finding an accuracy ranging between 0.2-0.6 eV/O. In light of such conclusions, we revise and expand a previous a high-throughput DFT study on ABO 3 perovskite oxides. As a result, we provide a list of candidate STCH materials, highlight trends with redox-active cation and structural distortion, and identify Mn 4+ , Mn 3+ and Co 3+ as the most promising redox-active cations.

08 HYDROGEN↗
DOE OSTI2025

First Global Extraction of Generalized Parton Distributions from Experiment and Lattice Data with Next-to-Leading-Order Accuracy

We report the first global extraction of generalized parton distributions, GUMP 1.0, by combining deeply virtual Compton scattering and 𝜌-meson production data from Jefferson Lab and the Hadron-Electron Ring Accelerator with global fits of parton distribution functions, charge form factors, and lattice quantum chromodynamics simulations. Using a conformal moment space parametrization, we achieve a unified description across low- and high-𝑥 regions at next to leading order accuracy in perturbative corrections. The results provide state-of-the-art generalized parton distributions consistent with almost all known facts, enabling three-dimensional nucleon imaging in impact parameter space and, at the same time, establishing a benchmark for future theoretical and experimental studies of the nucleon structure.

Form factors↗
DOE OSTI2021

Empirical Evaluation of GPS Clock Accuracy for Isochronous Droop-based Inverters

Grid-forming inverters rely upon an internal reference to regulate the grid 's voltage and frequency. Without a reliable reference, issues such as loss of synchronism, frequency instability, and unequal power sharing can occur. One proposed internal phase reference for grid-forming inverters is generated by the controller's clock, but this is affected by nonidealities in the crystal oscillator leading to time drift in the phase reference. To improve the controller's clock accuracy, the Global Positioning System (GPS) can be used to calibrate the internal clock. Previously, GPS-based clock calibration was explored theoretically and various methods were developed for mitigating frequency/phase drift at the power system level. This paper experimentally validates the direct performance of GPS time-calibration at the controller level and justifies its use in maintaining an accurate phase reference for droop-based grid-forming inverters.

clock drift↗
DOE OSTI2022

A High-Accuracy Power Loss Model of SiC MOSFETs in Current Source Inverter Considering Current Commutation and Parasitic Parameters

Power loss estimation of power electronic devices is important to the efficiency optimization of motor drives used in many applications. However, most existing simplified power loss models of silicon carbide (SiC) MOSFETs are not sufficiently accurate due to their neglect of parasitic parameters in the current commutation loop. In addition, the loss model of the voltage source inverter (VSI) cannot be directly applied to the current source inverter (CSI) because of differences between their commutation loops. First, the commutation processes for VSIs and CSIs are compared. The voltage and current trajectories of SiC MOSFETs in the switching transition of a CSI-based motor drive system are analyzed in detail. Based on these results, the conduction and switching losses of SiC MOSFETs in CSIs are modeled considering the current commutation details. In addition, the proposed analytical model includes parasitic inductances and capacitances in the current commutation loop. Experimental results have verified that the proposed power loss model delivers higher accuracy loss predictions than the conventional loss model.

current commutation, current source inverter, powe↗
DOE OSTI2022

A Fast-Response High-Accuracy Overvoltage Protection Circuit for Soft-Switching Current-Source Converters

Although voltage-source converters (VSCs) have been a focus of research for decades and are widely applied in numerous applications, they face great challenges in short-circuit failures, high dv/dt and electromagnetic interference (EMI), especially using wide bandgap devices. Instead, current-source converters (CSCs) are attracting increasing attention in recent years owing to their friendliness to short-circuit faults, improved EMI, etc. For CSCs, overvoltage is the most catastrophic failure since the semiconductor devices can hardly withstand an overvoltage for a short pulse. In this paper, a fast-response high-accuracy overvoltage protection (OVP) circuit is proposed to protect CSCs from overvoltage damage. It also features a small form factor, good noise-immunity, friendly retrofit capability, and no need for active switches. In this paper, the operating principle and design guideline of the proposed OVP circuit is introduced. Its effectiveness is validated in soft-switching solid-state transformer (S4T) at 500 V. In experiments, the voltage detection error of less than 5% and a propagation delay of fewer than 400 ns have been achieved.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2025

Digital Filter Design for Point-on-Wave Sensors: Highlighting Frequency Response Limitations and Enhancing Grid Simulation Accuracy

Data is proving to be the backbone of today's and, more importantly, tomorrow's grid. As the system changes and introduces fast-acting devices like power electronics, overall observability tends to decrease from the utility point-of-view. This can be mitigated by adding more high-fidelity sensors onto the grid, although this incurs a cost. These sensors are never ideal, and each have unique frequency responses that may influence the data produced. This may, in turn, impact the protection and control of the power grid. This paper presents a methodology of representing these point-on-wave sensors digitally by estimating digital-filter representations of them, thereby introducing means of improving the sensor models used in electromagnetic-transient (EMT) simulations. This may help with identifying potential high-frequency, sensor-induced distortions, and system resonance compensation. Three commercial-grade medium-voltage point-on-wave sensors are utilized in a lab environment to obtain experimental frequency responses with a frequency sweep, and it is shown that both Infinite Impulse Response (IIR) and Finite Impulse Response (FIR) filter representations may approximate these responses with varying degrees of accuracy, though each has their own strengths and weaknesses. It is found that, in general, FIR estimation better approximates these sensors than IIR estimation does.

Wilson, Aaron [ORNL] (ORCID:0000000327331697)↗
DOE OSTI2021

Assessing the Accuracy of Balanced Power System Models in the Presence of Voltage Unbalance

Traditional models of electric power systems represent distribution systems with unbalanced three-phase network models and transmission systems with balanced single-phase-equivalent network models. This distinction poses a challenge for coupled models of transmission and distribution systems, which are becoming more prevalent due to the growth of distributed energy resources connected to distribution systems. In order to maintain a balanced network representation, transmission system models typically assume that the voltage phasors at the interface to the distribution system are balanced. Inaccuracies resulting from this assumption during unbalanced operation can lead to erroneous values for line currents in the transmission system model. This paper empirically quantifies the accuracy of this balanced operating assumption during unbalanced operating conditions for both a simple two-bus system along with a more complex transmission and distribution co-simulation. This paper also characterizes the performance of different methods for translating the unbalanced voltage phasors into a balanced representation in order to give recommendations for modeling coupled transmission and distribution systems.

power distribution↗
DOE OSTI2021

Improving the Accuracy of Clustering Electric Utility Net Load Data using Dynamic Time Warping

Identifying patterns in electric utility net load data in a time-series format is very useful in preparing the operation for next day. Machine learning algorithms have been used in other domains and those concepts are applied in this paper on real-world net load measurement data. Clustering is the practice of grouping data with similar characteristics as determined by the distance measure. The K-means clustering algorithm is utilized here with actual electric utility data. The paper uses the standard distance measure, Euclidean distance (ED), and compares its performance against the dynamic time warping (DTW) measure. An actual case study with real data is presented, and DTW distance measure-based method observed to result better accuracy compared to the ED based method for substation net load measurements predominantly with residential customers.

clustering↗
DOE OSTI2024

Positioning Accuracy in a Concurrent Robot-CNC Hybrid Manufacturing System

Abstract Additive manufacturing (AM) has gained notoriety for offering advantages over traditional manufacturing methods, such as increased design complexity and flexibility. However, it has not found widespread use beyond rapid prototyping. One hindrance to the acceptance of AM processes in industry is the time and cost of fabrication per component. While metal AM by itself can be inexpensive, extra manufacturing steps in the form of subtractive manufacturing (SM) may need to be performed to reach final part tolerances, leading to hybrid additive-subtractive manufacturing (HASM) of a part, which increases time and cost. A potential area to reduce cost is through increasing the efficiency of the HASM process by conducting additive and subtractive manufacturing simultaneously. Usually, HASM is performed in a process where AM is completed in one machine or cell and transferred to another machine or cell for SM in a sequential assembly line process. This efficiency decreases part cost, but high aspect ratio parts or parts with internal geometry that require interleaved additive deposition and machining cannot be produced. One unexplored solution to simultaneous HASM that allows for interleaved operations is to operate the deposition head and machining spindle concurrently within the same machine envelope, known as concurrent HASM (CHASM). In this type of process, both AM and SM occur simultaneously on a batch of small parts or a single large part, maintaining a high efficiency without sacrificing the full range of complex geometries that AM allows for. A potential approach to the single-machine method could be to combine a robot and mill within the same envelope. A challenge to this approach, however, is control of both systems. Most machine controllers have limited external communication or, if a robot has been integrated, only offer movement of either the robot or mill at any given time. As a result, systems must pause either the AM or SM process to switch between them rather than working simultaneously. The present work investigates the positional accuracy of such a CHASM system comprised of a robotic arm and a 3-axis mill. Open-loop tests with limited communication between machines are performed on the system to verify positional error during concurrent robot-mill movements. Under certain conditions, it is demonstrated that position error can stay within 2 mm for the duration of a single layer; however, these tests show that, generally, the open-loop positioning performance of the system is inadequate for CHASM without part-specific hand-tuning of parameters. Based on these results, a set of requirements for successful robot-CNC CHASM is proposed for future integrations.

Goodwin, Jesse↗
DOE OSTI2021

Evaluation of the accuracy of stopping and range of ions in matter simulations through secondary ion mass spectrometry and Rutherford backscattering spectrometry for low energy heavy ion implantation

The freely available “Stopping and Range of Ions in Matter” (SRIM) code is used for evaluating ion beam ranges and depth profiles. We present secondary ion mass spectrometry and Rutherford backscattering experimental results of Si samples implanted with low energy Sb ions to evaluate the accuracy of SRIM simulations. We show that the SRIM simulation systematically overestimates the range by 2–6 nm and this overestimation increases for larger ion implantation energy. For the lowest energy implantation investigated, here we find up to a 25% error between the SRIM simulation and the measured range. Finally, the ion straggle shows excellent agreement between simulation and experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Effects of error, chimera, bias, and GC content on the accuracy of amplicon sequencing

ABSTRACT Targeted amplicon sequencing is widely used in microbial ecology studies. However, sequencing artifacts and amplification biases are of great concern. To identify sources of these artifacts, a systematic analysis was performed using mock communities comprised of 16S rRNA genes from 33 bacterial strains. Our results indicated that while sequencing errors were generally isolated to low-abundance operational taxonomic units, chimeric sequences were a major source of artifacts. Singleton and doubleton sequences were primarily chimeras. Formation of chimeric sequences was significantly correlated with the GC content of the targeted sequences. Low-GC-content mock community members exhibited lower rates of chimeric sequence formation. GC content also had a large impact on sequence recovery. The quantitative capacity was notably limited, with substantial recovery variations and weak correlation between anticipated and observed strain abundances. The mock community strains with higher GC content had higher recovery rates than strains with lower GC content. Amplification bias was also observed due to the differences in primer affinity. A two-step PCR strategy reduced the number of chimeric sequences by half. In addition, comparative analyses based on the mock communities showed that several widely used sequence processing pipelines/methods, including DADA2, Deblur, UCLUST, UNOISE, and UPARSE, had different advantages and disadvantages in artifact removal and rare species detection. These results are important for improving sequencing quality and reliability and developing new algorithms to process targeted amplicon sequences. IMPORTANCE Amplicon sequencing of targeted genes is the predominant approach to estimate the membership and structure of microbial communities. However, accurate reconstruction of community composition is difficult due to sequencing errors, and other methodological biases and effective approaches to overcome these challenges are essential. Using a mock community of 33 phylogenetically diverse strains, this study evaluated the effect of GC content on sequencing results and tested different approaches to improve overall sequencing accuracy while characterizing the pros and cons of popular amplicon sequence data processing approaches. The sequencing results from this study can serve as a benchmarking data set for future algorithmic improvements. Furthermore, the new insights on sequencing error, chimera formation, and GC bias from this study will help enhance the quality of amplicon sequencing studies and support the development of new data analysis approaches.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A new benchmark of soft X-ray transition energies of $$\mathrm {Ne}$$, $$\mathrm {CO}_2$$, and $$\mathrm {SF}_6$$: paving a pathway towards ppm accuracy

Abstract A key requirement for the correct interpretation of high-resolution X-ray spectra is that transition energies are known with high accuracy and precision. We investigate the K-shell features of $$\mathrm {Ne}$$ Ne , $$\mathrm {CO}_2$$ CO 2 , and $$\mathrm {SF}_6$$ SF 6 gases, by measuring their photo ion-yield spectra at the BESSY II synchrotron facility simultaneously with the 1s– n p fluorescence emission of He-like ions produced in the Polar-X EBIT. Accurate ab initio calculations of transitions in these ions provide the basis of the calibration. While the $$\mathrm {CO}_2$$ CO 2 result agrees well with previous measurements, the $$\mathrm {SF}_6$$ SF 6 spectrum appears shifted by $$\sim $$ ∼ 0.5 eV, about twice the uncertainty of the earlier results. Our result for $$\mathrm {Ne}$$ Ne shows a large departure from earlier results, but may suffer from larger systematic effects than our other measurements. The molecular spectra agree well with our results of time-dependent density functional theory. We find that the statistical uncertainty allows calibrations in the desired range of 1–10 meV, however, systematic contributions still limit the uncertainty to $${\sim }$$ ∼ 40–100 meV, mainly due to the temporal stability of the monochromator energy scale. Combining our absolute calibration technique with a relative energy calibration technique such as photoelectron energy spectroscopy will be necessary to realize its full potential of achieving uncertainties as low as 1–10 meV. Graphical abstract

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Improving precision and accuracy of genetic mapping with genotyping-by-sequencing data in outcrossing species

This dataset contains all data and supplementary materials from "Improving precision and accuracy of genetic mapping with genotyping-by-sequencing data in outcrossing species". An Excel file a list of all QTLs and linkage group length (in cM) obtained with two different SNP-calling methods (Tassel-Uneak and Tassel-GBS), genetic map-construction method (linkage-only and reference order-corrected) and depth filters (12x, 20x, 30x and 40x) for genetic mapping of 18 biomass yield traits in a biparental Miscanthus sinensis population using RAD-Seq SNPs is provided as "Supplementary file 1". A Perl script with the code for filtering VCF and HapMap-formatted data files is provided as “Supplementary file 2”. Phenotype data used for QTL mapping is provided as “Supplementary File 3”. A Perl script with the code for the simulation study is provided as “Supplementary file 4”.

GenotypingSimulator↗
DOE OSTI2020

Micrometer-accuracy 2D displacement interferometer with plasmonic metasurface resonators

In this Letter, a high-accuracy, two-dimensional displacement sensor is proposed, designed, and demonstrated based on the concept of an extrinsic Fabry–Perot Interferometer. The sensor is composed of two bundled single-mode optic fibers in parallel and two plasmonic metasurface resonators inscribed on a gold substrate via a focused ion beam. The fiber end surface and the metasurface are in parallel with a small cavity between. The cavity change or Z -component displacement is determined from the pattern of interference fringes. The X -component displacement, perpendicular to the Z component, is identified from wavelength-selective metasurface resonators, which possess unique resonant wavelengths due to different nanostructure designs. The sensor was calibrated with six displacements applied through a three-axis precision linear stage. Test results indicated that the proposed interferometer can measure displacements with a maximum error of 5.4 µm or 2.2%.

Guo, Chuanrui (ORCID:0000000271412972)↗
DOE OSTI2024

Reservoir Simulations and Accuracy Measures for CO 2 and Pressure Plumes for the Broom Creek Formation in Central North Dakota

Conference paper presented at 17th International Conference on Greenhouse Gas Control Technologies (GHGT-17), Calgary, Alberta, Canada, October 20–24, 2024. This study estimated the accuracy of the predicted 5-year carbon dioxide (CO 2 ) and pressure plumes for a hypothetical geological storage project injecting CO 2 into the Broom Creek Formation near central North Dakota.

01 COAL, LIGNITE, AND PEAT↗