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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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98 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Operation and Control of Electric Vehicle Charger with Enhanced Dynamic Performance Under Non-Ideal Grid Voltage Condition

This paper presents a three-phase electric vehicle charger connected to the grid, featuring multiple boost converters on the DC side, specifically designed to ensure smooth, oscillation-free power transfer during unsymmetrical voltage sags. Precise control mechanisms are implemented on the boost converter side to regulate both voltage and current on the electric vehicle side, thereby maintaining optimal charging conditions. The control architecture for both the grid-connected and boost converter components is based on the Lyapunov energy function, which is employed to achieve superior dynamic performance and stability. The system's robustness and reliability are demonstrated through its ability to maintain stable operation and efficient power transfer despite fluctuations in grid conditions. Furthermore, the implementation of Lyapunov-based control ensures rapid response and minimal energy loss, enhancing the overall efficiency of the system. To validate the effectiveness of this approach, a comprehensive model of the system was developed and tested using MATLAB/Simulink, with detailed computer simulations conducted across various significant case studies.

DC-DC boost converter↗
DOE OSTI2023

Rechargeable metal-metal alkaline batteries: Recent advances, current issues and future research strategies

Over the past few decades, remarkable advancement has been attained in the field of rechargeable metal–metal alkaline batteries (RABs). In terms of safety, energy density, charge-discharge capacity, and long-term storage capability, metal-metal RABs (e.g., Ni–Zn, Ni–Fe, Ni–Bi, Ni–MH, Ag–Zn, Co–Zn, Cu–Zn, and Bi–Zn systems) are contemplated as the promising energy storage devices for the applications in electric vehicles (EVs), hybrid EVs, grid-scale energy storage, as well as various implantable and wearable electronic devices. Especially, Ni-MH batteries become competitive with Li-ion batteries for EVs and hybrid EVs applications due to their high tolerance against mechanical abuse, stability under wide temperature ranges, and considerable charge/discharge capacity. Meanwhile, earlier works reviewed only specific topics, so, as a rapidly growing research topic, providing a deep understanding on metal–metal RABs is timely and worthwhile. So here, in this work, we discuss the electrochemistry of all metal-metal RABs, then full cell designing with their performance will be discussed thoroughly. Further, issues associated with the existing metal–metal RABs and corresponding improvement approaches will be provided for future advances in high-performance and reliable metal-metal RABs.

25 ENERGY STORAGE↗
DOE OSTI2024

Atomic scale etching of diamond: insights from molecular dynamics simulations

Diamond is a promising material for multiple applications in quantum information processing and sensing as well as applications in microelectronics. However, diamond devices can be limited by surface defects that compromise charge stability and spin coherence, among others. Improved strategies in plasma etching of diamond could play an important role in minimizing or eliminating these defects. In this work, we explore plasma-assisted atomic scale etching of diamond using argon ions (Ar + ), hydrogen ions (H + ) and hydrogen atoms (H). We employ classical molecular dynamics (MD) simulations and test several interatomic potentials based on the Reactive Empirical Bond Order (REBO) form with comparisons to a variety of published experimental results. We performed MD simulations of low-energy hydrogen ($\leqslant$50 eV) and argon ( $\leqslant$200 eV) ion bombardment of diamond surfaces. Ar + bombardment can be used to locally smooth initially rough diamond surfaces via the formation of an amorphous C layer, the thickness of which increases with argon ion energy. Subsequent exposure with hydrogen ions (or fast neutrals) will selectively etch this amorphous C layer, leaving the underlying diamond layer mostly intact if the H energy is maintained below about 10 eV. The simulations suggest that combining Ar + smoothing with selective, near threshold energy H removal of amorphous C can be an effective strategy for diamond surface engineering, leading to more reliable and sensitive diamond color center devices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Field‐representative evaluation of PID‐polarization in TOPCon PV modules by accelerated stress testing

Abstract Potential‐induced degradation‐polarization (PID‐p) can reduce module power, but how to project the extent to which PID‐p may occur in field conditions considering the factors of system voltage, condensed moisture, temperature, and illumination has not been clarified. Using tunnel oxide passivated contact (TOPCon) modules, this work demonstrates a method to test full‐size crystalline silicon PV modules for PID‐p to provide field‐representative results. In initial screening tests with positive or negative 1000 V electrical bias applied at 60°C for 96 h using Al foil electrodes on the glass surfaces, the module type exhibited reversible PID‐p only on the front face when the cell circuit was in negative voltage potential. No PID was detected on the rear after testing in either polarity. We then evaluated the PID‐p sensitivity on the front side under different UV irradiances while maintaining the glass surface wet to estimate real‐world susceptibility to PID‐p. The magnitude of the observed behavior was fit using a previously developed charge transfer and depletion by light model. Whereas power loss with −1000 V applied to the cell circuit at 60°C for 96 h in the dark was about 30%, testing the module front under 0.051 W·m −2 nm −1 at 340 nm UVA irradiation using fluorescent tubes, the mean degradation was only 3%. When the modules were tested in the dark for PID‐p with in situ dark current–voltage (I‐V) characterization, the thermal activation energy for degradation was 0.71 eV; for recovery in the dark, it was 0.58 eV. Whereas recovery from the degraded state at 60°C in the dark without voltage bias was 5% absolute in 38 h, rapid recovery of about 5% absolute was observed with 1000 W·s/m 2 exposure at 25°C using a flash tester.

14 SOLAR ENERGY↗
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)↗
NASA NTRSDate not supplied

In-Situ Reaction Monitoring for Lunar Applications Utilizing a Single Quadrupole Residual Gas Analyzer

With a revived focus to create a permeant presence on the moon and in preparation for future Mars exploration, it is imperative that all re-sources are utilized to their fullest potential. In-Situ Resource Utilization (ISRU) will be critical for future mission success as it would enable independent operation of missions while minimally relying on the complex supply chain created between the Earth, moon and Mars. One of the most critical resources that have been identified for ISRU is the creation of liquid oxygen (O2) for not only breathable air, but also for rocket fuel. On the moon and potentially Mars, one of the most O2 rich resources is in the presence of regolith. Although there are numerous minerals within regolith and various processes to extract O2, this is not the scope of this paper. Since the O2 extraction method can vary, a critical standardized analytical method is needed to verify O2 (or oxygenated precursor compounds) for extraction efficiency and purity. Our group utilizes a modified consumer off-the-shelf (COTS), Residual Gas Analyzer (RGA) Single Quadrupole Mass Spectrometer (QMS). Due to the current field mission requirements, the gas analysis module will need to rely only on mass-to-charge ratios (m/z) and peak intensities to differentiate and quantitate targeted gas-phase reactants or products, i.e. carbon monoxide (CO), carbon dioxide (CO2), methane (CH4) and hydrogen (H2). However, due to solar wind implanted volatiles and various other compounds present in lunar regolith, such as nitrogen (N2), helium (He), and deuterium (D2), deconvolution and quantification of isobaric compounds becomes quite difficult. Specifically, the presence of N2 makes quantification of CO, an oxygenated precursor, difficult due to both compounds having a peak at m/z 28. Approaches to differentiate isobaric components: Initially, the solution to overcome isobaric overlap was to use isotopic ratios, particularly be-tween carbon-13 and nitrogen-15. Although limited literature discuss isotopic composition and attempt to quantify the ratios, variation is particularly high and limited to a few lunar regolith samples. The following were identified as potential approaches to quantify isobaric species, N2 and CO, using our RGA. Threshold Ionization. CO and N2 both have peaks at m/z 28, but only N2 is capable of producing a peak at m/z 7. While a N2 peak at m/z 7 is generally rare, instrument parameters can be optimized in order to maximize the peak intensity. Typically a standard ionization energy of 70 eV is used to monitor a batch process and would produce reliable results for a majority of the reactants or products that we are interested in quantifying. However, to analyze the rare molecular fragment of N2 (N2+ at m/z 7), a different ionization energy may be beneficial. Threshold Ionization Mass Spectrometry (TIMS) will be explored to optimize the N2+ peak at m/z 7 by varying parameters such as ionization energy and pressure. Therefore, a quantitative value at m/z 7 will be used to determine the product gas concentration of N2, which will be subtracted from the total concentration determined at m/z 28 enabling us to approximate the amount of CO. Secondary Detector (infrared gas detector, IR). Another approach to quantitate and differentiate be-tween isobaric components is to leverage alternative modes of detection. Unlike mass spectrometry, which generally uses a separation step prior to analysis (i.e. gas chromatography), IR produces energy that is specifically absorbed depending on the bond and configuration of the molecule. This technique could be leveraged since it is generally only active on non-symmetric molecules, i.e. CO. Utilizing concentrations of CO determined from another detector could help correct concentrations of CO obtained from the QMS. However, the inclusion of another detector adds additional mission requirements, such as power, software changes and avionics updates that add additional cost and schedule requirements.

mass spectrometry↗
NASA NTRS2009

The Orbiting Wide-Angle Light Collectors (OWL) Mission for Charged-Particle Astronomy

The space-based OWL mission is designed to perform high-statistics measurements of ultra-high-energy cosmic rays (UHECR) using the Earth's atmosphere as a vast particle calorimeter, furthering the field of charged-particle astronomy. OWL has been developed in formal NASA instrument and mission studies and is comprised of two large telescopes separated by approx.600 km in 1000 km, near-equatorial orbits to stereoscopically image the near-UV air fluorescence emitted by UHECR-induced particle cascades. The High Resolution Fly's Eye (HiRes) Collaboration, and subsequently the Pierre Auger Observatory, recently reported confirmation of the expected Greisen-Zatsepin-Kuzmin (GZK) suppression of the UHECR flux above a few times 10(exp 19) eV. This observation is consistent with the majority of UHECR originating in astrophysical objects and reduces the need to invoke exotic physical processes. Particles observed above the GZK threshold energy must have come from sources within about 100 Mpc from the Earth. The small particle deflection angles expected at UHECR energies, with standard assumptions of extragalactic magnetic fields, are on the order of 1 degree. Thus by observing particles above the GZK threshold with sufficient exposure, there is the potential of identifying and characterizing individual UHECR sources. Auger has reported significant anisotropy in the arrival directions of UHECR at energies above about 6 10(exp 19) eV observed in the South, and a correlation to AGN in the 12th VCV catalog, suggesting that the sources of UHECR are traced by the distribution of luminous matter in the Universe. However, with similar statistics and the same event selection criteria, HiRes observations in the North are consistent with isotropy. Extended observations by Auger-South, by Telescope Array in the North, and possibly by the proposed Auger-North, will further these investigations. However, much greater exposures will be required to fully identify individual sources and measure their cosmic ray spectra. A five-year OWL mission would deliver approximately 10(exp 6)sq km/sr/yr of exposure with full aperture reached at approx. 10(exp 19) eV. The baseline 3 m optical aperture OWL telescopes with 45 degree full field-of-view are easily accomodated on a single conventional launch vehicle. On orbit, the simultaneous viewing of the same volume of atmosphere allows for precise stereo event reconstruction, which is nearly independent of the inclination of the particle track and tolerant of atmospheric conditions. The availability of monocular operation provides increased reliability or can be employed to increase the instantaneous aperture. In stereo mode, OWL is also capable of fully reconstructing horizontal or upward-moving showers and so has unmatched sensitivity to neutrino-induced events. The details of the OWL mission will he presented and its science capabilities will be discussed.

Mitchell, John↗
DOE OSTI2021

Calibration of the underground muon detector of the Pierre Auger Observatory

To obtain direct measurements of the muon content of extensive air showers with energy above 10 16.5 eV, the Pierre Auger Observatory is currently being equipped with an underground muon detector (UMD), consisting of 219 10 m 2 -modules, each segmented into 64 scintillators coupled to silicon photomultipliers (SiPMs). Direct access to the shower muon content allows for the study of both of the composition of primary cosmic rays and of high-energy hadronic interactions in the forward direction. As the muon density can vary between tens of muons per m 2 close to the intersection of the shower axis with the ground to much less than one per m 2 when far away, the necessary broad dynamic range is achieved by the simultaneous implementation of two acquisition modes in the read-out electronics: the binary mode, tuned to count single muons, and the ADC mode, suited to measure a high number of them. In this work, we present the end-to-end calibration of the muon detector modules: first, the SiPMs are calibrated by means of the binary channel, and then, the ADC channel is calibrated using atmospheric muons, detected in parallel to the shower data acquisition. The laboratory and field measurements performed to develop the implementation of the full calibration chain of both binary and ADC channels are presented and discussed. The calibration procedure is reliable to work with the high amount of channels in the UMD, which will be operated continuously, in changing environmental conditions, for several years.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗