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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Redox Gating for Colossal Carrier Modulation and Unique Phase Control

Redox gating, a novel approach distinct from conventional electrolyte gating, combines reversible redox functionalities with common ionic electrolyte moieties to engineer charge transport, enabling power-efficient electronic phase control. This study achieves a colossal sheet carrier density modulation beyond 10 16 cm -2 , sustainable over thousands of cycles, all within the sub-volt regime for functional oxide thin films. The key advantage of this method lies in the controlled injection of a large quantity of carriers from the electrolyte into the channel material without the deleterious effects associated with traditional electrolyte gating processes such as the production of ionic defects or intercalated species. The redox gating approach offers a simple and practical means of decoupling electrical and structural phase transitions, enabling the isostructural metal-insulator transition and improved device endurance. The versatility of redox gating extends across multiple materials, irrespective of their crystallinity, crystallographic orientation, or carrier type (n- or p-type). This inclusivity encompasses functional heterostructures and low-dimensional quantum materials composed of sustainable elements, highlighting the broad applicability and potential of the technique in electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simple and Robust Carrier-Based PWM Technique for Single-Stage Three-phase Rectifier Indirect Matrix Converter

Indirect matrix converters (IMC) can offer high efficiency, high power density, and bidirectional power flow capability with a single-stage three-to single-phase AC-AC power conversion integrating a conventional three-phase active rectifier with a primary side full-bridge inverter of a dual active bridge converter. However, the IMCs generally require space vector modulation techniques, leading to complex sectors and dwell times calculations. A practical implementation of the modulation methods with a commonly used digital signal processor becomes even more challenging when considering power factor correction, harmonics reduction, and deadtime between sector transitions. This paper proposes a simple and robust carrier-based pulse width modulation (PWM) technique determined through a voltage-source inverter (VSI) to current-source inverter (CSI) to IMC conversion. This translation enables the adoption of all conventional VSI control methods with active and reactive power control in the IMCs through simple carrier and reference waveform comparison. The VSI vectors are first one-on-one matched with CSI vectors and translated to IMC modulation signals without calculating sectors and dwell times. Nine different carrier waveforms are proposed, and the converter performance is analyzed. Grid current THD and efficiency are estimated for each modulation method. The symmetric A and B methods had the lowest THD of the grid current, 2.80%, and the efficiency remained at approximately 98.3%, making it the most suitable carrier-based method proposed in this paper. The space vector PWM (SVPWM) modulation method was implemented to the DSP and generated the expected twelve gate signals.

Benson, Mikayla↗
DOE OSTI2022

Coupled-DC Module-Based Photovoltaic System With Power Mismatch-Tolerated Modulation

Here, this article presents a coupled-DC power module-based cascaded multilevel converter integrating utility-scale photovoltaic (PV) generations (coupled-DC-link power module (CDPM)-PV). CDPM-PV inherits merits such as modular structure, distributed maximum power point tracking (MPPT), direct distribution grid access, from cascaded H-bridge-based PV (CHB-PV) system. But, it supplies more flexible power routes than CHB-PV, through coupling different DC-links. Power routes are intended for enlarging the entire operating range including conditions of active power mismatch arising from nonideal elements such as partial shading and parameter variations. The system construction with its self-balancing principle is first introduced. Switching states for different operating regions are then derived based on the principle of easing implementation. Based on these, a modulation strategy including initial switching pattern selection and coordinated power routing is proposed to allow module-mismatches. Operating ranges are also analyzed and compared with conventional CHB-PV. Simulation results of a 3-MW/13.8-kV system developed in MATLAB/Simulink platform, and experiment results based on a 2.4-kW/311-V setup are presented and have demonstrated that the CDPM-PV topology with proposed modulation strategy can not only ride through a larger range of module mismatches, but also improve solar power utilization and system efficiency owing to noncompromised MPPT.

14 SOLAR ENERGY↗
DOE OSTI2020

High Vapor Pressure Deficit Decreases the Productivity and Water Use Efficiency of Rain‐Induced Pulses in Semiarid Ecosystems

Abstract Intermittent rain events drive dynamic pulses of carbon and water exchange in many arid and semiarid ecosystems. Although soil moisture is known to control these pulses, the effect of atmospheric dryness on pulses is not well documented. Here we hypothesized that vapor pressure deficit ( VPD ) modulates net ecosystem production ( NEP ) and ecosystem‐scale water use efficiency ( WUE ) during pulse events due to its effects on canopy stomatal conductance and evapotranspiration. We quantified relationships between VPD and carbon and water exchange during growing season rain events and tested their generality across four semiarid flux sites with varied vegetation in the southwest United States. Across grassland, shrubland, and savanna sites, we found that high VPD during pulses suppressed ecosystem photosynthesis and surface conductance to a greater degree than respiration or evapotranspiration, particularly when soil moisture was high. Thus, periods of high VPD were associated with a 13–64% reduction in NEP and an 11–25% decrease in WUE , relative to moderate VPD conditions. Sites dominated by shrubs with the C3 photosynthetic pathway were more sensitive to VPD than sites dominated by C4 grasses. We found that a 1 kPa increase in VPD reduced the average NEP of pulse events by 13–56%, which illustrates the potential for projected increases in atmospheric demand to reduce the net productivity of semiarid ecosystems.

Roby, Matthew C.↗
DOE OSTI2022

Advances in SnO 2 for Efficient and Stable n-i-p Perovskite Solar Cells

Perovskite solar cells (PSCs) based on the regular n-i-p device architecture have reached above 25% certified efficiency with continuously reported improvements in recent years. A key common factor for these recent breakthroughs is the development of SnO 2 as an effective electron transport layer in these devices. In this review, we discuss the key advances in SnO 2 development, including various deposition approaches and surface treatment strategies, to enhance the bulk and interface properties of SnO 2 for highly efficient and stable n-i-p PSCs. We also discuss the general materials chemistry associated with SnO 2 along with the corresponding materials challenges and improvement strategies, focusing on defects, intrinsic properties, and impact on device characteristics. Finally, we highlight some SnO2 implementations related to scalable processes and flexible devices, and we also provide our perspective on the future development of efficient and stable large-scale perovskite solar modules.

14 SOLAR ENERGY↗
DOE OSTI2023

A deep learning model for automatic analysis of cavities in irradiated materials

Transmission electron microscopy (TEM) is a commonly used technique in materials science for defect investigation. Quantitative analysis of defects is important for understanding the properties of a material, but manual analysis of TEM micrographs can be time-consuming and prone to error, especially when the defects have irregular shapes rather than spherical shapes. Many existing methods or deep learning models do not handle a wide range of sizes for the same object type within a single image. In this work, we present a framework that enables users to train an instance segmentation model called Mask R- CNN on any microstructure dataset, perform multi-detection on the same image at different scales, and obtain properties (e.g., size, area) of the objects based on the desired shape (e.g., circle, ellipse, rectangle). Additionally, we have developed a parallel detection module that uses multiple GPUs to increase the efficiency of the object detection process. We demonstrate the capabilities of our framework using a set of TEM images of cavities with different shapes, size distributions, and background contrasts. Finally, we show that the performance of our model in terms of density, size, and swelling of the cavities is comparable to the human average and that our model achieves the highest recall value compared to existing methods due to the use of image multi-rescaling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Energy management systems for forecasted demand error compensation using hybrid energy storage system in nanogrid

This paper proposes an energy management system (EMS) for nanogrids to balance the power supply and forecasted demand in consideration of forecasting errors arising from high instantaneous demand. The proposed EMS employs a power-balancing optimization process for forecasted demand and a reference power modulation strategy for forecasting errors. This power-balancing optimization utilizes nanogrid sources, such as photovoltaics, fuel cells, and batteries, to meet forecasted demand and a supercapacitor charging process to overcome issues with a low energy density. The proposed reference power modulation strategy is utilized to allocate power from a hybrid energy storage system consisting of a battery and supercapacitor in order to compensate for forecasting errors. In addition, this proposed strategy considers battery and supercapacitor constraints such as the power changing rate and total power limitations. Further, the power-balancing optimization process also operates at faster sampling rate than the reference power modulation process in order to improve the computational efficiency. The performance of the proposed EMS is evaluated using real data obtained from the Korea Electric Power Exchange.

25 ENERGY STORAGE↗
DOE OSTI2022

Thermal-healing of lattice defects for high-energy single-crystalline battery cathodes

Abstract Single-crystalline nickel-rich cathodes are a rising candidate with great potential for high-energy lithium-ion batteries due to their superior structural and chemical robustness in comparison with polycrystalline counterparts. Within the single-crystalline cathode materials, the lattice strain and defects have significant impacts on the intercalation chemistry and, therefore, play a key role in determining the macroscopic electrochemical performance. Guided by our predictive theoretical model, we have systematically evaluated the effectiveness of regaining lost capacity by modulating the lattice deformation via an energy-efficient thermal treatment at different chemical states. We demonstrate that the lattice structure recoverability is highly dependent on both the cathode composition and the state of charge, providing clues to relieving the fatigued cathode crystal for sustainable lithium-ion batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Characterization of an unusual SARS-CoV-2 main protease natural variant exhibiting resistance to nirmatrelvir and ensitrelvir

We investigate the effects of two naturally selected substitution and deletion (Δ) mutations, constituting part of the substrate binding subsites S2 and S4, on the structure, function, and inhibition of SARS CoV-2 main protease. Comparable to wild-type, MPro D48Y/ΔP168 undergoes N-terminal autoprocessing essential for stable dimer formation and mature-like catalytic activity. The structures are similar, but for an open active site conformation in MPro D48Y/ΔP168 and increased dynamics of the S2 helix, S5 loop, and the helical domain. Some dimer interface contacts exhibit shorter H bond distances corroborating the ~40-fold enhanced dimerization of the mutant although its thermal sensitivity to unfolding is 8 °C lower, relative to wild-type. ITC reveals a 3- and 5-fold decrease in binding affinity for nirmatrelvir and ensitrelvir, respectively, and similar GC373 affinity, to MPro D48Y/ΔP168 relative to wild-type. Structural differences in four inhibitor complexes of MPro D48Y/ΔP168 compared to wild-type are described. Consistent with enhanced dynamics, the S2 helix and S5 loop adopting a more open conformation appears to be a unique feature of MPro D48Y/ΔP168 both in the inhibitor-free and bound states. Our results suggest that mutational effects are compensated by changes in the conformational dynamics and thereby modulate N-terminal autoprocessing, K dimer , catalytic efficiency, and inhibitor binding.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Modulation-slippage trade-off in resonant four-wave upconversion

Following up on a proposal to use four-wave mixing in an underdense plasma at mildly relativistic laser intensities to produce vastly more energetic x-ray pulses [V. M. Malkin and N. J. Fisch, Phys. Rev. E, 101, 023211 (2020)], we perform the first numerical simulations in one dimension to illustrate amplification of a short high frequency seed through four-wave mixing. Here, we illustrate how parasitic processes including phase modulation and spatial pulse slippage limit the amplification efficiency. Although the regimes studied were not where the optimal efficiencies were expected, these regimes do expose the basic physical processes at play, while still yielding not insignificant spectral power upshift.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Gallium Nitride Superjunction Fin Field Effect Transistor (Continued Funding Report)

The goal of this project is to develop the gallium vacancy assisted diffusion (GAID) method in GaN and apply it to demonstrate 2-terminal, 3-terminal, and large area Superjunction-enhanced modules. These devices will find use in high efficiency power conversion applications with the capability of operating at higher voltages, higher frequency, and less loss than comparable stat-of- the-art devices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Gallium Nitride Superjunction Transistor (Continued Funding Report)

The initial goal of this project is to develop the gallium vacancy assisted diffusion (GAID) method in GaN and apply it to demonstrate 2-terminal, 3-terminal, and large area Superjunction-enhanced modules. These devices will find use in high efficiency power conversion applications with the capability of operating at higher voltages, higher frequency, and less loss than comparable stat-ofthe-art devices. The approach of this project has been to utilize simulation tools to drive diffusion experiments and inform semiconductor device fabrication processes. VASP has been relied upon to simulate first principles diffusion mechanisms while SILVACO TCAD has been utilized to understand tradeoffs of the the critical dimensions in GaN devices.

42 ENGINEERING↗
DOE OSTI2025

Novel Modular Residential CCHP for Space Conditioning and Water Heating

This presentation will first describe the design of a novel modular residential cold-climate heat pump for both space conditioning and water heating that can be coupled with thermal energy storage (TES) to maximize system efficiency and load flexibility. Among some of the novel operating modes of the proposed design include: 1) simultaneous outdoor coil defrost while still providing space heating or water heating; 2) simultaneous water heating and space cooling 3) using the TES as the heat source during cold climate operation to improve efficiency and 4) compressorless charging of the TES module during days with high temperature swings between night and day. Then, initial simulation results will be presented describing system performance in key operating modes in climate region 5.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Quantifying the Value of Grid-Interactive Efficient Buildings through Field Study

Quantifying the annual energy impacts of efficient technologies in commercial buildings has been well established by the building science field. As we move toward enabling grid-interactive efficient buildings (GEB) targeting flexible building operation and carbon reduction, quantification methods to evaluate time-sensitive peak load and emissions impact are much less defined. A number of national laboratories are working to field validate four different GEB software solutions that provide the capability to control multiple building end-use systems in multiple load flexibility modes (i.e., energy efficiency, load shed, load shift, and possible load modulation at the second to sub-second level). To guide the laboratory leads in effective measurement and verification (M&V) practices, two of the laboratories collaborated to define metrics to quantify the impacts of flexible load control on building demand, utility costs, carbon emissions, facility management, and occupant comfort. This paper summarizes the proposed metrics to quantify peak load and emission impacts in the field, decision parameters, approaches to accurately conduct M&V, lessons learned, and outstanding needs and next steps.

Langner, Rois↗
DOE OSTI2020

Secondary Ion Mass Spectrometry (SIMS) for Chemical Characterization of Metal Halide Perovskites

Metal halide perovskite (MHP) solar cells have attracted much attention due to the rapidly growing power conversion efficiency that has reached 25.2% in a decade, comparable to established commercial photovoltaic modules. Compositional engineering is one of the most effective methods to boost the performance of MHP solar cells. Further improving the efficiency and the stability of MHP solar cells necessitates good understanding of the chemical–efficiency correlation and the chemical evolution during the degradation of MHP solar cells. In this regard, time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful tool to investigate the chemical aspect of MHPs and has played an important role in advancing the development of MHP optoelectronics. However, up to date, a review that can guide future utilization of ToF-SIMS in the MHP development is missing. In this paper, the capabilities of ToF-SIMS in MHP investigations are summarized and analyzed from simple material synthesis and chemical distribution to more complicated device operation mechanism and stability. The strength of ToF-SIMS in resolving important issues in this field, such as interface composition, ion migration, and degradation in MHP is highlighted. Finally, an outlook with an emphasis on making the utmost of ToF-SIMS in developing MHP devices is provided.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimal interconnection of three-terminal tandem solar cells

Three-terminal (3T) tandem solar cells require an adapted module integration scheme in order to explore their full efficiency potential. The three terminals allow to extract the power of the top and bottom cell separately. In a cell string, the wide bandgap top cells are interconnected in parallel to multiple bottom cells resulting in a parallel/series interconnection. This interconnection scheme affects the operation of the subcells, the resulting current path between the subcells, the layout of the cell interconnects, and the system level. Here, we analyze by simulations and experiments the aspects of the module integration of series- and reverse-connected 3T cells with their practical impact on module processes and performance as well as the effect of varying voltage ratios on the string-end losses. If the subcells are connected in series, the module integration requires insulation layers and significantly longer interconnects compared to devices with reverse-connected subcells. Tandem devices with a reverse connection and a voltage ratio between top and bottom cell of 2:1 allow a lean interconnection design and low integration losses. Here, we present an approach for the integration of bypass diodes for the protection against shading effects that allow to minimize string-end and shading losses for a system of modules featuring 3T cells.

14 SOLAR ENERGY↗
DOE OSTI2021

Engineering Second Sphere Interactions in a Host–Guest Multicomponent Catalyst System for the Hydrogenation of Carbon Dioxide to Methanol

Many enzymes utilize interactions extending beyond the primary coordination sphere to enhance catalyst activity and/or selectivity. Such interactions could improve the efficacy of synthetic catalyst systems, but the supramolecular assemblies employed by biology to incorporate second sphere interactions are challenging to replicate in synthetic catalysts. Herein, a strategy is reported for efficiently manipulating outer sphere influence on catalyst reactivity by modulating host–guest interactions between a noncovalently encapsulated transitionmetal-based catalyst guest and a metal–organic framework (MOF) host. This composite consists of a ruthenium PNP pincer complex encapsulated in the MOF UiO-66 that is used in tandem with the zirconium oxide nodes of UiO-66 and a ruthenium PNN pincer complex to hydrogenate carbon dioxide to methanol. Due to the method used to incorporate the complexes in UiO-66, structure–activity relationships could be efficiently determined using a variety of functionalized UiO-66-X hosts. These investigations uncovered the beneficial effects of the ammonium functional group (i.e., UiO-66-NH 3 + ). Mechanistic experiments revealed that the ammonium functionality improved efficiency in the hydrogenation of carbon dioxide to formic acid, the first step in the cascade. Isotope effects and structure–activity relationships suggested that the primary role of the ammonium functionality is to serve as a general Brønsted acid. Importantly, the cooperative influence from the host was effective only with the functional group in close proximity to the encapsulated catalyst. Here, reactions carried out in the presence of molecular sieves to remove water highlighted the beneficial effects of the ammonium functional group in UiO-66-NH 3 + and resulted in a 4-fold increase in activity. As a result of the modular nature of the catalyst system, the highest reported turnover number (TON) (19 000) and turnover frequency (TOF) (9100 h –1 ) for the hydrogenation of carbon dioxide to methanol are obtained. Moreover, the reaction was readily recyclable, leading to a cumulative TON of 100 000 after 10 reaction cycles.

08 HYDROGEN↗