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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Composition-Dependent Photoluminescence Properties and Anti-Counterfeiting Applications of A 2 AgX 3 (A = Rb, Cs; X = Cl, Br, I)

Copper(I) halides are emerging as attractive alternatives to lead halide perovskites for optical and electronic applications. However, blue-emitting all-inorganic copper(I) halides suffer from poor stability and lack of tunability of their photoluminescence (PL) properties. In this work, the preparation of silver(I) halides A 2 AgX 3 (A = Rb, Cs; X = Cl, Br, I) through solid-state synthesis is reported. In contrast to the Cu(I) analogs, A 2 AgX 3 are broad-band emitters sensitive to A and X site substitutions. First-principle calculations show that defect-bound excitons are responsible for the observed main PL peaks in Rb 2 AgX 3 and that self-trapped excitons (STEs) contribute to a minor PL peak in Rb 2 AgBr 3 . This is in sharp contrast to Rb 2 CuX 3 , in which the PL is dominated by the emission by STEs. Moreover, the replacement of Cu(I) with Ag(I) in A 2 AgX 3 significantly improves photostability and stability in the air under ambient conditions, which enables their consideration for practical applications. Thus, luminescent inks based on A 2 AgX 3 are prepared and successfully used in anti-counterfeiting applications. The excellent light emission properties, significantly improved stability, simple preparation method, and tunable light emission properties demonstrated by A 2 AgX 3 suggest that silver(I) halides may be attractive alternatives to toxic lead halide perovskites and unstable copper(I) halides for optical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Restructuring and integrity of molecular catalysts in electrochemical CO 2 reduction

Electrocatalysts that start a reaction as molecules do not always end the reaction as molecules, and even when they do, they might not be molecules during catalysis. In this Perspective, we discuss knowledge learned from the study of Cu-based molecularly structured electrocatalysts––including metal coordination complexes, metal-organic frameworks, single-atom catalysts, and polymeric materials––that restructure under electrochemical CO 2 reduction reactions. Recent reports are summarized with an emphasis on the nature and significance of post-mortem and in situ characterization for the proper identification of active sites. We demonstrate that molecular and material structures determine whether electrocatalysts restructure and how they restructure, that understanding of restructuring processes can help us identify active sites for catalysis, and that this knowledge can be leveraged to design precatalysts that generate highly active catalysts under reaction conditions. In addition, we provide recommended practices for studying the integrity of heterogeneous molecular catalysts during and after CO 2 reduction reactions.

CO2 reduction↗
DOE OSTI2022

CubeSat constellations provide enhanced crop phenology and digital agricultural insights using daily leaf area index retrievals

Satellite remote sensing has great potential to deliver on the promise of a data-driven agricultural revolution, with emerging space-based platforms providing spatiotemporal insights into precision-level attributes such as crop water use, vegetation health and condition and crop response to management practices. Using a harmonized collection of high-resolution Planet CubeSat, Sentinel-2, Landsat-8 and additional coarser resolution imagery from MODIS and VIIRS, we exploit a multi-satellite data fusion and machine learning approach to deliver a radiometrically calibrated and gap-filled time-series of daily leaf area index (LAI) at an unprecedented spatial resolution of 3 m. The insights available from such high-resolution CubeSat-based LAI data are demonstrated through tracking the growth cycle of a maize crop and identifying observable within-field spatial and temporal variations across key phenological stages. Daily LAI retrievals peaked at the tasseling stage, demonstrating their value for fertilizer and irrigation scheduling. An evaluation of satellite-based retrievals against field-measured LAI data collected from both rain-fed and irrigated fields shows high correlation and captures the spatiotemporal development of intra- and inter-field variations. Novel agricultural insights related to individual vegetative and reproductive growth stages were obtained, showcasing the capacity for new high-resolution CubeSat platforms to deliver actionable intelligence for precision agricultural and related applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Radiofrequency synthesiser with an intrinsic instability of 5 × 10{sup −15} at the averaging time of 1 s based on a femtosecond erbium-doped fibre laser

A radio-optical synthesiser intended for operation in a radio-frequency master oscillator with an optical He – Ne/CH{sub 4} frequency standard (λ = 3.39 μm) is developed on the basis of a femtosecond erbium-doped fibre laser. The synthesiser generates equidistant harmonics in the frequency range of 1 – 10 GHz with stability determined by the optical frequency standard. A stable supercontinuum spectrum is formed in the range around 1.06 μm, which provides stable 24-hour operation of the synthesiser and is important for practical applications in off-laboratory conditions. A direct comparison of the output frequencies of two synthesisers shows that the up-grade of the fibre laser and detection system of femtosecond pulses results in the synthesiser intrinsic instability of 5 × 10{sup −15} at the averaging time of 1 s. Such a value is by an order of magnitude less than that obtained in our earlier works. (laser frequency standards)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Small Bragg-plane slope errors revealed in synthetic diamond crystals

Wavefront-preserving X-ray diamond crystal optics are essential for numerous applications in X-ray science. Perfect crystals with flat Bragg planes are a prerequisite for wavefront preservation in Bragg diffraction. However, this condition is difficult to realize in practice because of inevitable crystal imperfections. Here, X-ray rocking curve imaging is used to study the smallest achievable Bragg-plane slope errors in the best presently available synthetic diamond crystals and how they compare with those of perfect silicon crystals. It is shown that the smallest specific slope errors in the best diamond crystals are about 0.08 (3) µrad mm -2 . These errors are only 50% larger than the 0.05 (2) µrad mm -2 specific slope errors measured in perfect silicon crystals. High-temperature annealing at 1450°C of almost flawless diamond crystals reduces the slope errors very close to those of silicon. Further investigations are in progress to establish the wavefront-preservation properties of these crystals.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Hierarchical Control of Utility-Scale Solar PV Plants for Mitigation of Generation Variability and Ancillary Service Provision

This paper presents a hierarchical control system to mitigate the variability of solar photovoltaic (PV) power plant and provide ancillary services to the electric grid without the need for additional non-solar resources. With coordinated management of each inverter in the system, the control system commands the power plant to proactively curtail a small fraction of its instantaneous maximum power potential, which gives the plant enough headroom to ramp up production from the overall power plant, for a service such as regulation reserve. This control system is practical for continuously changing cloud cover conditions in partially cloudy days. A case study from a site in Hawaii with one-second resolution solar irradiance data is used to verify the efficacy of the proposed control system. The proposed control algorithm is subsequently compared with the alternative control technology from the literature, the grouping control algorithm; the results show that the proposed hierarchical control system is over 10 times more effective in reducing generator mileage to support power fluctuations from solar PV power plants.

14 SOLAR ENERGY↗
DOE OSTI2022

Synchrotron-based techniques for characterizing STCH water-splitting materials

Understanding the role of oxygen vacancy–induced atomic and electronic structural changes to complex metal oxides during water-splitting processes is paramount to advancing the field of solar thermochemical hydrogen production (STCH). The formulation and confirmation of a mechanism for these types of chemical reactions necessitate a multifaceted experimental approach, featuring advanced structural characterization methods. Synchrotron X-ray techniques are essential to the rapidly advancing field of STCH in part due to properties such as high brilliance, high coherence, and variable energy that provide sensitivity, resolution, and rapid data acquisition times required for the characterization of complex metal oxides during water-splitting cycles. X-ray diffraction (XRD) is commonly used for determining the structures and phase purity of new materials synthesized by solid-state techniques and monitoring the structural integrity of oxides during water-splitting processes (e.g., oxygen vacancy–induced lattice expansion). X-ray absorption spectroscopy (XAS) is an element-specific technique and is sensitive to local atomic and electronic changes encountered around metal coordination centers during redox. While in operando measurements are desirable, the experimental conditions required for such measurements (high temperatures, controlled oxygen partial pressures, and H 2 O) practically necessitate in situ measurements that do not meet all operating conditions or ex situ measurements. Here, we highlight the application of synchrotron X-ray scattering and spectroscopic techniques using both in situ and ex situ measurements, emphasizing the advantages and limitations of each method as they relate to water-splitting processes. The best practices are discussed for preparing quenched states of reduction and performing synchrotron measurements, which focus on XRD and XAS at soft (e.g., oxygen K-edge, transition metal L-edges, and lanthanide M-edges) and hard (e.g., transition metal K-edges and lanthanide L-edges) X-ray energies. The X-ray absorption spectra of these complex oxides are a convolution of multiple contributions with accurate interpretation being contingent on computational methods. The state-of-the-art methods are discussed that enable peak positions and intensities to be related to material electronic and structural properties. Through careful experimental design, these studies can elucidate complex structure–property relationships as they pertain to nonstoichiometric water splitting. A survey of modern approaches for the evaluation of water-splitting materials at synchrotron sources under various experimental conditions is provided, and available software for data analysis is discussed.

08 HYDROGEN↗
DOE OSTI2022

On the Convergence of Inexact Predictor-Corrector Methods for Linear Programming

Interior point methods (IPMs) are a common approach for solving linear programs (LPs) with strong theoretical guarantees and solid empirical performance. The time complexity of these methods is dominated by the cost of solving a linear system of equations at each iteration. In common applications of linear programming, particularly in machine learning and scientific computing, the size of this linear system can become prohibitively large, requiring the use of iterative solvers, which provide an approximate solution to the linear system. However, approximately solving the linear system at each iteration of an IPM invalidates the theoretical guarantees of common IPM analyses. To remedy this, we theoretically and empirically analyze (slightly modified) predictor-corrector IPMs when using approximate linear solvers: our approach guarantees that, when certain conditions are satisfied, the number of IPM iterations does not increase and that the final solution remains feasible. We also provide practical instantiations of approximate linear solvers that satisfy these conditions for special classes of constraint matrices using randomized linear algebra.

Dexter, Gregory↗
DOE OSTI2025

Enhancing Metal‐Support Interactions of Ru Catalysts via Relaxation of Oxygen Vacancies for Hydrogen Production

The stability of Ru-based catalysts under harsh electrochemical conditions is a critical challenge limiting their practical application in energy conversion systems. In this study, Ru catalysts supported on ZrO 2-x , CeO 2-x , and ZrCeO 2-x are synthesized via pyrolysis of metal-organic frameworks (MOFs) and systematically evaluated to elucidate the role of support interactions on catalytic performance and durability. Advanced characterization techniques, including HR-TEM, XRD, XPS, and EXAFS, revealed that Ru-ZrCeO 2-x exhibited superior structural stability compared to Ru-ZrO 2-x and Ru-CeO 2-x , particularly under high-potential sweep (HPS) conditions. The incorporation of Ce into ZrO 2-x is shown to stabilize oxygen vacancies and enhance the interaction between Ru catalyst and the support, thereby mitigating catalyst degradation. Density functional theory (DFT) calculations further confirmed that Ce doping decreases formation energy of the oxygen vacancy, providing a thermodynamically favorable environment for Ru stabilization. This work demonstrates the promise of ZrCeO 2-x as a robust support material for Ru-based catalysts, advancing their potential for durable and efficient energy applications.

hydrogen evolution reaction↗
DOE OSTI2026

Revealing the coupled oxygen and hypochlorite chemistry in saltwater batteries through operando pH and oxygen monitoring

Saltwater batteries (SWBs) that utilize Na⁺ ions from seawater have emerged as promising candidates for low-cost and sustainable grid-scale energy storage. To date, the cathode reaction mechanism of SWBs has been predominantly described by oxygen evolution and reduction reactions (OER/ORR). However, this assumption is valid only under idealized ocean-like conditions with constant pH and continuous oxygen replenishment. In practical systems, SWBs operate in finite volumes of saltwater, where saltwater composition dynamically evolves during cycling. Here, in this work, we systematically investigate the cathode reaction mechanisms of SWBs under finite saltwater conditions using galvanostatic cycling combined with electrochemical diagnostics and operando monitoring of dissolved oxygen and pH. Our results reveal that the cathode chemistry during SWB operation is considerably more complex than previously assumed. In addition to OER and ORR, hypochlorite formation and consumption reactions, along with pH-dependent switching of dominant reaction pathways, play critical roles. We further identify the sequence and relative contributions of these reactions throughout charge–discharge cycling. These findings provide a comprehensive and mechanistically grounded understanding of SWB cathode processes under relatively realistic cell design and operation condition. The insights presented here establish a new framework for interpreting SWB electrochemistry and offer directions for future strategies aimed at improving performance, stability, and practical viability.

Hypochlorite redox reaction↗
DOE OSTI2022

Comparing and contrasting In-Vial and full-scale systems for sparging volatile analytes

Here, in-vial sparging was demonstrated as an effective, practical alternative to a full-scale sparging system for supporting the analysis of volatile constituents. Using elemental mercury (Hg 0 ) and toluene as representative purgeable analytes, the mass removal for various sparge configurations was measured and a reduced order model was developed and validated. In the primary experiments, Hg 0 in the sparge gas was trapped on activated carbon or gold, thermally desorbed, and quantified using atomic absorption or atomic fluorescence spectroscopy. Toluene experiments using the same in-vial sparge apparatus and sparge parameters were performed to demonstrate the applicability of the reduced order model to a broad range of compounds. Toluene removal was tracked by measuring the remaining toluene in sparged aliquots using Ultraviolet-visible (UV–Vis) spectroscopy. For the sparging, flow rates varied from 25 to 75 mL/min for periods from 0 to 30 min. Sparge performance, mass removal as a function of time, and sparge gas volume were measured for both in-vial and full-scale systems. A model based on dimensionless Henry's Law coefficient, normalized sparge gas volume, and fractional extent of equilibrium matched the experimental data for both compounds and provides a practical tool for future applications. For the conditions tested in this study, the calibrated model indicated that the sparge gas in the in-vial system reached approximately 33% of its equilibrium value before exiting the water surface, while a full-scale system reached approximately 100%. The tests validated the quality, reproducibility, and predictability of sparging performance for both full scale and in-vial sparge systems. Related factors such as waste generation, worker risk, and labor were also assessed. Full scale sparge systems provide the advantage of lower detection levels due to larger sample volume, while the in-vial sparge systems provide advantages for most other factors; including automatability, reducing secondary wastes, lessening the need to clean and check the sparge apparatus, and lowering labor and costs. The data and associated reduced order model support continued development and deployment of in-vial sparge platforms as a practical option for analysis of purgeable analytes such as volatile organic compounds and volatile metals/organometallics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Enhancing Multi-Step Reservoir Inflow Forecasting: A Time-Variant Encoder–Decoder Approach

Accurate reservoir inflow forecasting is vital for effective water resource management. Reliable forecasts enable operators to optimize storage and release strategies to meet competing sectoral demands—such as water supply, irrigation, and hydropower scheduling—while also mitigating flood and drought risks. To address this need, in this study, we propose a novel time-variant encoder–decoder (ED) model designed specifically to improve multi-step reservoir inflow forecasting, enabling accurate predictions of reservoir inflows up to seven days ahead. Unlike conventional ED-LSTM and recursive ED-LSTM models, which use fixed encoder parameters or recursively propagate predictions, our model incorporates an adaptive encoder structure that dynamically adjusts to evolving conditions at each forecast horizon. Additionally, we introduce the Expected Baseline Integrated Gradients (EB-IGs) method for variable importance analysis, enhancing interpretability of inflow by incorporating multiple baselines to capture a broader range of hydrometeorological conditions. The proposed methods are demonstrated at several diverse reservoirs across the United States. Our results show that they outperform traditional methods, particularly at longer lead times, while also offering insights into the key drivers of inflow forecasting. These advancements contribute to enhanced reservoir management through improved forecasting accuracy and practical decision-making insights under complex hydroclimatic conditions.

58 GEOSCIENCES↗
DOE OSTI2022

Editorial: Particulate Matter Emissions From Conventional and Reformulated Fuel Combustion: Advances in Experiments and Simulations

Particulate matter (PM or soot) emissions generated by combustion of conventional and reformulated fuels adversely impact the environment and human health (Bond et al., 2013; Landrigan et al., 2018; World Health Organization (WHO), 2016), generating public awareness and motivating efforts towards the mitigation of their harmful effects. Soot formation is one of the most complex phenomena in combustion, involving interactions between combustion chemistry, fluid mechanics, mass/heat transport, and particle dynamics, spanning different spatial and temporal scales. A fundamental understanding of soot formation process is thus necessary to achieve a strong reduction of PM emissions and design cleaner and more efficient combustion systems. This has motivated a longstanding and ongoing research activity aimed at improving our understanding of the physical and chemical processes involved in soot formation, well reviewed in these recent works (Wang and Chung, 2019; Michelsen et al., 2020; Martin et al., 2022). Despite the wide interest, the transition from gas-phase molecules to incipient soot particles is still elusive and the successive particle growth and oxidation processes are far from being fully understood, especially in conditions relevant to real-world applications. Recent advances in combustion PM emission diagnostic and computational capabilities helped in improving the predictability of fundamental chemical and aerosol models for practical applications, thus tackling some of the above-mentioned challenges. The aim of this research topic is to display the ongoing research efforts in addressing the existing gaps on particulate formation from various fuel sources and in conditions typical of practical combustion applications (e.g. flames, engines, pool fires), through both experimental and numerical approaches.

42 ENGINEERING↗
DOE OSTI2022

A tandem radiative/evaporative cooler for weather-insensitive and high-performance daytime passive cooling

Radiative cooling and evaporative cooling with low carbon footprint are regarded as promising passive cooling strategies. However, the intrinsic limits of continuous water supply with complex systems for evaporative cooling, and restricted cooling power as well as the strict requirement of weather conditions for radiative cooling, hinder the scale of their practical applications. Here, we propose a tandem passive cooler composed of bilayer polymer that enables dual-functional passive cooling of radiation and evaporation. Specifically, the high reflectivity to sunlight and mid-infrared emissivity of this polymer film allows excellent radiative cooling performance, and its good atmospheric water harvesting property of underlayer ensures self-supply of water and high evaporative cooling power. Consequently, this tandem passive cooler overcomes the fundamental difficulties of radiative cooling and evaporative cooling and shows the applicability under various conditions of weather/climate. It is expected that this design can expand the practical application domain of passive cooling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

A Fast‐Charging and High‐Temperature All‐Organic Rechargeable Potassium Battery

Abstract Developing fast‐charging, high‐temperature, and sustainable batteries is critical for the large‐scale deployment of energy storage devices in electric vehicles, grid‐scale electrical energy storage, and high temperature regions. Here, a transition metal‐free all‐organic rechargeable potassium battery (RPB) based on abundant and sustainable organic electrode materials (OEMs) and potassium resources for fast‐charging and high‐temperature applications is demonstrated. N‐doped graphene and a 2.8 m potassium hexafluorophosphate (KPF 6 ) in diethylene glycol dimethyl ether (DEGDME) electrolyte are employed to mitigate the dissolution of OEMs, enhance the electrode conductivity, accommodate large volume change, and form stable solid electrolyte interphase in the all‐organic RPB. At room temperature, the RPB delivers a high specific capacity of 188.1 mAh g −1 at 50 mA g −1 and superior cycle life of 6000 and 50000 cycles at 1 and 5 A g −1 , respectively, demonstrating an ultra‐stable and fast‐charging all‐organic battery. The impressive performance at room temperature is extended to high temperatures, where the high‐mass‐loading (6.5 mg cm −2 ) all‐organic RPB exhibits high‐rate capability up to 2 A g −1 and a long lifetime of 500 cycles at 70–100 °C, demonstrating a superb fast‐charging and high‐temperature battery. The cell configuration demonstrated in this work shows great promise for practical applications of sustainable batteries at extreme conditions.

25 ENERGY STORAGE↗
DOE OSTI2024

Quantitative near-field water–air spray measurements at elevated pressures by neutron radiography imaging

Extensive experimental research on high-pressure spray has been conducted for decades to deepen our understanding and optimize its use in transportation, aviation, and propulsion applications; however, the near-field and in-nozzle flow characteristics are not fully understood. Dense near-field spray is among the most challenging diagnostic tasks since light is severely scattered and diffused by the liquid droplets and columns. In this work, the near-field spray and in-nozzle flow characteristics of an aeration nozzle at elevated pressures were characterized by neutron radiography imaging at the Oak Ridge National Laboratory High Flux Isotope Reactor. Neutron imaging benefits via strong penetration depths for some metals (i.e., aluminum, lead, and steel) and is sufficiently sensitive to detection of light elements, especially for hydrogen-based molecules, due to the large incoherent scattering cross section of neutrons. Both two-dimensional snapshots of the near-field spray and a three-dimensional tomographic scan of the nozzle geometry and in-nozzle water were obtained. This work provides new quantitative characterization of practical metal nozzle geometry for accurate boundary conditions, internal flow patterns inside the nozzle, and high-pressure spray flows. In conclusion, the findings may be used to improve performance and operating conditions of transportation vehicles and propulsion systems.

42 ENGINEERING↗
DOE OSTI2022

Ordered CoPt oxygen reduction catalyst with high performance and durability

A high-performance and durable polymer electrolyte membrane fuel cell cathode catalyst composed of an ordered L10–CoPt core and a thin Pt shell was designed and prepared. Under practical fuel cell membrane electrode assembly testing conditions, the cathode catalyst showed an outstanding initial mass activity of 0.6 A/mgPt, which satisfies the U.S. Department of Energy performance target while also meeting the durability target of less than 40% loss in mass activity after 30,000 accelerated stress test voltage cycles. The high structural stability of the L10–CoPt@Pt-shell catalyst was confirmed by postmortem materials characterization, and the origin of this robustness was revealed by density functional theory calculations, where the barriers for diffusion of Co atoms were observed to be significantly increased in the ordered intermetallic core.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗