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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Solubility Predictions for Hanford Tank Concentrates with HSC - 20459

The commercially available Outotec HSC 9.9.0{sup R} provides excellent predictions for the solubilities of many species for Hanford waste tank concentrates. The HSC solubility predictions with a Harvie activity model agreed well with five boildowns that showed solubility limits for NaNO{sub 3}, NaNO{sub 2}, Na{sub 2}CO{sub 3}, NaF, Na{sub 2}SO{sub 4}, and Na{sub 3}PO{sub 4}. However, the HSC did not predict density and therefore water content very well and therefore we used the measured densities and derived water content from the difference between measured density and assays. Furthermore, we adjusted the HSC enthalpy for the minor species Na{sub 3}PO{sub 4}*NaF double salt in order to fit the five boildowns as well. Previous work has shown that gibbsite becomes and remains supersaturated in all of these boildowns and so there was no alumina precipitation despite supersaturation. Furthermore, an equilibrium model like HSC always shows complete oxidation of any TOC in the presence of nitrate and nitrite. We therefore suppressed the HSC oxidation of acetate and oxalate in order to fit measured acetate and oxalate solubilities as TOC. Space in Hanford waste tanks is very limited and therefore evaporator campaigns continue to recover needed tank space from dilute tank liquids. Prior to each evaporator campaign, a boildown of a sample of tank liquid for each campaign provides a basis for planning by measuring density, water activity, soluble species, and solids precipitation as a function of concentration at 18 deg. C. These boildowns then provide validations and calibrations for the HSC solubility prediction for Hanford wastes. Previous work has shown the solubilities of minor electrolytes in these five boildowns follow rather simple power law solubility products. Hanford's 222-S laboratory has reported each of five boildowns for concentrated liquids from five waste tanks and tank blends. All boildowns eventually showed the precipitation of the dominant electrolyte, NaNO{sub 3}, and overall solution activity largely drives all solubility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Privacy Preservation from High-Performance Computing to Autonomous Science [Industrial and Governmental Activities]

High-Performance Computing (HPC) and Leadership-Class Supercomputing are driving forces behind scientific advancements, enabling researchers to tackle complex challenges in physics, chemistry, biology, and engineering. These systems power vast simulations and data analyses, fueling discoveries in fields ranging from materials science to climate modeling. However, their use often involves processing sensitive data—such as proprietary industry simulations, biomedical records, and national security computations—posing significant privacy concerns. In conclusion, this issue is amplified in collaborative environments like Department of Energy (DOE) user facilities, where HPC resources are shared across institutions to foster innovation.

Kotevska, Olivera [Oak Ridge National Laboratory (↗
DOE OSTI2025

Uranyl Capture and Activation with Lewis Acids and Macrocyclic Hosts (Final Technical Report)

This document is the final report for the project with the title, “Uranyl Capture with Lewis Acids and Macrocyclic Hosts.” Nuclear power is attractive for meeting the current and future energy needs of society, in that it does not release carbon dioxide or other pollutants into the atmosphere during routine use. This motivated the project, because preparation of nuclear fuel, recovery of useful components from used fuel, and handling of waste materials remain significant impediments to further deployment of important nuclear technologies. In part, these problems arise from limited availability of chemical reactions that can reliably interconvert forms of uranium and other heavy elements during preparation and processing. For example, harsh and expensive chemicals are often required for making and breaking chemical bonds to uranium, and the reactions involved are inefficient. The overall objective of this research was to harness knowledge of chemical structure and bonding to develop a useful and predictive und

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

System Study: High-Pressure Safety Injection 1998-2024

This report presents an unreliability evaluation of the high-pressure safety injection system (HPSI) at 62 U.S. commercial operating nuclear reactors. New Standardized Plant Analysis Risk (SPAR) models with the most recent SPAR parameter update results were used in this report. Demand, run hour, and failure data from calendar years 1998 to 2024 for selected components were obtained from the Institute of Nuclear Power Operations Industry Reporting and Information System. The unreliability results are trended for the most recent 10-year period and yearly estimates for system unreliability are provided for the entire active period. Statistically significant decreasing trends were identified in both the HPSI system start-only unreliability and 24-hour mission unreliability.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

High-Efficiency and Low-Carbon Energy Storage and Power Generation System for Electric Aviation

This report summarizes the work performed by University of California San Diego (UCSD) – Honeywell Aerospace (Honeywell) team for the U.S. Department of Energy/Advanced Research Projects Agency-Energy (DOE/ARPA-E) under Phase 1 (April 2021 – October 2023) project, Cooperative Agreement DE-AR0001347 entitled “High-Efficiency and Low-Carbon Energy Storage and Power Generation System for Electric Aviation”. The main objective of this project is to develop and demonstrate an energy storage and power generation (ESPG) system operating on bio liquid natural gas (LNG) for electric aviation applications. The ESPG system concept in this project is a fuel cell, battery, and gas turbine hybrid system that incorporates an innovative solid oxide fuel cell (SOFC) technology. This SOFC technology has two main novel elements: (i) a lightweight and compact stack architecture that consists of cells and cell modules in electrical parallel and series connections (the module design) and (ii) exceptionally high performance, direct methane thin-film cells on porous substrate made by sputtering deposition process. This fuel cell has the specific power and volumetric power density suitable for electric aviation applications. Based on the current status of the SOFC technology, the Phase 1 work focused on the following activities: (i) ESPG System Modeling – to design and optimize an aircraft SOFC-based ESPG system concept that met the performance, weight and cost targets; (ii) Cell Material Development and Scaleup – to demonstrate scalability of the sputtering process for manufacture of thin-film SOFC cells of practical sizes, confirm the exceptional performance of sputtered cells, improve cell stability and durability for operation with hydrogen and methane fuel, and develop a suitable electrically conducting porous substrate to replace the current non-conducting ceramic substrate; (iii) Stack Development – to design and manufacture stack components for the stack architecture, evaluate and select a suitable sealant, and build and operate multi-cell stacks to demonstrate stack operation, and (iv) Technology to Market – to develop business models and commercialization plans, conduct various market and technology analysis and estimate SOFC and ESPG system costs.

25 ENERGY STORAGE↗
DOE OSTI2023

Performance Comparison of Helium and sCO 2 as Coolants for Modular Finger-Type Divertors

Several studies at the Georgia Institute of Technology have evaluated the thermal and fluids performance of the helium-cooled modular divertor with multiple jets (HEMJ) over the past decade. This finger-type divertor was studied both experimentally at nearly prototypical conditions and numerically at fully prototypical operating conditions using experimentally validated simulations. Recently, supercritical carbon dioxide (sCO 2 ) has been studied as the primary coolant in power cycles and other applications in various systems, in part because CO 2 achieves the high densities typical of supercritical fluids at relatively low temperatures and pressures, with a critical point of (7.38 MPa, 31°C). This density makes it possible to realize very compact and efficient sCO 2 power cycles. The feasibility of sCO 2 as a coolant for plasma-facing components, specifically the divertor, was therefore evaluated as part of the Fusion Energy System Studies design study activities. This work compares the thermal-fluid performance of helium and sCO 2 in the HEMJ divertor geometry using numerical simulations at prototypical conditions: inlet temperatures T i = 600°C to 700°C, pressures p ≈ 10 MPa, and steady-state incident heat fluxes on the tile q″ < 17 MW/m 2 . The performance is quantified here as the maximum heat flux that can be accommodated by the plasma-facing tile, the pumping power fraction, defined as the ratio of the coolant pumping power to the incident thermal power, and the operating stress limits based on ASME pressure vessel criteria. As expected, helium requires lower mass flow rates and pumping power fractions within imposed maximum temperature limits for the HEMJ pressure boundary. However, it also appears that neither helium nor sCO 2 can remove 10 MW/m 2 of incident heat flux while meeting ASME pressure vessel criteria. Finally, the numerical modeling reveals that sCO 2 may remove slightly higher incident heat fluxes than helium due to the imposed stress limits due to the sCO 2 coolant resulting in smaller local temperature gradients, albeit at a considerably higher pumping power fraction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Congestion Management Solutions for Enhanced Distribution System Operations with Aggregated Distribution Grid Resources Providing Grid Services and Market Participation

Microgrids and other aggregations of distribution grid resources (DGRs) are poised to actively participate in electricity markets and provide essential grid services in the coming years. In fact, DGRs already play such a role through behind-the-meter (BTM) demand response programs and small-scale BTM dispatchable generation initiatives. At the same time, the rapid growth of artificial intelligence (AI) and cryptocurrency datacenters imposes significant, often unpredictable, demands on the power distribution system. Aggregated DGRs can serve as flexible resources that help mitigate these pressures by using available transmission and distribution capacity more efficiently, supporting resource adequacy and other reliability services, and providing bridge strategies while long-term transmission infrastructure is being developed. The impacts this activity will have on distribution networks are not fully understood and could present significant challenges for distribution utilities due to capacity constraints and the need for congestion management. Technical issues include reverse power flow, variability and possible degradation of equipment integrity, voltage violations, and customer power quality concerns. These issues will likely intensify as electricity market operators across the United States implement Federal Energy Regulatory Commission Order 2222 over the next few years.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Blackstart Capability and Survivability of Wind Turbines with Fully Rated Converters

We report the blackstart capability of wind turbines is critical for the recovery of wind-dominant power systems from blackouts. If wind power plants are not able to restore a power system, the incorporation of wind resources into electric grids could be limited by blackstart capability. This paper tackles this problem by setting forth a grid-forming controller for Type 4 wind turbines which employ fully rated power converters. To this end, we engineer two-axis anti-windup proportional-integral regulators that serve to ride through restoration disturbances. We also design an active protection system to prevent wind turbines from stalling during recovery from blackouts. We demonstrate in a high-fidelity simulation environment that Type 4 wind turbines with the developed controllers and protection subsystem can: (i) re-energize a notional wind-dominant grid; (ii) ride through asymmetrical faults; and (iii) survive low wind speed events.

17 WIND ENERGY↗
DOE OSTI2020

Navy Ratchets Up Resilience Through Agency/Utility Collaboration

The Naval Construction Battalion Center (NCBC) in Gulfport, Mississippi, and Mississippi Power Company (MPC) have integrated a 15-acre solar photovoltaic (PV) array, battery storage, and backup generation with an innovative microgrid. The Navy and utility teams are helping ensure mission readiness at NCBC while increasing renewable energy generation on the grid in MPC's service area. The NCBC/MPC resilience effort will allow the base to more effectively deploy disaster recovery activities in the event of a grid outage.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Bat Smart Curtailment: Efficacy and Operational Testing

Curtailment, or blanket curtailment, is a leading method to mitigate the impacts to bats from operating wind turbines. Although this strategy results in considerable decreases in bat fatalities, it also results in decreased energy production. In 2019, Natural Power was awarded funding by the Department of Energy to assess the readiness of the informed smart curtailment technology, EchoSense (formerly referred to as Detection and Active Response Curtailment, [DARC]). The research undertaken by this project expands the understanding of alternative methods, known as smart curtailment, to maintain a reduction in bat fatalities while simultaneously recovering lost energy associated with blanket curtailment. The overall project was composed of three major tasks; Task 1 was focused on cybersecurity compliance of the EchoSense system in accordance with the North American Electric Reliability Corporation Critical Infrastructure Protection (“NERC CIP”) standards, Task 2 assessed the mechanical loads exerted on turbines when operating under a smart curtailment regime, and Task 3 assessed the efficacy of the EchoSense system at an operational wind farm. Regarding Task 1, an external review by the National Renewable Energy Laboratory determined that the EchoSense system did not create any new cybersecurity weaknesses and was compliant with the NERC CIP standards. As a result of this process, Natural Power developed some best practices (10.1) for wind- wildlife technology developers. In conjunction with the National Renewable Energy Laboratory, the results (10.2) of the loads testing demonstrated that the periodic curtailment and release of turbines by the EchoSense system did not have any detrimental impact on the mechanical components of a wind turbine (Task 2). During the late summer to fall of 2020 and 2021, Natural Power demonstrated that the use of the EchoSense smart curtailment system resulted in no significant difference in bat fatalities compared to blanket curtailment with cut-in speeds at 6.9 m/s (2020) and 5.0 m/s (2021) while resulting in a significant difference in decreased lost energy (Task 3). This translates to an average of 41% (2020) and 56% (2021) reduction in per turbine energy loss compared to blanket curtailment. The reduction in energy loss that would have been achieved by EchoSense curtailment compared to blanket curtailment, if applied across all 69 turbines, is roughly equivalent to having an additional turbine on site. These results are notable for finding a balance between the environmental impact of wind energy and the economic feasibility in energy production associated with mitigating that impact. https://www.naturalpower.com/us/expertise/service/engineering-operations/echosense

17 WIND ENERGY↗
DOE OSTI2025

In Situ Electrochemistry of Buried Interfaces in Metal Halide Perovskites: Probing Energy Bands, Halide Redox Activity, and Kinetics

Control over charge injection and extraction processes across buried interfaces is fundamental for all (opto)electronic multilayer device platforms, necessitating detailed understanding of local structural and chemical differences that promote defect formation, distort energetic band-edge alignments, and alter charge transport processes. Herein, the implementation of a low-cost electroanalytical methodologies’ tool suite is described to quantitatively characterize buried interfaces and redox reactions in printable, mixed electrical–ionic, and redox-active metal halide perovskites and a prototypical hole-transporting nickel oxide (NiO x ) thin film. The objective is to demonstrate the power of electrochemical methodologies to improve the nanoscale understanding of complex interfaces within optoelectronic devices by providing case studies on how to: i) differentiate between electronic and chemical properties in NiO x contacts; ii) measure changes in reversibility of halide redox reactions via NiO x surface states; iii) assess energy alignment and charge transport across (modified) buried interfaces; and iv) quantify defects at buried interfaces that change with modifiers and differences in perovskite processing, including increasing defect concentrations when films are slot-die-coated versus spin-cast. The collective approach addresses major challenges in understanding the precise energy landscape and interface reactivity under relevant electric fields that mimic operando conditions (away from equilibrium) and across length scales in thin film device formats.

(spectro)electrochemistry↗
DOE OSTI2021

Possibility of an integrated transmission electron microscope: enabling complex in-situ experiments

Abstract Multimodal in-situ experiments are the wave of the future, as this approach will permit multispectral data collection and analysis during real-time nanoscale observation. In contrast, the evolution of technique development in the electron microscopy field has generally trended toward specialization and subsequent bifurcation into more and more niche instruments, creating a challenge for reintegration and backward compatibility for in-situ experiments on state-of-the-art microscopes. We do not believe this to be a requirement in the field; therefore, we propose an adaptive instrument that is designed to allow nearly simultaneous collection of data from aberration-corrected transmission electron microscopy (TEM), probe-corrected scanning transmission electron microscopy, ultrafast TEM, and dynamic TEM with a flexible in-situ testing chamber, where the entire instrument can be modified as future technologies are developed. The value would be to obtain a holistic understanding of the underlying physics and chemistry of the process-structure–property relationships in materials exposed to controlled extreme environments. Such a tool would permit the ability to explore, in-situ, the active reaction mechanisms in a controlled manner emulating those of real-world applications with nanometer and nanosecond resolution. If such a powerful tool is developed, it has the potential to revolutionize our materials understanding of nanoscale mechanisms and transients. Graphical Abstract

36 MATERIALS SCIENCE↗
DOE OSTI2023

Outstanding Platinum Group Metal-free Bifunctional Catalysts for Rechargeable Zinc-Air Batteries

Developing highly active and durable catalysts for zinc-air batteries (ZAB) is critical for energy conversion and storage. Herein, we prepared Fe-N-C catalysts at a kilogram scale by the commercial VariPore™ method and the effect of synthesis conditions on the catalyst performance at ZAB air electrode was investigated. The results show the PA-450-HT exhibits excellent electrocatalytic activity toward oxygen reduction reaction (ORR) and it is the most suitable catalyst for primary ZAB with the galvanostatic polarization discharge peak power density of 149 mW cm -2 , outperforming commercial Pt-Ru/C catalysts. Additionally, the NCB-600-HT catalyst displays the half-wave potential of 0.87 V vs. RHE for ORR and ΔE value of 0.81 V (indicating outstanding ORR and OER reversibility) and exhibits excellent charge-discharge cycling durability similar to NCB-550-LT around 160 h for the secondary ZAB. This work reports outstanding bifunctional Fe-N-C catalysts for rechargeable ZAB at mass production for the first time.

25 ENERGY STORAGE↗
DOE OSTI2022

Structure Matters: Asymmetric CO Oxidation at Rh Steps with Different Atomic Packing

Curved crystals are a simple but powerful approach to bridge the gap between single crystal surfaces and nanoparticle catalysts, by allowing a rational assessment of the role of active step sites in gas-surface reactions. Using a curved Rh(111) crystal, here, we investigate the effect of A-type (square geometry) and B-type (triangular geometry) atomic packing of steps on the catalytic CO oxidation on Rh at millibar pressures. Imaging the crystal during reaction ignition with laser-induced CO 2 fluorescence demonstrates a two-step process, where B-steps ignite at lower temperature than A-steps. Such fundamental dissimilarity is explained in ambient pressure X-ray photoemission (AP-XPS) experiments, which reveal partial CO desorption and oxygen buildup only at B-steps. AP-XPS also proves that A-B step asymmetries extend to the active stage: at A-steps, low-active O–Rh–O trilayers buildup immediately after ignition, while highly active chemisorbed O is the dominant species on B-type steps. We conclude that B-steps are more efficient than A-steps for the CO oxidation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Third harmonic characterization of antiferromagnetic heterostructures

Abstract Electrical switching of antiferromagnets is an exciting recent development in spintronics, which promises active antiferromagnetic devices with high speed and low energy cost. In this emerging field, there is an active debate about the mechanisms of current-driven switching of antiferromagnets. For heavy-metal/ferromagnet systems, harmonic characterization is a powerful tool to quantify current-induced spin-orbit torques and spin Seebeck effect and elucidate current-induced switching. However, harmonic measurement of spin-orbit torques has never been verified in antiferromagnetic heterostructures. Here, we report harmonic measurements in Pt/ α -Fe 2 O 3 bilayers, which are explained by our modeling of higher-order harmonic voltages. As compared with ferromagnetic heterostructures where all current-induced effects appear in the second harmonic signals, the damping-like torque and thermally-induced magnetoelastic effect contributions in Pt/ α -Fe 2 O 3 emerge in the third harmonic voltage. Our results provide a new path to probe the current-induced magnetization dynamics in antiferromagnets, promoting the application of antiferromagnetic spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Combining chemistry and protein engineering for new-to-nature biocatalysis

Biocatalysis, the application of enzymes to solve synthetic problems of human import, has blossomed into a powerful technology for chemical innovation. In the past decade, a threefold partnership, where nature provides blueprints for enzymatic catalysis, chemists introduce innovative activity modes with abiological substrates, and protein engineers develop new tools and algorithms to tune and improve enzymatic function, has unveiled the frontier of new-to-nature enzyme catalysis. In this Perspective, we highlight examples of interdisciplinary studies, which have helped to expand the scope of biocatalysis, including concepts of enzymatic versatility explored through the lens of biomimicry, to achieve activities and selectivities beyond those currently possible with chemocatalysis. We indicate how modern tools, such as directed evolution, computational protein design and machine learning-based protein engineering methods, have already impacted and will continue to influence enzyme engineering for new abiological transformations. As a result, a sustained collaborative effort across disciplines is anticipated to spur further advances in biocatalysis in the coming years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

$t_1$-Noise eliminated dipolar heteronuclear multiple-quantum coherence solid-state NMR spectroscopy

Heteronuclear correlation (HETCOR) spectroscopy is one of the key tools in the arsenal of the solid-state NMR spectroscopist to probe chemical and spatial proximities between two different nuclei and enhance spectral resolution. Dipolar heteronuclear multiple-quantum coherence (D-HMQC) is a powerful technique that can be potentially utilized to obtain 1 H detected 2D HETCOR solid-state NMR spectra of any NMR active nucleus. A long-standing problem in 1 H detected D-HMQC solid-state NMR experiments is the presence of t 1 -noise which reduces sensitivity and impedes spectral interpretation. In this contribution, we describe novel pulse sequences, termed t 1 -noise eliminated (TONE) D-HMQC, that minimize t 1 -noise and can provide higher sensitivity and resolution than conventional D-HMQC. Monte-Carlo and numerical simulations confirm that t 1 -noise in conventional D-HMQC primarily occurs because random MAS frequency fluctuations cause variations in the NMR signal amplitude from scan to scan, leading to imperfect cancellation of uncorrelated signals by phase cycling. The TONE D-HMQC sequence uses 1 H π-pulses to refocus the evolution of 1 H CSA across each SR4 2 1 recoupling block, improving the stability of the pulse sequence to random MAS frequency fluctuations. The 1 H refocusing pulses also restore the orthogonality of in-phase and anti-phase magnetization for all crystallite orientations at the end of each recoupling block, enabling the use of 90° flip-back or LG spin-lock trim pulses to reduce the intensity of uncorrelated signals. We demonstrate the application of these methods to acquire 1 H detected 2D 1 H{ 35 Cl} and 1 H{ 13 C} HETCOR spectra of histidine·HCl·H 2 O with reduced t 1 -noise. To show generality, we also apply these methods to obtain 2D 1 H{ 17 O} spectra of 20%- 17 O fmoc-alanine and for the first time at natural abundance, 2D 1 H{ 25 Mg} HETCOR spectra of magnesium hydroxide. The TONE D-HMQC sequences are also used to probe 1 H– 25 Mg and 1 H– 27 Al proximities in Mg–Al layered double hydroxides and confirm the even mixing of Mg and Al in these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Photo-driven growth of a monolayer of platinum spherical-nanocrowns uniformly coated on a membrane toward fuel cell applications

Membrane electrode assemblies (MEAs) serve as the core units of polymer electrolyte membrane fuel cells (PEMFCs) and are regularly fabricated by painting a slurry of commercial Pt/C onto a membrane, leading to thick and disordered electrocatalyst layers (CLs). Herein, we report a photo-driven fabrication of MEAs with ultra-thin and ordered CLs by growing a monolayer of dendritic platinum spherical nanocrowns onto each side of a photocatalyst-modified membrane. This approach allows us to control the thickness and platinum loading of ordered CLs by simply varying the concentration of the platinum precursor under tungsten light irradiation. The resultant MEAs exhibit an excellent fuel cell power density of 1.01 ± 0.05 W cm –2 at a platinum loading of 53 ± 1.5 μg cm cathode –2 . Furthermore, this exceptional activity likely arises from the nanostructured platinum crowns, efficient mass transport, and uniform reaction rate in the ultrathin (59 ± 12 nm thick) and ordered CLs according to electrochemical and theoretical investigations.

25 ENERGY STORAGE↗