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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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Intensified atomic utilization efficiency of single-atom catalysts for nitrate conversion via electrified nanoporous membrane

Conventional electrochemical reactors for nitrate reduction typically suffer from limited reaction efficiency when applied for real-world water treatment due to poor utilization of electrocatalytic active sites. Here, we applied nanoporous electrofiltration to intensify atomic utilization by incorporating single-atom catalysts into an electrified membrane for reducing low-concentration nitrate to ammonia under realistic water conditions. We enhance the exposure of single atoms in nanopores by coating the catalysts on a carbon nanotube–interwoven membrane framework. Electrofiltration intensifies the transport and adsorption of nitrate in confined nanopores with highly exposed single-atom active sites to enhance reduction. The membrane enables a superior ammonia turnover frequency of 15.1 grams of nitrogen per gram of metal per hour, up to four orders of magnitude higher than that reported in the literature, under both high removal efficiency and Faradaic efficiency of over 86% when treating influents with a low nitrate concentration of 100 milligrams of nitrogen per liter in a residence time on the order of seconds.

Science & Technology - Other Topics

Requirements Description of VARPOW

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s VARPOW code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of VARPOW verification tasks necessary to verify VARPOW for usage on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages.

Ramey, Kyle [Argonne National Laboratory (ANL), Ar

Research and development of high thermal stability fuels

Increases in aircraft performance are leading to increases in the thermal stress on the primary aircraft coolant--the fuel. Fuel thermal stability limitations may offset future aircraft performance gains. The Air Force's Wright Laboratory is sponsoring several research programs to address this problem. The development of an additive package for JP-8 to improve its thermal stability is the primary focus of this paper. This program involves extensive testing of fuels and additives in a variety of test devices, culminating in tests in a fuel system simulator and engine tests. These tests involve Air Force personnel, on-site contractors (University of Dayton Research Institute, Systems Research Laboratories), Pratt and Whitney Aircraft Co., additive manufacturers, and Sandia National Laboratory. The test devices include several flowing and static tests, where the behavior of a fuel is investigated in a wide variety of environments. The study of several baseline fuels in these devices has led to some new insights into the mechanisms of fuel thermal (in)stability. It is becoming clear that a fuel's tendency to oxidize (to form peroxides, for example) is often inversely proportional to its tendency to form insoluble deposits.

T Edwards

Polarized target nuclear magnetic resonance measurements with deep neural networks

Continuous-wave Nuclear Magnetic Resonance (CW-NMR) operated in constant-current mode has served as a foundational technique for polarization measurement in solid-state dynamically polarized targets within nuclear and high-energy physics experiments for several decades, and it remains an essential tool. Conventional Q-meter-based phase-sensitive detection is critical for precise real-time determination of target polarization during scattering runs. However, the accuracy and reliability of these measurements are frequently compromised by elevated noise levels, baseline drift, and systematic uncertainties arising from signal isolation and fitting, ultimately degrading the overall experimental figure of merit. In this work, we report the first successful application of neural network architectures to continuous-wave NMR polarization metrology. By leveraging advanced machine learning techniques for signal extraction and denoising, we achieve a substantial reduction of fitting uncertainties under a variety of realistic simulated and experimental conditions. These improvements translate directly into more robust real-time (online) polarization monitoring and higher precision in subsequent offline analysis. By reducing analysis-induced uncertainty, the resulting methodology can improve the effective figure of merit for scattering experiments employing dynamically polarized targets and provides a new toolset for NMR-based polarimetry in high-energy and nuclear physics.

Metrology

An Assessment of the Nevada Test Site for Low-Level Waste Management

This report presents a summary of description information, facilities, and operating practices at the Nevada Test Site. It is concluded that NTS is not only a feasible location for surface and near-surface storage of low-level wastes, but also a potential site for underground storage of higher level wastes.

052002* -- Nuclear Fuels-- Waste Disposal & Storag

Effect of Oxidizing Impurities on the Corrosion Behavior of Structural Alloys Exposed to MgCl 2 Molten Salt Vapor

The corrosion behavior of structural alloys SS304 and IN617 when exposed to vapors of MgCl 2 molten salt at 764 °C for 100 h in an argon atmosphere was investigated as a function of the level of oxidizing impurities (e.g., NaOH) present in the salt. Increasing the concentration of oxidizing impurities in the salt caused an increase in corrosion in both structural alloys, as measured by Cr depletion layers. A poorly adhered oxide scale layer containing Mg, Al, and Cr was observed on the surface of the metals, and local attack was observed as well. The Ni-based IN617 showed lower Cr depletion and less scale formation than the Fe-based SS304. These results demonstrate that oxidizing impurities in the molten salt will impact the vapor phase corrosion for structural members exposed to the molten salt headspace. This finding is highly relevant for understanding the effects of the vapor phase in molten salt applications, including molten salt thermal energy storage, molten salt nuclear reactors, and molten salt electrochemistry.

25 ENERGY STORAGE

Reduced-order CFD modeling of cryogenic hydrogen isotope extrusion for pellet fueling

This study presents a reduced-order model (ROM) for computational fluid dynamics (CFD) simulations of cryogenic hydrogen isotope extrusions, focusing on protium (H₂) and deuterium (D₂) piston extruders. Using a 2D axisymmetric ROM in ANSYS-Polyflow, significant computational savings were achieved (runtime reduced from 9∼24 h to 3∼5 min), with extrusion force discrepancies between the 2D ROM and 3D models being on the order of 1%. Parametric studies identified optimal cutoff shear rates in the viscosity model (0.01/s for H₂ and 0.001/s for D₂), providing recommendations for future simulations. Finally, a comprehensive comparison of ROM results with experimental data was performed across varying geometries, cryogenic materials, temperatures, extrusion lengths, and piston velocities. Predictions at low extrusion temperatures met the objective of providing quick and efficient solutions with an acceptable extrusion force error of approximately 10% or less, validating the effectiveness of the 2D ROM approach. However, at high temperatures closer to the triple point, extrusion force error grows, which necessitates developing an improved model that accounts for temperature effects, e.g. melting. Nevertheless, the findings still represent a significant improvement in efficiency of CFD modeling of cryogenic hydrogenic extrusion. The ROM framework can also be extended to tritium (T2) and screw extruders, which will ultimately provide a fast and effective tool for optimizing pellet injector design for ITER and future reactor systems.

Fan, Joy [ORNL] (ORCID:0000000229751735)

Anomalous Spin‐Optical Helical Effect in Ti‐Based Kagome Metal

The kagome lattice stands as a rich platform for hosting a wide array of correlated quantum phenomena, ranging from charge density waves and superconductivity to electron nematicity and loop current states. Direct detection of loop currents in kagome systems has remained a formidable challenge due to their intricate spatial arrangements and the weak magnetic field signatures they produce, and this has made their identification experimentally subtle. This has left their existence and underlying mechanisms a topic of intense debate. In this work, we uncover signatures compatible with loop currents: spin handedness-selective signals that surpass conventional dichroic, spin, and spin-dichroic responses. We observe this phenomenon in the kagome metal CsTi 3 ⁢Bi 5 and we call it the anomalous spin-optical helical effect. This effect arises from the coupling of light's helicity with spin-orbital electron correlations, thereby providing an indirect yet sensitive approach to probe loop-current–related electronic correlations in quantum materials. Our discovery not only enriches the debate surrounding loop currents but also offers new experimental strategies to exploit the electronic phases of quantum materials via light–matter interaction.

anomalous spin-optical helical effect

Advanced Materials for the Lunar Surface: Multiscale Computational Design of Refractory Alloys and Carbides

Emerging operational environments, such as the lunar surface, present novel challenges for NASA and drive the need for advanced materials in applications like fission surface power systems. To address these demands, computational materials science is rapidly evolving to augment or replace costly and hazardous empirical testing. Although materials selection at NASA remains predominantly experimentally driven, advanced simulation methodologies are being steadily integrated into the engineering lifecycle. This work details the application of multiscale simulation techniques—including first-principles calculations, CALPHAD, dislocation dynamics, and molecular dynamics—at NASA's Ames Research Center to evaluate advanced materials for extreme environments. First, we present contributions to the Space Nuclear Propulsion Project. Be-cause propellant channel coatings in nuclear thermal rockets must withstand high-pressure, high-temperature hydro-gen, optimizing these materials is critical. First-principles calculations were employed to establish a rigorous quantitative and qualitative understanding of the behavior of the refractory carbides ZrC, NbC, and their mixtures in high-enthalpy hydrogen environments. This necessitated the generation of high-fidelity thermodynamic models for both stoichiometric and carbon-depleted carbides, both with and without the presence of hydrogen. Furthermore, we highlight efforts under the Refractory Alloy Additive Manufacturing Build Optimization (RAAMBO) project, where existing and novel alloy compositions were assessed for additive manufacturing printability and subsequent performance in applications such as heat pipes and rocket nozzle extensions. This was accomplished through a comprehensive multiscale simulation framework that bridged the gap from the nanometer to the millimeter scale. Across both initiatives, rigorous validation against empirical data was prioritized. By systematically employing a verified and validated computational frame-work, we demonstrate how simulation effectively supports multidisciplinary engineering efforts, builds project-wide confidence, and drives critical materials development.

computational materials

In-Situ Scanning Electron Microscope Experiments for Microscale Mechanical Testing and Validated Modeling of Fiber Reinforced Thermoplastics

A novel, in-situ, scanning electron microscope (SEM) mechanical testing capability for materials at the microscale which provides experimental validation to a machine learning (ML) toolset for full-field validation of physics-based micromechanics models is being developed by researchers at NASA Glenn Research Center. These are enabling technologies for the integration of multiscale digital twins for materials into system level models which will result in the improved performance, material discovery, reduced production cost and time, rapid characterization, and prognostic structural health monitoring (SHM) for materials and structures for extreme environments in support of NASA space exploration missions. In order to bridge the material structure-to-system gap for digital twins, physics-based models must be experimentally validated at multiple length scales. Seminal microscale experiments, conducted at the Air Force Research Laboratory (AFRL), were limited to transverse compression of single-layer, unidirectional thermoset polymer matrix composite (PMC) micropillar specimens [1]. The early phases of the current project followed those initial results and setup to reproduce the compression testing of PMC material on the custom-built piezoelectric actuated micromechanical testing rig built by MicroTesting Solutions LLC. In this work, samples of thermoplastic PMC material were first machined into 3 mm cubes, and then further machining and final milling was done using a Focused Ion Beam (FIB). The initial experiment was done on a pillar roughly 20 µm x 20 µm x 40 µm tall. Additional pillars were milled with final sizes ranging from 20 µm x 20 µm x 40 µm tall to 40 µm x 40 µm x 65 µm tall. A speckle pattern for in-situ full-field measurements using Digital Image Correlation (DIC) was applied with platinum, which was coated on the surface, and then the FIB was used to mill away some of the coating to produce an irregular pattern of Pt on the pillar surface. The samples were loaded into the custom testing rig and placed into the SEM and loaded under compression until failure. Images were collected in the SEM during testing. Post-processing of the images was conducted using DIC to obtain full-field displacement and strain measurements elucidating the role of the matrix as well as fiber-fiber interaction at the microscale within the composite subjected to compression loading well into the non-linear regime of the material. Moreover, the evolution of fiber-matrix debonding and matrix cracking is observed in-situ at the microscale. This data, along with images segmented with a newly developed ML toolset [2], was used to create and validate physics-based micromechanics models. An image of the failed micropillar is shown in Figure 1. The techniques developed in the initial compression experiment was tailored to the validation needs of the models and expanded to include different sized samples as well as possibly tension and fatigue.

Laura Wilson

Experimental Study of Aeropropulsive Interactions for Electric Ducted Fans on a Wing

The Adaptable Distributed Electric Propulsion Testbed (ADEPT)Wing was tested in the NASA Langley 12-Foot Low-Speed Tunnel to investigate electric propulsion technologies for commercial transport aircraft. The purpose of the test was to study the aeropropulsive effects across angle of attack and fan speed variations for several propulsor placements and array sizes, and to investigate how distributed electric propulsion (DEP) can be leveraged for augmented lift and vehicle control. Six electric ducted fan (EDF) array placements were tested by positioning the fans along the leading and trailing edges on the top and bottom surfaces, as well as centered on the chord line in front of and behind the wing. Each fan placement configuration was tested with an array of one, three, and five EDFs to characterize an aeropropulsive extrapolation effect, and the bare wing was tested separately to provide baseline aerodynamic measurements. The results compare the longitudinal forces and moments for each configuration by analyzing the combined aeropropulsive interaction effects, and offer valuable insight into considerations for fan placement along a wing to enable the benefits of DEP integration.

Rose Weinstein

Quantifying concentration distributions in redox flow batteries with neutron radiography

Abstract The continued advancement of electrochemical technologies requires an increasingly detailed understanding of the microscopic processes that control their performance, inspiring the development of new multi-modal diagnostic techniques. Here, we introduce a neutron imaging approach to enable the quantification of spatial and temporal variations in species concentrations within an operating redox flow cell. Specifically, we leverage the high attenuation of redox-active organic materials (high hydrogen content) and supporting electrolytes (boron-containing) in solution and perform subtractive neutron imaging of active species and supporting electrolyte. To resolve the concentration profiles across the electrodes, we employ an in-plane imaging configuration and correlate the concentration profiles to cell performance with polarization experiments under different operating conditions. Finally, we use time-of-flight neutron imaging to deconvolute concentrations of active species and supporting electrolyte during operation. Using this approach, we evaluate the influence of cell polarity, voltage bias and flow rate on the concentration distribution within the flow cell and correlate these with the macroscopic performance, thus obtaining an unprecedented level of insight into reactive mass transport. Ultimately, this diagnostic technique can be applied to a range of (electro)chemical technologies and may accelerate the development of new materials and reactor designs.

Science & Technology - Other Topics

Accelerating SNP Development with Radiation Source Approximations for Far-Field Environment Modeling

The successful development and deployment of space nuclear power and propulsion technology requires a high-fidelity, efficient means of modeling ex-core radiation fields. Monte Carlo particle transport codes provide enable the highest level of fidelity in radiation field modeling but are inefficient for modeling ex-core radiation without modification. This paper details the development of an approach to ex-core radiation field modeling that maintains the fidelity of a Monte Carlo transport approach without sacrificing computational efficiency. This approach is based on recent improvements to an existing Monte Carlo transport acceleration technique known as surface source banking. As the transport of many particles is required to ensure adequate uncertainty in far field transport, analytical reconstruction techniques are employed to represent surface source banks as sampleable series of distributions in particle phase from which an arbitrarily large number of particles can be generated and simulated. All steps of this approach are incorporated into an AMA model to test both the underlying mathematics of the analytical source reconstruction process, as well as the relevance of the technique as a whole towards SNP applications. These tests demonstrated that this approach is capable of accelerating far-field radiation modeling in SNP-relevant scenarios by factors of at least nine over purely eigenvalue-based scenarios without significantly sacrificing simulation accuracy.

Surface Source Banking

Lewis Research Center battery overview

The topics covered are presented in viewgraph form and include the following: the Advanced Communications Technology Satellite; the Space Station Freedom (SSF) photovoltaic power module division; Ni/H2 battery and cell design; individual pressure vessel (IPV) nickel-hydrogen cell testing SSF support; the LeRC Electrochemical Technology Branch; improved design IPV nickel-hydrogen cells; advanced technology for IPV nickel-hydrogen flight cells; a lightweight nickel-hydrogen cell; bipolar nickel-hydrogen battery development and technology; aerospace nickel-metal hydride cells; the NASA Sodium-Sulfur Cell Technology Flight Experiment; and the lithium-carbon dioxide battery thermodynamic model.

Odonnell, Patricia

REDOTHERM (Redox Countercurrent Thermodynamic Limits Model) [SWR-24-88]

REDOTHERM is an open-source, MATLAB-based thermodynamic modeling framework developed to evaluate the performance of redox-active materials for water (H2O) and carbon dioxide (CO2) splitting. It includes models of all major unit operations and supports comparative analysis of different redox-active material candidates. The model is tailored for systems of moving oxide under a parallel/cocurrent flow (PF) and countercurrent flow (CF) configurations. Unvalidated mixed flow reactor (MFR, also known as CSTR) model is also included as an optional addition.

Lidor, Alon [National Renewable Energy Laboratory