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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 523 records · Page 29

Machine-learning interatomic potentials for interfaces in all-solid-state batteries: Perspectives on training data, model selection, and validation

Interfaces play a pivotal role in dictating the performance and reliability of all-solid-state batteries (ASSBs), where complex electro-chemo-mechanical phenomena at grain boundaries (GBs) and interfaces can lead to degradation and failure. Traditional atomistic simulation methods, such as first-principles calculations and classical molecular dynamics, face limitations in modeling these interfaces due to either high computational cost or insufficient transferability to the diverse atomic environments evolving at interfaces. Machine-learning interatomic potentials (MLIPs) have emerged as a transformative approach, enabling large-scale, high-accuracy simulations of disordered and chemically complex systems by leveraging the predictability of machine learning models trained on first-principles data. Recent applications of MLIPs have demonstrated their ability to capture intricate behaviors at ASSB interfaces, including ion transport, interfacial evolution, and degradation mechanisms, with accuracy and efficiency unattainable by conventional methods. This prospective paper presents comprehensive analysis and practical guidance for MLIP development for GBs and interfaces in ASSBs, with a focus on three key pillars: data generation, model selection, and validation. Here, we review the current state of MLIP applications for GBs and interfaces in both general and ASSB-specific materials, highlighting best practices and challenges in constructing diverse and representative datasets, choosing appropriate machine learning architectures, and rigorously validating model performance. We also discuss emerging strategies and opportunities for improved reliability and efficiency of MLIPs to simulate realistic interfaces in ASSBs.

Energy - Storage↗

High Throughput Discovery of Thermoelectric Materials (Final Report)

New materials form the heart of advances in energy technologies; however, the actual synthesis and characterization of new materials remains an enormous bottleneck. In this award, the research team focused on developing new approaches overcome this bottleneck. The approach involved depositing at high (supersonic) velocity multiple crystalline materials at a substrate while controlling the resulting film composition. The film could then be annealed to create a homogeneous alloy that was suitable for characterization. High throughput characterization tools were developed in parallel. The research focused on thermoelectric materials, which convert the flow of heat into electrical power. The development of new thermoelectric materials with high power conversion efficiency could displace traditional mechanical heat engines (e.g. turbines).

30 DIRECT ENERGY CONVERSION↗

Performance contracting centers of expertise: a framework for federal implementation

This report examines the establishment and operation of Energy Performance Contracting (EPC) Centers of Expertise (COEs) within the federal government. EPCs, including Energy Savings Performance Contracts (ESPCs) and Utility Energy Service Contracts (UESCs), are critical mechanisms for advancing energy efficiency, resilience, and infrastructure modernization without the need for significant upfront appropriations. However, EPCs require specialized knowledge in project development, contracting, financing, legal parameters and technical project oversight. Currently federal agencies have varying levels of expertise and institutionalized policy to effectively and consistently use congressionally authorized EPCs which have decades of proven and impactful use. To address these challenges, several federal agencies have created COEs to centralize expertise, standardize practices, and streamline implementation. This report reviews statutory and policy drivers, highlights the benefits and challenges and presents case studies from the General Services Administration (GSA), the Department of Veterans Affairs (VA) and the U.S. Army Engineering and Support Center Huntsville (HNC). Recommendations are also provided for agencies considering the establishment of EPC COEs, which will bring much needed structure, consistency and lead to implementation of these energy and infrastructure building projects to save costs for U.S. taxpayers.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Prong Segmentation using Point Set Transformers in Multiple View Neutrino Detectors

NOvA is a long-baseline neutrino experiment studying neutrino oscillations by detecting neutrinos from the NuMI beam at Fermilab. Its physics analysis relies on accurate prong segmentation, which involves matching each hit to its source particle and identifying the particle type. This task has commonly been addressed using a combination of traditional clustering algorithms and convolutional neural networks (CNNs). However, NOvA’s detector design presents data as two sparse and decoupled 2D images (XZ and YZ views) rather than a native 3D representation, posing a significant challenge for traditional CNN-based models. In this talk, we propose a novel neural network based on the Point Set Transformer. By treating detector hits as sparse point clouds and implementing a cross-view attention mechanism, our model enables efficient information mixing between both views. Evaluated on NOvA simulated data, our model achieves superior accuracy while requiring significantly fewer computational resources compared to other models. Furthermore, the model demonstrates great performance when applied to Liquid Argon Time Projection Chamber (LArTPC) data, which shows its potential as a universal prong segmentation algorithm for multiple view neutrino detectors.

Liu, Jiaxi [UC, Irvine]↗

Study of excitation transfer in laser dye mixtures by direct measurement of fluorescence lifetime

By directly measuring the donor fluorescence lifetime as a function of acceptor concentration in the laser dye mixture Rhodamine 6G-Cresyl violet, we found that the Stern-Volmer relation is obeyed, from which the rate of excitation transfer is determined. The experimental results indicate that the dominant mechanism responsible for the efficient excitation transfer is that of resonance transfer due to long range dipole-dipole interaction.

Lin, C.↗

A determination of the L dependence of the radial diffusion coefficient for protons in Jupiter's inner magnetosphere

In a previous paper (Thomsen et al., 1977), a technique was proposed for estimating the radial diffusion coefficient (n) in the inner magnetosphere of Jupiter from the observations of the sweeping effect of the inner Jovian satellites on the fluxes of the energetic charged particles. The present paper extends this technique to permit the unique identification of the parameters D sub O and n, where the diffusion coefficient is assumed to be of the form D = D sub O L to the nth. The derived value of D sub O depends directly on assumptions regarding the nature and efficiency of the loss mechanism operating on the particles, while the value of n depends only on the assumed width of the loss region. The extended technique is applied to the University of Iowa Pioneer 11 proton data, leading to values of n of about O and D(6) of about 3 x 10 to the -8th (R sub J)-squared/sec, when satellite sweepup losses are assumed to be the only loss operating on the protons. The small value of n is strong evidence that the radial diffusion is driven by ionospheric winds.

Thomsen, M. F.↗

User's manual for PRESTO: A computer code for the performance of regenerative steam turbine cycles

Standard turbine cycles for baseload power plants and cycles with such additional features as process steam extraction and induction and feedwater heating by external heat sources may be modeled. Peaking and high back pressure cycles are also included. The code's methodology is to use the expansion line efficiencies, exhaust loss, leakages, mechanical losses, and generator losses to calculate the heat rate and generator output. A general description of the code is given as well as the instructions for input data preparation. Appended are two complete example cases.

Fuller, L. C.↗

Regenerative superheated steam turbine cycles

PRESTO computer program was developed to analyze performance of wide range of steam turbine cycles with special attention given to regenerative superheated steam turbine cycles. It can be used to model standard turbine cycles, including such features as process steam extraction, induction and feedwater heating by external sources, peaking, and high back pressure. Expansion line efficiencies, exhaust loss, leakages, mechanical losses, and generator losses are used to calculate cycle heat rate and generator output. Program provides power engineer with flexible aid for design and analysis of steam turbine systems.

Fuller, L. C.↗

CF6 fan performance improvement

A significant portion of the NASA-sponsored Performance Improvement Program for the CF6 engine was the development of an improved fan concept. This involved aerodynamic redesign of the CF6 fan blade to increase fan efficiency while retaining the mechanical integrity, operability, and acoustic characteristics of the existing blade. A further improvement in performance was obtained by adding a fan case stiffener ring to decouple blade-case vibrational characteristics, permitting a significant reduction in running tip clearance. Engine testing was performed to establish the performance, mechanical and acoustic properties of the new design relative to the current fan, and to establish power management characteristics for the CF6-50C2/E2 engine. A significant improvement in cruise power SFC of 1.8 percent was demonstrated in Sea Level testing projected to altitude flight conditions.

Patt, R. F.↗

Interstellar sulfur chemistry

The results of a chemical model of SO, CS, and OCS chemistry in dense clouds are summarized. The results are obtained from a theoretical study of sulfur chemistry in dense interstellar clouds using a large-scale time-dependent model of gas-phase chemistry. Among the results are the following: (1) owing to activation energy, the reaction of CS with O atoms is efficient as a loss mechanism of CS during the early phases of cloud evolution or in hot and oxygen-rich sources such as the KL nebula; (2) if sulfur is not abnormally depleted in dense clouds, then the observed abundances of SO, SO2, H2S, CS, OCS, H2CS, and SiS indicate that sulfur is mostly atomic in dense clouds; and (3) OCS is stable against reactions with neutral atoms and radicals in dense clouds.

Prasad, S. S.↗

Heating of the solar chromosphere by ionization pumping

A new theory is proposed to explain the heating of the solar chromosphere, and possibly the corona, by the dissipation of hydrodynamic compression waves. The basis of the dissipative mechanism, here referred to as ionization pumping, is hysteresis caused by irreversible relaxation of the chromospheric medium to ionization equilibrium following pressure perturbations. In the middle chromosphere, where hydrogen is partially ionized, it is shown that ionization pumping will cause strong dissipation of waves whose periods are 200s or less. This could cause heating of the chromosphere sufficient to compensate for the radiative losses. The mechanism retains a high efficiency for waves of arbitrarily small amplitude and, thus, can be more efficient than shock dissipation for small perturbations in pressure. The formation of shocks therefore is not required for the dissipation of waves whose periods are several minutes or less.

Lindsey, C. A.↗

Defects in silicon effect on device performance and relationship to crystal growth conditions

A relationship between material defects in silicon and the performance of electronic devices will be described. A role which oxygen and carbon in silicon play during the defects generation process will be discussed. The electronic properties of silicon are a strong function of the oxygen state in the silicon. This state controls mechanical properties of silicon efficiency for internal gettering and formation of defects in the device's active area. In addition, to temperature, time, ambience, and the cooling/heating rates of high temperature treatments, the oxygen state is a function of the crystal growth process. The incorporation of carbon and oxygen into silicon crystal is controlled by geometry and rotation rates applied to crystal and crucible during crystal growths. Also, formation of nucleation centers for oxygen precipitation is influenced by the growth process, although there is still a controversy which parameters play a major role. All these factors will be reviewed with special emphasis on areas which are still ambiguous and controversial.

Jastrzebski, L.↗

Thermoregulatory responses to heat and vibration in men

The effect of vibration on thermoregulatory responses was studied in heat-acclimated men exposed suddenly to simultaneous heat and whole body vibrations (WBVs) at two intensity levels, each at graded frequencies between 5 and 80 Hz. The mean rectal temperature (Tre) became elevated more quickly in the WBV exposures than in the controls (heat exposure alone). Both intensity- and frequency-dependent WBV relationships were recorded in localized blood flows and in sweat rates. Thus, vibration appears to reduce the efficiency of the cooling mechanisms during a heat exposure.

Spaul, W. A.↗

Pair production of helicity-flipped neutrinos in supernovae

The emissivity was calculated for the pair production of helicity-flipped neutrinos, in a way that can be used in supernova calculations. Also presented are simple estimates which show that such process can act as an efficient energy-loss mechanism in the shocked supernova core, and this fact is used to extract neutrino mass limits from SN 1987A neutrino observations.

Perez, Armando↗

Three legged walking mobile platform: Kinematic and dynamic analysis and simulation

The three legged walker is proposed as a mobile work platform for numerous tasks associated with lunar base site preparation and construction. It is seen as one of several forms of surface transportation, each of which will be best suited for its respective tasks. Utilizing the principle of dynamic stability and taking advantage of the Moon's gravity, it appears to be capable of walking in any radial direction and rotating about a point. Typical curved path walking could involve some combination of the radial and rotational movements. Comprised mainly of a body, six actuators, and six moving parts, it is mechanically quite simple. Each leg connects to the body at a hip joint and has a femur, a knee joint, and a tibia that terminates at a foot. Also capable of enabling or enhancing the dexterity of a series of implements, the walker concept provides a mechanically simple and weight efficient means of drilling, digging, mining, and transporting cargo, and performing other like tasks. A proof of principle machine demonstrated the feasibility of the walking concept.

Mcmurray, Gary V.↗

How Mars lost its atmosphere

There is a widespread suspicion that Mars thin atmosphere is in some way attributable to the planet's size. Another possibility is that the atmosphere was never degassed or outgassed in the first place. I prefer escape. Hydrodynamic escape (vigorous thermal escape) and impact erosion (expulsion of atmosphere by impacts) are two processes that should have been operative early. Although in principle hydrodynamic escape could have shrunk Mars atmosphere a hundredfold while leaving the composition of the remnant atmosphere nearly unaltered, very high escape fluxes are required. The implicated escape mechanism must have been efficient, nearly non-fractionating, and vastly more potent for Mars than for Earth or Venus. Impact erosion is an appealing candidate. Noble gases are the obvious first test. Noble gases are the most volatile elements and so are the most likely to have been affected by impact erosion and the easiest to address quantitatively. Xenon in particular imposes three constraints on how Mars lost its atmosphere: (1) the very low abundance of nonradiogenic Xe abundance of nonradiogenic Xe compared to Earth, Venus, and likely meteoritic sources; (2) its nonradiogenic isotopes distinct from likely meteoritic sources; and (3) the relatively high absolute abundance of radiogenic daughter of the extinct radionuclide I-129 (half-life 17 Myr). In impact erosion, the first two become constraints on the composition, mass distribution, and orbital elements of the impactors. The third requires that Mars lost its nonradiogenic Xe early, probably before it was 100 Myr old. Impact erosion can explain Mars by any of three stories. (1) Mars in unlikely. In a sort of planetary brinkmanship, impact erosion almost removed the entire atmosphere but was arrested just in time. (2) Martian noble gases are cometary and cometary Xe is as isotopically mass fractionated as Martian and terrestrial Xe. This is most easily accomplished if a relatively thick geochemically controlled CO2 atmosphere protected trace atmophiles against escape. (3) Mars was indeed stripped of its early atmosphere but a small remnant was safely stored in the regolith, later released as a byproduct of water mobilization.

Zahnle, Kevin↗