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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

A Stereo Imaging Velocimetry Technique for Analyzing Structure of Flame Balls at Low Lewis-Number (SOFBALL) Data

Stereo Imaging Velocimetry (SIV) is a NASA Glenn Research Center (GRC) developed fluid physics technique for measuring threedimensional (3-D) velocities in any optically transparent fluid that can be seeded with tracer particles. SIV provides a means to measure 3-D fluid velocities quantitatively and qualitatively at many points. This technique provides full-field 3-D analysis of any optically clear fluid or gas experiment using standard off-the-shelf CCD cameras to provide accurate and reproducible 3-D velocity profiles for experiments that require 3-D analysis. A flame ball is a steady flame in a premixed combustible atmosphere which, due to the transport properties (low Lewis-number) of the mixture, does not propagate but is instead supplied by diffusive transport of the reactants, forming a premixed flame. This flame geometry presents a unique environment for testing combustion theory. We present our analysis of flame ball phenomena utilizing SIV technology in order to accurately calculate the 3-D position of a flame ball(s) during an experiment, which can be used as a direct comparison of numerical simulations.

McDowell, Mark↗
DOE OSTI2025

Probabilistic Diffusion Models Advance Extreme Flood Forecasting

Extreme floods pose escalating risks in a changing climate, yet forecasting remains challenging due to peak flow underestimation and high uncertainty. We introduce diffusion-based runoff model (DRUM), a probabilistic deep learning (DL) approach that advances extreme flood forecasting across representative basins in the contiguous United States. DRUM outperforms state-of-the-art benchmarks, enhancing nowcasting skill for the top 1‰ of flows in 72.3% of studied basins. Under operational scenarios, DRUM extends reliable lead times by nearly a full day for 20- and 50-year floods. When evaluated with measured precipitation, an ideal condition, recall improves by 0.3–0.4 and the early warning window extends by 2.3 days for 50-year floods. The enhancement potential varies regionally, with precipitation-driven flood zones in the eastern and northwestern US benefiting most, gaining 3–7 days in lead time. These findings highlight the transformative potential of diffusion models as a cutting-edge generative AI technique for advancing hydrology and broader Earth system sciences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Advanced Isotope Separation Technology for Fusion Fuel

Deuterium-tritium fusion is the easiest nuclear fusion reaction among known fusion reactions. Since tritium is extremely rare, it is artificially produced by irradiating lithium metal. The separation, isolation, and storage of the tritium isotope has been a major focus of the Savannah River Site (SRS) for many decades. Thermal diffusion, fractional absorption, and cryogenic distillation have all been used in the past, and each has significant operational and safety challenges. A process known as the Thermal Cycling Absorption Process (TCAP) was invented at SRS, and because of its overwhelming advantages in safety, efficiency, size, and reduced tritium inventory, it has replaced all other hydrogen isotope separation processes at SRS. Here, the working principles and current development of hydrogen isotope separation using TCAP at SRS are explained as a potential advanced isotope separation process for the fusion fuel cycle.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Boosting CO2R Performance of Ag Electrocatalysts by Sulfur-Doped Carbon Support

We find that S-doped carbon support can boost the CO2 reduction (CO2R) performance of Ag electrocatalysts. Firstly, surface science enabled electrocatalysis showed that Ag supported on S-doped highly oriented pyrolytic graphite (HOPG), a model electrocatalyst, demonstrated 100% higher CO turnover frequency (TOFCO = 3.6 ± 0.2 CO/atomAg/s) than that supported on S-free HOPG (TOFCO = 1.8 ± 0.2 CO/atomAg/s). Computational modeling based on density functional theory (DFT) revealed a more stabilized *COOH intermediate on Ag supported on S-doped carbon and thus a more favorable energetic pathway of CO2-to-CO, consistent with experimental results from the model electrocatalysts studies. Finally, this proof of concept was translated to the synthesis of powder electrocatalyst with 2 wt% Ag supported on S-doped carbon black, demonstrating > 40-fold high CO mass activity than a commercial Ag cathode with steady FECO ~ 96% at 100 mA/cm2 for 50 hours of continuous operation in a gas diffusion electrode (GDE) electrolyzer. For comparison, 2 wt% Ag supported on carbon black without S- doping showed a maximum FECO ~ 70% at 100 mA/cm2. This work demonstrates a successful bottom-up design of CO2R electrocatalysts guided by surface science enabled electrocatalysis.

CO2 conversion↗
NASA NTRS1975

On the use of the earth resources technology satellite /LANDSAT-1/ in optical oceanography

Observations of the Gulf Stream System in the Gulf of Mexico were obtained in synchronization with LANDSAT-1. Computer enhanced images, which are necessary to extract useful oceanic information, show that the current can be observed by color (diffuse radiance) or sea state (specular radiance) effects associated with the cyclonic boundary even in the absence of a surface thermal signature. The color effect relates to the spectral variations in the optical properties of the water and its suspended particles, and is studied by radiative transfer theory. Significant oceanic parameters identified are: the probability of forward scattering, and the ratio of scattering to total attenuation. Several spectra of upwelling diffuse light are computed as a function of the concentration of particles and yellow substance.

Maul, G. A.↗
DOE OSTI2024

Kinetic Separation of Siloxanes in Metal–Organic Frameworks

We present an in silico assessment of metal–organic frameworks (MOFs) for the kinetic separation of linear and cyclic siloxanes. We employed molecular dynamics simulations investigating both rigid and flexible 1D MOF frameworks to identify a specific range of pore parameters that enables the diffusion of linear siloxanes but leads to slow diffusion of cyclic siloxanes. We then extended our analysis to flexible 3D MOFs to select adsorbents for the kinetic separation of cyclic and linear siloxanes. Based on synthesizability metrics we identified four 3D MOFs capable of discriminating between cyclic and linear siloxanes. One of the MOFs with structure code WIYFAM stood out with the ability to distinguish between cyclic and linear siloxanes and facilitate the diffusion of all linear siloxanes investigated in this study. One of the other MOFs, IRMOF-6, is found to be capable of not only discriminating between cyclic and linear siloxanes, but even between shorter and longer linear siloxanes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Diffusion-Limited Kinetics of Isovalent Cation Exchange in III–V Nanocrystals Dispersed in Molten Salt Reaction Media

The goal of this work is to determine the kinetic factors that govern isovalent cation exchange in III–V colloidal quantum dots using molten salts as the solvent and cation source. We focus on the reactions of InP + GaI 3 → In 1 – x Ga x P and InAs + GaI 3 → In 1–x Ga x As to create technologically important ternary III–V phases. We find that the molten salt reaction medium causes the transformation of nearly spherical InP nanocrystals to tetrahedron-shaped In 1–x Ga x P nanocrystals. Furthermore, we determine that the activation energy for the cation exchange reaction is 0.9 eV for incorporation of Ga into InP and 1.2 eV for incorporation of Ga into InAs, both much lower than the measured values in bulk semiconductors. Next, we use powder XRD simulations to constrain our understanding of the structure of the In 1–x Ga x P nanocrystals. Together our results reveal several important features of molten salt-mediated cation exchange and provide guidance for future development of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Tusqh

SAND2025-00675O Tusqh is a software tool that generates cubical meshes in 2D and 3D and computes the homology of these meshes using persistent homology. It includes a grid cell in the output if its volume-fraction is above a selectable threshold, estimated by sampling points within the cell. Tusqh incorporates anti-aliasing algorithms to mitigate grid orientation and scale effects. It is designed for creating finite element meshes for simulations and can be used in various applications such as heat diffusion, mechanical simulations, and computer graphics rendering. The software outputs meshes in an open format compatible with downstream software. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗
NASA NTRS1987

Measurement of opaque film thickness

The theoretical and experimental framework for thickness measurements of thin metal films by low frequency thermal waves is described. Although it is assumed that the films are opaque and the substrates are comparatively poor thermal conductors, the theory is easily extended to other cases of technological interest. A brief description is given of the thermal waves and the experimental arrangement and parameters. The usefulness of the technique is illustrated for making absolute measurements of the thermal diffusivities of isotropic substrate materials. This measurement on pure elemental solids provides a check on the three dimensional theory in the limiting case of zero film thickness. The theoretical framework is then presented, along with numerical calculations and corresponding experimental results for the case of copper films on a glass substrate.

Thomas, R. L.↗
NASA NTRS1993

Impeller flow field characterization with a laser two-focus velocimeter

Use of Computational Fluid Dynamics (CFD) codes, prevalent in the rocket engine turbomachinery industry, necessitates data of sufficient quality and quantity to benchmark computational codes. Existing data bases for typical rocket engine configurations, in particular impellers, are limited. In addition, traditional data acquisition methods have several limitations: typically transducer uncertainties are 0.5% of transducer full scale and traditional pressure probes are unable to provide flow characteristics in the circumferential (blade-to-blade) direction. Laser velocimetry circumvents these limitations by providing +0.5% uncertainty in flow velocity and +0.5% uncertainty in flow angle. The percent of uncertainty in flow velocity is based on the measured value, not full range capability. The laser electronics multiple partitioning capability allows data acquired between blades as the impeller rotates, to be analyzed separately, thus providing blade-to-blade flow characterization. Unlike some probes, the non-intrusive measurements made with the laser velocimeter does not disturb the flow. To this end,, and under Contract (NAS8-38864) to the National Aeronautics and Space Administration (NASA) at Marshall Space Flight Center (MSFC), an extensive test program was undertaken at Rocketdyne. Impellers from two different generic rocket engine pump configurations were examined. The impellers represent different spectrums of pump design: the Space Shuttle Main Engine (SSME) high pressure fuel turbopump (HPFTP) impeller was designed in the 1 1970's the Consortium for CFD application in Propulsion Technology Pump Stage Technology Team (Pump Consortium) optimized impeller was designed with the aid of modern computing techniques. The tester configuration for each of the impellers consisted of an axial inlet, an inducer, a diffuser, and a crossover discharge. While the tested configurations were carefully chosen to be representative of generic rocket engine pumps, several features of both testers were intentionally atypical. A crossover discharge, downstream of the impeller, rather than a volute discharge was used to minimize asymmetric flow conditions that might be reflected in the impeller discharge flow data. Impeller shroud wear ring radial clearances were purposely close to minimize leakage flow, thus increasing confidence in using the inlet data as an input to CFD programs. The empirical study extensively examined the flow fields of the two impellers via performance of laser two-focus velocimeter surveys in an axial plane upstream of the impellers and in multiple radial planes downstream of the impellers. Both studies were performed at the impeller design flow coefficients. Inlet laser surveys that provide CFD code inlet boundary conditions were performed in one axial plane, with ten radial locations surveyed. Three wall static pressures, positioned circumferentially around the impeller inlet, were used to identify asymmetrical pressure distributions in the inlet survey plane. The impeller discharge flow characterization consisted of three radial planes for the SSME HPFTP impeller and two radial planes for the Pump Consortium optimized impeller. Housing wall static pressures were placed to correspond to the radial locations surveyed with the laser velocimeter. Between five and thirteen axial stations across the discharge channel width were examined in each radial plane during the extensive flow mapping. The largely successful empirical flow characterization of two different impellers resulted in a substantial contribution to the limited existing data base, and yielded accurate data for CFD code benchmarking.

Brozowski, L. A.↗
NASA NTRS2021

Characterization of Bidirectional Transmissive and Reflective Properties of Black Silicon

This paper describes the initial work of characterizing the transmissive and reflective properties of black silicon diffusers. The diffusers were fabricated from a 100 mm diameter black silicon sample at NASA’s Goddard Space Flight Center (GSFC). The directional hemispherical reflectance from 250 nm to 2500 nm and BRDF/BTDF measurements at 632.8 nm, 1064 nm, and 1550 nm were measured using the GSFC Diffuser Calibration Laboratory’s (DCL) spectrophotometer and optical scatterometer. The diffusers exhibit a low level of specular reflection up to ~1100 nm with no evidence of retroscatter. The measurements are traceable to those made at the National Institute of Standards and Technology (NIST).

Bidirectional Reflectance Distribution Function↗
DOE OSTI2021

Scaling of Transition State Vibrational Frequencies and Application of d -Band Theory to the Brønsted–Evans–Polanyi Relationship on Surfaces

Semiempirical energy relations provide a means of estimating thermodynamic properties. Specifically, linear scaling relationships (LSRs) and Brønsted–Evans–Polanyi (BEP) relationships correlate adsorption energies between adsorbates across surfaces and reaction energies with activation barriers, respectively. Although vibrational scaling relations (VSRs) exist between adsorbates at identical sites, scaling between vibrational frequencies of adsorbed local minima and transition states is lacking. Here, we present density functional theory calculations for AH X (A = C, N, O) diffusions on transition metal surfaces and reveal linear scaling between frequencies of local minima and the transition state between those minima. Using d-band theory and linear muffin tin orbital theory (LMTO), we derive the slopes of these transition state vibrational scaling relations (TSVSRs) and, in so doing, provide a rigorous theory extending the original BEP relations developed for solution chemistry to surface chemistry. Furthermore, with a single reference DFT calculation, we predict the slopes and quantify uncertainty in the predictions.

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

Studies on small charge packet transport in high-resistivity fully-depleted CCDs

In this work, we will present a physical model and measurements of the transport of small charge packets in the bulk of thick high resistivity CCD before being collected by the pixel potential wells. A new technique to measure the lateral spread of the charge as a function of the ionization depth in the bulk is presented. Results from measurements on CCD currently in use for several scientific instruments are shown and validated with a new mathematical algorithm to extend the current modeling based only on the diffusion of the charge in silicon.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Adaptive Interface-PINNs (AdaI-PINNs) for transient diffusion: Applications to forward and inverse problems in heterogeneous media

We model transient diffusion in heterogeneous materials using a novel physics-informed neural networks framework (PINNs) termed Adaptive interface physics-informed neural networks or AdaI-PINNs (Roy et al. arXiv preprint arXiv:2406.04626, 2024). AdaI-PINNs utilize different activation functions with trainable slopes tailored to each material region within the computational domain, allowing for a fully automated and adaptive PINNs approach to model interface problems with strongly and weakly discontinuous solutions. To enhance its performance in highly heterogeneous transient diffusion systems, we prescribe a suite of robust practices, including appropriate non-dimensionalization of equations, a biased sampling method, Glorot initialization, and the hard enforcement of boundary and initial conditions. Here we evaluate the efficacy of the proposed method on several benchmark forward and inverse problems. Comparative studies on one-dimensional and two-dimensional benchmark problems reveal that the modified AdaI-PINNs outperform its unmodified counterpart, achieving root-mean-square errors that are at least two orders of magnitude better in forward problems. For inverse problems, the maximum errors in the approximated diffusion coefficients by modified AdaI-PINNs are four orders of magnitude better than those of the unmodified version. Additionally, modified AdaI-PINNs demonstrate improved stability in problems with large material mismatches.

42 ENGINEERING↗
DOE OSTI2022

Creating Functional Oxynitride–Silicon Interfaces and SrNbO 2 N Thin Films for Photoelectrochemical Applications

Photoelectrochemical performance dependence upon absorption length, carrier diffusion length, and surface area of an oxynitride photoabsorber is investigated. How best to fabricate optical-quality thin films of bandgap-tunable oxynitrides is also discussed. We targeted the stoichiometric compound SrNbO 2 N as an optimal wide-bandgap photoabsorber (1.9 eV) for use with silicon (1.1 eV) in a tandem structure photoelectrochemical cell. Preparation of perovskite oxynitrides at high-temperature as isolated powders is often straightforward, but it is difficult to integrate them as thin films in tandem junction devices with low-temperature materials. Here we develop the first method to prepare optical-quality SrNbO 2 N thin-films of tunable thickness and roughness on single-crystal silicon substrate. This achievement required an interfacial layer of ultra-thin TaN to be used as a barrier to reduce the inter-diffusion of silicon and oxygen during oxynitride syn-thesis. We produced a variety of SrNbO 2 N film thicknesses (20-440 nm) on n + -Si(100) surfaces. Roughness factor (0.14-21) scaled with thickness. The intrinsic photoelectrochemical activity of these devices was evaluated using a low-barrier sacrificial electron donor. Photocurrent density and photovoltage revealed a significant (and non-linear) dependence on film thickness and roughness. Furthermore, absorption length, carrier diffusion length, and surface area were each found to play key roles. Balancing these is required for optimally performing devices.

08 HYDROGEN↗
DOE OSTI2024

The impact of helium on plasma-driven hydrogen permeation and implications for direct internal recycling in the fusion fuel cycle

Abstract Metal foil pumps (MFPs) are the leading technology for direct internal recycling (DIR) of hydrogen isotopes from the plasma exhaust in future fusion plants. MFPs rely on the concept of superpermeation, where superthermal H atoms directly absorb into the metal foil, rapidly diffuse, and desorb downstream. To date, studies of superpermeation have predominantly employed either pure hydrogen or in some cases trace levels of impurities. The plasma exhaust is expected to contain just ∼1% helium, but in DIR the source gas would be enriched in helium as hydrogen isotopes are extracted. In this work, we explore the impact of helium on hydrogen superpermeation at low temperature (75 °C–200 °C) using Pd-based foils. To first order, the flux scaled linearly with the hydrogen mole fraction. Stable permeation was observed until the helium fraction reached ∼80%, where the flux began to decline slowly with time. In addition, short term (1–5 min) exposure to pure helium plasma significantly attenuated subsequent hydrogen plasma permeation, and the degree was more dramatic at elevated temperature. This attenuation was correlated with He retention in the foils, which was detected by time-of-flight secondary ion mass spectrometry at low levels (<0.1 at. %) and limited to the near surface (<10 nm). Similar trends were observed among all alloys (Pd, PdAg, PdCu), and the foils were restored to full performance with an Ar + sputter clean. The potential for helium plasma exposure to impact MFP performance under these conditions has not been previously reported, and these findings have significant implications to the design and implementation of practical DIR systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Optimizing the Orientation of Solar Photovoltaic Systems Considering the Effects of Irradiation and Cell Temperature Models with Dust Accumulation

To cope with the growing installation capacities of solar photovoltaic (PV) systems in desert areas, it is necessary to revisit the energy production models and the optimal angles of PV panels given the significant impacts of ambient temperature, wind speed, dust accumulation, and cleaning frequency. In this study, these four factors are examined for four PV technologies (polycrystalline, microcrystalline, monocrystalline, and thin-film) at three cities in Jordan, Egypt, and Tunisia using precise ground-level meteo-solar measurements. Different models are compared to estimate the diffuse irradiance, as well as account for the effects of operating temperature, wind speed, and dust accumulation on energy production and optimal tilt and azimuth angles of the panels. The results reveal 1.5 % higher energy production estimates using the isotropic model, compared to the anisotropic model in the summer months. Considering the cooling effect of wind speed decreases the operating cell temperature drops by up to 7.05 % for thin film panels. The annually produced energy decreases by 24 % when the panels are cleaned bi-monthly. When the dust accumulation rate doubles, the energy production decreases by ~10 % for all studied cases. Also, the variations in optimal tilt and azimuth angles with dust accumulation rate are within ~3.0 degrees .

14 SOLAR ENERGY↗