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At least 1,351 records · Page 75

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NASA NTRS2009

Modeling Joule Heating Effect on Lunar O2 Generation via Electrolytic Reduction.

Kennedy Space Center is leading research work on lunar O2 generation via electrolytic reduction of regolith; the metal oxide present in the regolith is dissociated in oxygen anions and metal cations leading to the generation of gaseous oxygen at the anode and liquid metal at the cathode. Electrical resistance of molten regolith is high, leading to heating of the melt when electrical current is applied between the electrodes (Joule heating). The authors have developed a 3D model using a rigorous approach for two coupled physics (thermal and electrical potential) to not only study the effect of Joule heating on temperature distribution throughout the molten regolith but also to evaluate and optimize the design of the electrolytic cells. This paper presents the results of the thermal analysis performed on the model and used to validate the design of the electrolytic cell.

Dominquez, Jesus↗

DOE OSTI2025

Many-body expansion based machine learning models for octahedral transition metal complexes

Abstract Graph-based machine learning (ML) models for material properties show great potential to accelerate virtual high-throughput screening of large chemical spaces. However, in their simplest forms, graph-based models do not include any 3D information and are unable to distinguish stereoisomers such as those arising from different orderings of ligands around a metal center in coordination complexes. In this work we present a modification to revised autocorrelation descriptors, a molecular graph featurization method, for predicting spin state dependent properties of octahedral transition metal complexes (TMCs). Inspired by analytical semi-empirical models for TMCs, the new modeling strategy is based on the many-body expansion (MBE) and allows one to tune the captured stereoisomer information by changing the truncation order of the MBE. We present the necessary modifications to include this approach in two commonly used ML methods, kernel ridge regression and feed-forward neural networks. On a test set composed of all possible isomers of binary TMCs, the best MBE models achieve mean absolute errors (MAEs) of 2.75 kcal mol −1 on spin-splitting energies and 0.26 eV on frontier orbital energy gaps, a 30%–40% reduction in error compared to models based on our previous approach. We also observe improved generalization to previously unseen ligands where the best-performing models exhibit MAEs of 4.00 kcal mol −1 (i.e. a 0.73 kcal mol −1 reduction) on the spin-splitting energies and 0.53 eV (i.e. a 0.10 eV reduction) on the frontier orbital energy gaps. Because the new approach incorporates insights from electronic structure theory, such as ligand additivity relationships, these models exhibit systematic generalization from homoleptic to heteroleptic complexes, allowing for efficient screening of TMC search spaces.

Meyer, Ralf (ORCID:0000000322360261)↗

DOE OSTI2014

Impact of Polymer Electrolyte Membrane Degradation Products on Oxygen Reduction Reaction Activity for Platinum Electrocatalysts

The impact of model membrane degradation compounds on the relevant electrochemical parameters for the oxygen reduction reaction (i.e. electrochemical surface area and catalytic activity), was studied for both polycrystalline Pt and carbon supported Pt electrocatalysts. Model compounds, representing previously published, experimentally determined polymer electrolyte membrane degradation products, were in the form of perfluorinated organic acids that contained combinations of carboxylic and/or sulfonic acid functionality. Perfluorinated carboxylic acids of carbon chain length C1 – C6 were found to have an impact on electrochemical surface area (ECA). The longest chain length acid also hindered the observed oxygen reduction reaction (ORR) performance, resulting in a 17% loss in kinetic current (determined at 0.9 V). Model compounds containing sulfonic acid functional groups alone did not show an effect on Pt ECA or ORR activity. Lastly, greater than a 44% loss in ORR activity at 0.9V was observed for diacid model compounds DA-Naf (perfluoro(2-methyl-3-oxa-5-sulfonic pentanoic) acid) and DA-3M (perfluoro(4-sulfonic butanoic) acid), which contained both sulfonic and carboxylic acid functionalities.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2014

TH-A-18C-10: Dynamic Intensity Weighted Region of Interest Imaging

Purpose: For image guidance tasks full image quality is not required throughout the entire image. With dynamic filtration of the kV imaging beam the noise properties of the CT image can be locally controlled, providing a high quality image around the target volume with a lower quality surrounding region while providing substantial dose sparing to the patient as well as reduced scatter fluence on the detector. Methods: A dynamic collimation device with 3mm copper blades has been designed to mount in place of the bowtie filter on the On-Board Imager (Varian Medical Systems). The beam intensity is reduced by 95% behind the copper filters and the aperture is controlled dynamically to conformally illuminate a given ROI during a standard cone-beam CT scan. A data correction framework to account for the physical effects of the collimator prior to reconstruction was developed. Furthermore, to determine the dose savings and scatter reduction a monte carlo model was built in BEAMnrc with specifics from the Varian Monte Carlo Data Package. The MC model was validated with Gafchromic film. Results: The reconstructed image shows image quality comparable to a standard scan in the specified ROI, with higher noise and streaks in the outer region but still sufficient information for alignment to high contrast structures. The monte carlo modeling showed that the scatter-to-primary ratio was reduced from 1.26 for an unfiltered scan to 0.45 for an intensity weighted scan, suggesting that image quality may be improved in the inner ROI. Dose in the inner region was reduced 10–15% due to reduced scatter and by as much as 75% in the outer region. Conclusion: Dynamic intensity-weighted ROI imaging allows reduction of imaging dose to sensitive organs away from the target region while providing images that retain their utility for patient setup and procedure guidance. Funding was provided in part by Varian Medical Systems and NIH Grants 1RO1CA120540, T32EB002103, S10 RR021039 and P30 CA14599. The contents of this work are solely the responsibility of the authors and do not necessarily represent the official views of any of the supporting organizations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Moltensaltpropnet

MoltenSaltPropnet is a physics-informed machine learning framework that aims to predict the thermophysical properties of molten fluoride and chloride salt mixtures, which are crucial for the design and safety of Generation IV molten salt reactors. The code processes data from the Molten-Salt Thermal Properties Database (MSTDB-TP) and the Janz compendium, converting critically evaluated correlations into fast, differentiable surrogate models for density, viscosity, thermal conductivity, and heat capacity across 448 distinct salt systems. The implementation consists of several key components: 1. Data Curation: The code parses and cleans the raw data, normalizing elemental mole fractions and extracting relevant regression coefficients for various thermophysical properties. 2. Feature Engineering: It generates fixed-length numerical descriptors that encapsulate the composition and temperature, incorporating polynomial interaction terms and dimensionality-reduction techniques to optimize model performance. 3. Coefficient Learning: Four different machine learning architectures are employed: a deep residual network (ResNet), a Kolmogorov–Arnold network (KAN), a sparsity-inducing neural network (SNN), and classical regression models. Each model learns to predict coefficients that define the temperature-dependent correlations for the thermophysical properties. 4. Property Reconstruction: The predicted coefficients are used to compute temperature-dependent property values, ensuring positivity and monotonic trends through a composite loss function that enforces physical constraints. 5. User Interface: An open-source web application enables users to filter the database, train task-specific models, and visualize the results, allowing for rapid exploration of candidate salt mixtures. MoltenSaltPropnet bridges the gap between limited experimental data and high-fidelity reactor simulations, providing a powerful tool for researchers in the field of molten salt reactors and advanced nuclear energy systems.

Retamales, Mauricio Eduardo Tano [Idaho National L↗

NASA NTRS2001

An Experimental Study of the Ground Transportation System (GTS) Model in the NASA Ames 7- by 10-Ft Wind Tunnel

The 1/8-scale Ground Transportation System (GTS) model was studied experimentally in the NASA Ames 7- by 10-Ft Wind Tunnel. Designed for validation of computational fluid dynamics (CFD), the GTS model has a simplified geometry with a cab-over-engine design and no tractor-trailer gap. As a further simplification, all measurements of the GTS model were made without wheels. Aerodynamic boattail plates were also tested on the rear of the trailer to provide a simple geometry modification for computation. The experimental measurements include body-axis drag, surface pressures, surface hot-film anemometry, oil-film interferometry, and 3-D particle image velocimetry (PIV). The wind-averaged drag coefficient with and without boattail plates was 0.225 and 0.277, respectively. PIV measurements behind the model reveal a significant reduction in the wake size due to the flow turning provided by the boattail plates. Hot-film measurements on the side of the cab indicate laminar separation with turbulent reattachment within 0.08 trailer width for zero and +/- 10 degrees yaw. Oil film interferometry provided quantitative measurements of skin friction and qualitative oil flow images. A complete set of the experimental data and the surface definition of the model are included on a CD-ROM for further analysis and comparison.

Storms, Bruce L.↗

DOE OSTI2014

Plasmon excitation in metal slab by fast point charge: The role of additional boundary conditions in quantum hydrodynamic model

We study the wake effect in the induced potential and the stopping power due to plasmon excitation in a metal slab by a point charge moving inside the slab. Nonlocal effects in the response of the electron gas in the metal are described by a quantum hydrodynamic model, where the equation of electronic motion contains both a quantum pressure term and a gradient correction from the Bohm quantum potential, resulting in a fourth-order differential equation for the perturbed electron density. Thus, besides using the condition that the normal component of the electron velocity should vanish at the impenetrable boundary of the metal, a consistent inclusion of the gradient correction is shown to introduce two possibilities for an additional boundary condition for the perturbed electron density. We show that using two different sets of boundary conditions only gives rise to differences in the wake potential at large distances behind the charged particle. On the other hand, the gradient correction in the quantum hydrodynamic model is seen to cause a reduction in the depth of the potential well closest to the particle, and a reduction of its stopping power. Even for a particle moving in the center of the slab, we observe nonlocal effects in the induced potential and the stopping power due to reduction of the slab thickness, which arise from the gradient correction in the quantum hydrodynamic model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

AMOC sensitivity to surface buoyancy fluxes: Stronger ocean meridional heat transport with a weaker volume transport?

Oceanic northward heat transport is commonly assumed to be positively correlated with the Atlantic meridional overturning circulation (AMOC). For example, in numerical "water-hosing" experiments, imposing anomalous freshwater fluxes in the northern Atlantic leads to a slow-down of the AMOC and the corresponding reduction of oceanic northward heat transport. Here, we study the sensitivity of the ocean heat and volume transports to surface heat and freshwater fluxes using a generalized stability analysis. For the sensitivity to surface freshwater fluxes, we find that, while the direct relationship between the AMOC volume and heat transports holds on shorter time scales, it can reverse on timescales longer than 500 years or so. That is, depending on the model surface boundary conditions, reduction in the AMOC volume transport can potentially lead to a stronger heat transport on long timescales, resulting from the gradual increase in ocean thermal stratification. Finally, we discuss the implications of these results for the problem of steady state (statistical equilibrium) in ocean and climate GCM as well as paleoclimate problems including millennial climate variability.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1991

BVI impulsive noise reduction by higher harmonic pitch control - Results of a scaled model rotor experiment in the DNW

Results are presented of a model rotor acoustics test performed to examine the benefit of higher harmonic control (HHC) of blade pitch to reduce blade-vortex interaction (BVI) impulsive noise. A dynamically scaled, four-bladed, rigid rotor model, a 40-percent replica of the B0-105 main rotor, was tested in the German Dutch Wind Tunnel. Noise characteristics and noise directivity patterns as well as vibratory loads were measured and used to demonstrate the changes when different HHC schedules were applied. Dramatic changes of the acoustic signatures and the noise radiation directivity with the HHC phase variations are found. Compared to the baseline conditions (without HHC), significant mid-frequency noise reductions of locally 6 dB are obtained for low-speed descent conditions where GVI is most intense. For other rotor operating conditions with less intense BVI there is less or no benefit from the use of HHC. LF noise and vibratory loads, especially at optimum noise reduction control settings, are found to increase.

Splettstoesser, Wolf R.↗

DOE OSTI2015

Controls on terrestrial carbon feedbacks by productivity versus turnover in the CMIP5 Earth System Models

To better understand sources of uncertainty in projections of terrestrial carbon cycle feedbacks, we present an approach to separate the controls on modeled carbon changes. We separate carbon changes into four categories using a linearized, equilibrium approach: those arising from changed inputs (productivity-driven changes), and outputs (turnover-driven changes), of both the live and dead carbon pools. Using Coupled Model Intercomparison Project Phase 5 (CMIP5) simulations for five models, we find that changes to the live pools are primarily explained by productivity-driven changes, with only one model showing large compensating changes to live carbon turnover times. For dead carbon pools, the situation is more complex as all models predict a large reduction in turnover times in response to increases in productivity. This response arises from the common representation of a broad spectrum of decomposition turnover times via a multi-pool approach, in which flux-weighted turnover times are faster than mass-weighted turnover times. This leads to a shift in the distribution of carbon among dead pools in response to changes in inputs, and therefore a transient but long-lived reduction in turnover times. Since this behavior, a reduction in inferred turnover times resulting from an increase in inputs, is superficially similar to priming processes, but occurring without the mechanisms responsible for priming, we call the phenomenon "false priming", and show that it masks much of the intrinsic changes to dead carbon turnover times as a result of changing climate. These patterns hold across the fully coupled, biogeochemically coupled, and radiatively coupled 1 % yr -1 increasing CO 2 experiments. We disaggregate inter-model uncertainty in the globally integrated equilibrium carbon responses to initial turnover times, initial productivity, fractional changes in turnover, and fractional changes in productivity. For both the live and dead carbon pools, inter-model spread in carbon changes arising from initial conditions is dominated by model disagreement on turnover times, whereas inter-model spread in carbon changes from fractional changes to these terms is dominated by model disagreement on changes to productivity in response to both warming and CO 2 fertilization. However, the lack of changing turnover time control on carbon responses, for both live and dead carbon pools, in response to the imposed forcings may arise from a common lack of process representation behind changing turnover times (e.g., allocation and mortality for live carbon; permafrost, microbial dynamics, and mineral stabilization for dead carbon), rather than a true estimate of the importance of these processes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2000

Advanced Subsonic Technology (AST) Separate-Flow High-Bypass Ratio Nozzle Noise Reduction Program Test Report

NASA s model-scale nozzle noise tests show that it is possible to achieve a 3 EPNdB jet noise reduction with inwardfacing chevrons and flipper-tabs installed on the primary nozzle and fan nozzle chevrons. These chevrons and tabs are simple devices and are easy to be incorporated into existing short duct separate-flow nonmixed nozzle exhaust systems. However, these devices are expected to cause some small amount of thrust loss relative to the axisymmetric baseline nozzle system. Thus, it is important to have these devices further tested in a calibrated nozzle performance test facility to quantify the thrust performances of these devices. The choice of chevrons or tabs for jet noise suppression would most likely be based on the results of thrust loss performance tests to be conducted by Aero System Engineering (ASE) Inc. It is anticipated that the most promising concepts identified from this program will be validated in full scale engine tests at both Pratt & Whitney and Allied-Signal, under funding from NASA s Engine Validation of Noise Reduction Concepts (EVNRC) programs. This will bring the technology readiness level to the point where the jet noise suppression concepts could be incorporated with high confidence into either new or existing turbofan engines having short-duct, separate-flow nacelles.

Low, John K. C.↗

DOE OSTI2016

Simulation Model of Microsphere Distribution for Selective Internal Radiation Therapy Agrees With Observations

Purpose: To perform a detailed analysis of microsphere distribution in biopsy material from a patient treated with {sup 90}Y-labeled resin spheres and characterize microsphere distribution in the hepatic artery tree, and to construct a novel dichotomous bifurcation model for microsphere deposits and evaluate its accuracy in simulating the observed microsphere deposits. Methods and Materials: Our virtual model consisted of arteries that successively branched into 2 new generations of arteries at 20 nodes. The artery diameter exponentially decreased from the lowest generation to the highest generation. Three variable parameters were optimized to obtain concordance between simulations and measure microsphere distributions: an artery coefficient of variation (ACV) for the diameter of all artery generations and the microsphere flow distribution at the nodes; a hepatic tree distribution volume (HDV) for the artery tree; and an artery diameter reduction (ADR) parameter. The model was tested against previously measured activity concentrations in 84 biopsies from the liver of 1 patient. In 16 of 84 biopsies, the microsphere distribution regarding cluster size and localization in the artery tree was determined via light microscopy of 30-μm sections (mean concentration, 14 microspheres/mg; distributions divided into 3 groups with mean microsphere concentrations of 4.6, 14, and 28 microspheres/mg). Results: Single spheres and small clusters were observed in terminal arterioles, whereas large clusters, up to 450 microspheres, were observed in larger arterioles. For 14 microspheres/mg, the optimized parameter values were ACV=0.35, HDV = 50 cm{sup 3}, and ADR=6 μm. For 4.6 microspheres/mg, ACV and ADR decreased to 0.26 and 0 μm, respectively, whereas HDV increased to 130 cm{sup 3}. The opposite trend was observed for 28 microspheres/mg: ACV = 0.49, HDV = 20 cm{sup 3}, and ADR = 8 μm. Conclusion: Simulations and measurements reveal that microsphere clusters are larger and more common in volumes with high microsphere concentrations and indicate that the spatial distribution of the artery tree must be considered in estimates of microsphere distributions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Time-resolved CO 2 , CO, and N 2 vibrational population measurements in Ns pulse discharge plasmas

Abstract Time-resolved CO 2 and N 2 vibrational populations and translational-rotational temperature are measured in a CO 2 –N 2 plasma sustained by a ns pulse discharge burst in plane-to-plane geometry. Time-resolved, absolute number density of CO generated in the plasma is also inferred from the experimental data. CO 2 and CO vibrational populations are measured by mid-IR, tunable quantum cascade laser absorption spectroscopy, and N 2 vibrational populations are measured by the ns broadband vibrational CARS. Transient excitation of N 2 and CO 2 asymmetric stretch vibrational energy modes is detected during the discharge burst. The time-resolved rate of CO generation does not correlate with N 2 or CO 2 ( ν 3 ) vibrational temperatures, indicating that CO 2 dissociation via the vibrational excitation is insignificant at the present conditions. The rate of CO generation decreases gradually during the discharge burst. The estimated specific energy cost of the CO product is close to that of N atoms in pure nitrogen, measured previously at similar operating conditions. Comparison of the experimental data with the kinetic modeling analysis indicates that CO 2 dissociation in collisions with electronically excited N 2 molecules is the dominant channel of CO generation at the present conditions, although the inferred CO yield in these processes is significantly lower than 1. The effect of vibrational energy transfer between N 2 and CO 2 on the plasma chemical processes is insignificant. The kinetic model underpredicts a rapid reduction of the N 2 and CO 2 ( ν 3 ) vibrational temperatures during the later half of the discharge burst and in the afterglow. V–T relaxation of N 2 by N and O atoms generated in the ns pulse discharge plasma does not affect the vibrational relaxation rate in a significant way. However, rapid V–T relaxation of CO 2 by O atoms has a significant effect on the relaxation rate. The difference between the experimental data and the modeling predictions may be due to the unknown scaling of the CO 2 –O V–T rates with the vibrational quantum number.

Physics↗

NASA NTRS1977

The application of remote sensing to the development and formulation of hydrologic planning models: Executive summary

Methods for the reduction of remotely sensed data and its application in hydrologic land use assessment, surface water inventory, and soil property studies are presented. LANDSAT data is used to provide quantitative parameters and coefficients to construct watershed transfer functions for a hydrologic planning model aimed at estimating peak outflow from rainfall inputs.

Castruccio, P. A.↗

DOE OSTI2019

Diverse Mycorrhizal Associations Enhance Terrestrial C Storage in a Global Model

Accurate projections of the terrestrial carbon (C) sink are critical to understanding the future global C cycle and setting CO 2 emission reduction goals. Current earth system models (ESMs) and dynamic global vegetation models (DGVMs) with coupled carbon-nitrogen cycles project that future terrestrial C sequestration will be limited by nitrogen (N) availability, but the magnitude of N limitation remains a critical uncertainty. Plants use multiple symbiotic nutrient acquisition strategies to mitigate N limitation, but current DGVMs omit these mechanisms. Fully coupling N-acquiring plant-microbe symbioses to soil organic matter (SOM) cycling within a DGVM for the first time, we demonstrate that increases in N acquisition via SOM decomposition and atmospheric N 2 fixation could support long-term enhancement of terrestrial C sequestration at global scales under elevated CO 2 . The model reproduced elevated CO2 responses from two experiments (Duke and Oak Ridge) representing contrasting N acquisition strategies. N release from enhanced SOM decomposition supported vegetation growth at Duke, while inorganic N depletion limited growth at Oak Ridge. Global simulations reproduced spatial patterns of N-acquiring symbioses from a novel niche-based map of mycorrhizal fungi. Under a 100-ppm increase in CO2 concentrations, shifts in N acquisition pathways facilitated 200 Pg C of terrestrial C sequestration over 100 years compared to 50 Pg C for a scenario with static N acquisition pathways. Our results imply that N acquisition strategies are important determinants of terrestrial C sequestration potential under elevated CO 2 and that nitrogen-enabled DGVMs that omit symbiotic N acquisition may underestimate future terrestrial C uptake.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

Reduction of Skylab 2 ground winds

A dampometer was designed and fabricated for measuring the amount of damping in the wind tunnel test model. The ground winds data reduction system (GWDRS) was taken to Langley Research Center in support of wind tunnel tests on the Skylab 2 program. Final data reduction of the test results was accomplished by the GWDRS.

Rolfes, M. J.↗

DOE OSTI2016

Rotational band structure in Mg 32

There is significant evidence supporting the existence of deformed ground states within the neutron-rich N ≈ 20 neon, sodium, and magnesium isotopes that make up what is commonly called the “island of inversion.” However, the rotational band structures, which are a characteristic fingerprint of a rigid nonspherical shape, have yet to be observed. Here, in this work, we report on a measurement and analysis of the yrast (lowest lying) rotational band in 32 Mg up to spin I = 6 + produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ-ray tracking detector array, GRETINA (γ-ray energy tracking in-beam nuclear array). Large-scale shell-model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Finally, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked-shell-model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Group Projected subspace pursuit for IDENTification of variable coefficient differential equations (GP-IDENT)

We propose an effective and robust algorithm for identifying partial differential equations (PDEs) with space-time varying coefficients from the noisy observation of a single solution trajectory. Identifying unknown differential equations from noisy data is a difficult task, and it is even more challenging with space and time varying coefficients in the PDE. The proposed algorithm, GP-IDENT, has three ingredients: (i) we use B-spline bases to express the unknown space and time varying coefficients, (ii) we propose Group Projected Subspace Pursuit (GPSP) to find a sequence of candidate PDEs with various levels of complexity, and (iii) we propose a new criterion for model selection using the Reduction in Residual (RR) to choose an optimal one among a pool of candidates. The new GPSP considers group projected subspaces which is more robust than existing methods in distinguishing correlated group features. We test GP-IDENT on a variety of PDEs and PDE systems, and compare it with the state-of-the-art parametric PDE identification algorithms under different settings to illustrate its outstanding performance. Furthermore, our experiments show that GP-IDENT is effective in identifying the correct terms from a large dictionary, and our model selection scheme is robust to noise.

Data-driven method↗