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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Modeling the Formation of Hydrate-Filled Veins in Fine-Grained Sediments from in Situ Microbial Methane

Continental margin sediments are dominantly fine-grained silt and clay, and methane hydrates in these sediments are often found in semi-vertical veins and fractures. In several instances, these hydrate veins occupy discrete depth intervals that are a few tens of meters thick and are surrounded by hydrate-free sediments. As they are not connected with gas sources beneath the base of the gas hydrate stability zone (GHSZ), these isolated hydrate-bearing intervals have been interpreted as formed by in situ microbial methane. To investigate the formation of these hydrate deposits, we applied a time-dependent advection-diffusion-reaction model that includes the effects of sedimentation, compaction, solute diffusion, and microbial methane generation. Microbial methane generation depends on the amount of metabolizable organic carbon deposited at the seafloor, whose progressive degradation produces methane beneath the sulfate reduction zone. If the amount of organic carbon entering the methanogenic zone is kept constant in time, we found that the computed amounts of hydrate formed in discrete intervals within the GHSZ are well below those estimated from observations. On the other hand, if the deposition of organic carbon is higher in a given time interval, methane generation during burial is more intense in the corresponding sediment interval, resulting in enhanced hydrate formation. With variations in organic carbon deposition comparable to those generally observed in continental margins, our model was able to reproduce the methane hydrate contents that were estimated from drilling. These results support the suggestion that in situ microbial generation associated with transient organic carbon deposition is the source of methane that forms isolated intervals of hydrate-filled veins in fine-grained sediments.

58 GEOSCIENCES↗
DOE OSTI2017

LUNUS, Version 0.1a

LUNUS software for generating 3D maps of diffuse scattering from macromolecular X-ray crystallography diffraction images. A set of tools needed for advanced refinement of crystal structures and crystallographic charge density models. Includes tools for processing X--ray diffraction images, charge density maps, and structure factors for analysis of diffuse X-ray scattering and charge density variations in crystallography. Specific methods include: elementary algebraic operations on images and 3D lattices; fourier transform of images and 3D lattices; image processing to measure diffuse intensity; crystallographic refinement; and 3D integration of diffuse intensity.

Wall, Michael↗
DOE OSTI2025

Diffusion Model-Guided Inverse Design of Bimetallic Catalysts for Ammonia Decomposition

In the past decade, artificial intelligence and deep learning have played increasingly prominent roles in materials design and discovery. Among these, generative AI models, known for their ability to create unique and complex structures, have emerged as state-of-the-art tools for materials screening due to their high efficiency and low computational cost. In catalysis, one of the major challenges is identifying promising material candidates within an immense chemical space. This challenge can be addressed using generative approaches, such as diffusion-based inverse design models. In this study, we present a machine learning-guided workflow that employed a diffusion model for the inverse design of bimetallic alloy catalysts for low-carbon ammonia decomposition, a key reaction for ammonia emission control and sustainable hydrogen production. Catalyst candidates were evaluated using nitrogen adsorption energy as the key descriptor, inspired by multiscale modeling. The proposed workflow identified low-cost, environmentally friendly catalysts with excellent catalytic performance, which have been validated theoretically and experimentally. Our framework decoupled the generative and property-prediction components, enhancing both flexibility and accuracy in the catalytic material design process.

Adsorption↗
NASA NTRS1973

Temperature dependence of damage coefficient in electron irradiated solar cells

Measurements of light-generated current vs cell temperature on electron-irradiated n/p silicon solar cells show the temperature coefficient of this current to increase with increasing fluence for both 10-ohm and 20-ohm cells. A relationship between minority-carrier diffusion length and light-generated current was derived by combining measurements of these two parameters: vs fluence at room temperature, and vs cell temperature in cells irradiated to a fluence of 1 x 10 to the 15th power e/sq cm. This relationship was used, together with the light-generated current data, to calculate the temperature dependence of the diffusion-length damage coefficient. The results show a strong decrease in the damage coefficient with increasing temperature in the range experienced by solar panels in synchronous earth orbit.

Faith, T. J.↗
NASA NTRS2004

The Performance of a Subsonic Diffuser Designed for High Speed Turbojet-Propelled Flight

An initial-phase subsonic diffuser has been designed for the turbojet flowpath of the hypersonic x43B flight demonstrator vehicle. The diffuser fit into a proposed mixed-compression supersonic inlet system and featured a cross-sectional shape transitioning flowpath (high aspect ratio rectangular throat-to-circular engine face) and a centerline offset. This subsonic diffuser has been fabricated and tested at the W1B internal flow facility at NASA Glenn Research Center. At an operating throat Mach number of 0.79, baseline Pitot pressure recovery was found to be just under 0.9, and DH distortion intensity was about 0.4 percent. The diffuser internal flow stagnated, but did not separate on the offset surface of this initial-phase subsonic diffuser. Small improvements in recovery (+0.4 percent) and DH distortion (-32 percent) were obtained from using vane vortex generator flow control applied just downstream of the diffuser throat. The optimum vortex generator array patterns produced inflow boundary layer divergence (local downwash) on the offset surface centerline of the diffuser, and an inflow boundary layer convergence (local upwash) on the centerline of the opposite surface.

Biesiadny, Thomas J.↗
DOE OSTI2012

Pitch angle scattering of relativistic electrons from stationary magnetic waves: Continuous Markov process and quasilinear theory

We develop a Markov process theory of charged particle scattering from stationary, transverse, magnetic waves. We examine approximations that lead to quasilinear theory, in particular the resonant diffusion approximation. We find that, when appropriate, the resonant diffusion approximation simplifies the result of the weak turbulence approximation without significant further restricting the regime of applicability. We also explore a theory generated by expanding drift and diffusion rates in terms of a presumed small correlation time. This small correlation time expansion leads to results valid for relatively small pitch angle and large wave energy density - a regime that may govern pitch angle scattering of high-energy electrons into the geomagnetic loss cone.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Perturbative thermal diffusivity from partial sawtooth crashes in Alcator C-Mod

Perturbative thermal diffusivity has been measured on Alcator C-Mod via the use of the extended-time-to-peak method on heat pulses generated by partial sawtooth crashes. Perturbative thermal diffusivity governs the propagation of heat pulses through a plasma. It differs from power balance thermal diffusivity, which governs steady state thermal transport. Heat pulses generated by sawtooth crashes have been used extensively in the past to study heat pulse thermal diffusivity, but the details of the sawtooth event typically lead to non-diffusive 'ballistic' transport, making them an unreliable measure of perturbative diffusivity on many tokamaks. Partial sawteeth are common on numerous tokamaks, and generate a heat pulse without the 'ballistic' transport that often accompanies full sawteeth. This is the first application of the extended-time-to-peak method of diffusivity calculation to partial sawtooth crashes. Furthermore, this analysis was applied to over 50 C-Mod shots containing both L- and I-Mode. Results indicate correlations between perturbative diffusivity and confinement regime (L- versus I-mode), as well as correlations with local temperature, density, the associated gradients, and gradient scale lengths (a/L Te and a/L n ). In addition, diffusivities calculated from partial sawteeth are compared to perturbative diffusivities calculated with the nonlinear gyrokinetic code GYRO. We find that standard ion-scale simulations (ITG/TEM turbulence) under-predict the perturbative thermal diffusivity, but new multi-scale (ITG/TEM coupled with ETG) simulations can match the experimental perturbative diffusivity within error bars for an Alcator C-Mod L-mode plasma. Perturbative diffusivities extracted from heat pulses due to partial sawteeth provide a new constraint that can be used to validate gyrokinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Structural differences between human and mouse neurons and their implementation in generative AIs

Mouse and human brains have different functions that depend on their neuronal networks. We analyzed nanometer-scale three-dimensional structures of brain tissues of the mouse medial prefrontal cortex and compared them with structures of the human anterior cingulate cortex. The obtained results indicated that mouse neuronal somata are smaller and neurites are thinner than those of human neurons. We implemented these characteristics of mouse neurons in convolutional layers of a generative adversarial network (GAN) and a denoising diffusion implicit model (DDIM), which were then subjected to image generation tasks using photo datasets of cat faces, cheese, human faces, birds, and automobiles. The mouse-mimetic GAN outperformed a standard GAN in the image generation task using the cat faces and cheese photo datasets, but underperformed for human faces and birds. The mouse-mimetic DDIM gave similar results, suggesting that the nature of the datasets affected the results. Analyses of the five datasets indicated differences in their image entropy, which should influence the number of parameters required for image generation. The preferences of the mouse-mimetic AIs coincided with the impressions commonly associated with mice. The relationship between the neuronal network and brain function should be investigated by implementing other biological findings in artificial neural networks.

generative AI↗
DOE OSTI2019

NMR_DIFFSIM v. 1.0

The software generates and analyzes nuclear magnetic resonance spin diffusion simulations for the purpose of measuring domain sizes or spin diffusion constants in a heterogenous sample. Its primary capabilities are: 1. It solves the spin magnetization diffusion equation to simulate the results of a spin diffusion experiment using any structural input geometry, including structure models generated by molecular dynamics or other computational or experimental methods. 2. It compares the results of simulations on an input structure to experimental data, providing a data fitting algorithm to extract physical information from the experimental data via the simulation. 3. It can provide statistical measures to compare correlations between structural models, to determine domain clustering and connectedness, and to provide goodness-of-fit measures including chord length distributions, chi-squared values, Pearson coefficients and pair correlation functions. 4. It provides output reports, data files, and movies to visualize simulation results.

Sorte, Eric↗
NASA NTRS1993

An experimental investigation of S-duct flow control using arrays of low-profile vortex generators

An experimental investigation was undertaken to measure the effect of various configurations of low-profile vortex generator arrays on the flow in a diffusing S-duct. Three parameters that characterize the vortex generator array were systematically varied to determine their effect: (1) the vortex generator height; (2) the streamwise location of the vortex generator array; and (3) the vortex generator spacing. Detailed measurements of total pressure at the duct exit, surface static pressure, and surface flow visualization were gathered for each vortex generator configuration. These results are reported here along with total pressure recovery and distortion coefficients determined from the experimental data. Each array of vortex generators tested improved total pressure recovery. The configuration employing the largest vortex generators was the most effective in reducing total pressure recovery. No configuration of vortex generators completely eliminated the flow separation that naturally occurs in the S-duct, however the extent of the separated flow region was reduced.

Reichert, Bruce A.↗
NASA NTRS1993

An experimental investigation of S-duct flow control using arrays of low-profile vortex generators

An experimental investigation was undertaken to measure the effect of various configurations of low-profile vortex generator arrays on the flow in a diffusing S-duct. Three parameters that characterize the vortex generator array were systematically varied to determine their effect: (1) the vortex generator height, (2) the streamwise location of the vortex generator array, and (3) the vortex generator spacing. Each array of vortex generators tested improved total pressure recovery. The configuration employing the largest vortex generators was the most effective in reducing total pressure distortion but did not produce the greatest total pressure recovery. No configuration of vortex generators completely eliminated the flow separation that naturally occurs in the S-duct; however the extent of the separated flow region was reduced.

Reichert, B. A.↗
DOE OSTI2012

Revised methods for few-group cross sections generation in the Serpent Monte Carlo code

This paper presents new calculation methods, recently implemented in the Serpent Monte Carlo code, and related to the production of homogenized few-group constants for deterministic 3D core analysis. The new methods fall under three topics: 1) Improved treatment of neutron-multiplying scattering reactions, 2) Group constant generation in reflectors and other non-fissile regions and 3) Homogenization in leakage-corrected criticality spectrum. The methodology is demonstrated by a numerical example, comparing a deterministic nodal diffusion calculation using Serpent-generated cross sections to a reference full-core Monte Carlo simulation. It is concluded that the new methodology improves the results of the deterministic calculation, and paves the way for Monte Carlo based group constant generation. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Use of finite volume radiation for predicting the Knudsen minimum in 2D channel flow

In an earlier paper we employed an analogy between surface-to-surface radiation and free-molecular flow to model Knudsen flow through tubes and onto planes. In the current paper we extend the analogy between thermal radiation and molecular flow to model the flow of a gas in a 2D channel across all regimes of rarefaction. To accomplish this, we break down the problem of gaseous flow into three sub-problems (self-diffusion, mass-motion and generation of pressure gradient) and use the finite volume method for modeling radiation through participating media to model the transport in each sub-problem as a radiation problem. We first model molecular self-diffusion in the stationary gas by modeling the transport of the molecular number density through the gas starting from the analytical asymptote for free-molecular flow to the kinetic theory limit of gaseous self-diffusion. We then model the transport of momentum through the gas at unit pressure gradient to predict Poiseuille flow and slip flow in the 2D gas. Lastly, we predict the generation of pressure gradient within the gas due to molecular collisions by modeling the transport of the forces generated due to collisions per unit volume of gas. We then proceed to combine the three radiation problems to predict flow of the gas over the entire Knudsen number regime from free-molecular to transition to continuum flow and successfully capture the Knudsen minimum at Kn ∼ 1.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Generating Hyperthermal Atomic Oxygen

Atomic oxygen diffused through silver desorbed by low-energy electron impact. Oxygen atoms diffuse through silver foil and emerge on high-vacuum side, aided by electron-stimulated desorption. Atomic-oxygen flux levels range up to 10 to the 12th power cm to the negative 2 power S to the negative 1 power, and kinetic energies range from 1 to 10 eV. O positive and O negative ions swept aside by charged cylindrical grids.

Outlaw, Ronald A.↗
NASA NTRS1994

The Flux-integral Method for Multidimensional Convection and Diffusion

The flux-integral method is a procedure for constructing an explicit, single-step, forward-in-time, conservative, control volume update of the unsteady, multidimensional convection-diffusion equation. The convective plus diffusive flux at each face of a control-volume cell is estimated by integrating the transported variable and its face-normal derivative over the volume swept out by the convecting velocity field. This yields a unique description of the fluxes, whereas other conservative methods rely on nonunique, arbitrary pseudoflux-difference splitting procedures. The accuracy of the resulting scheme depends on the form of the subcell interpolation assumed, given cell-average data. Cellwise constant behavior results in a (very artificially diffusive) first-order convection scheme. Second-order convection-diffusion schemes correspond to cellwise linear (or bilinear) subcell interpolation. Cellwise quadratic subcell interpolants generate a highly accurate convection-diffusion scheme with excellent phase accuracy. Under constant-coefficient conditions, this is a uniformly third-order polynomial interpolation algorithm (UTOPIA).

Leonard, B. P.↗
DOE OSTI2018

Fundamental study of key issues related to advanced sCO 2 Brayton cycle: Prototypic HX development and cavitation

Diffusion bonded heat exchangers are the leading candidates for the sCO 2 Brayton cycles in next generation nuclear power plants. Commercially available diffusion bonded heat exchangers utilize set of continuous semi-circular zigzag micro channels to increase the heat transfer area and enhance heat transfer through increased turbulence production. Such heat exchangers can lead to excessive pressure drop as well as flow maldistribution in the case of poorly designed flow distribution headers. The goal of the current project is to fabricate and test potential discontinuous fin patterns for diffusion bonded heat exchangers; which can achieve desired thermal performance at lower pressure drops. Prototypic discontinuous offset rectangular and Airfoil fin surface geometries were chemically etched on to 316 stainless steel plate and sealed against an un-etched flat pate using O-ring seal emulating diffusion bonded heat exchangers. Thermal-hydraulic performance of these prototypic discontinuous fin geometries was experimentally evaluated and compared to the existing data for the continuous zigzag channels. The data generated from this project will serve as the database for future testing and validation of numerical models.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Measurements and modeling of the impact of weak magnetic fields on the plasma properties of a planar slot antenna driven plasma source

The radial line slot antenna plasma source is a type of surface wave plasma source driven by a planar slot antenna. Microwave power is transmitted through a slot antenna structure and dielectric window to a plasma characterized by a generation zone adjacent to the window and a diffusion zone that contacts a substrate. The diffusion zone is characterized by a very low electron temperature. This renders the source useful for soft etch applications and thin film deposition processes requiring low ion energy. Another property of the diffusion zone is that the plasma density tends to decrease from the axis to the walls under the action of ambipolar diffusion at distances far from where the plasma is generated. A previous simulation study [Yoshikawa and. Ventzek, J. Vac. Sci. Technol. A 31, 031306 (2013)] predicted that the anisotropy in transport parameters due to weak static magnetic fields less than 50 G could be leveraged to manipulate the plasma profile in the radial direction. These simulations motivated experimental tests in which weak magnetic fields were applied to a radial line slot antenna source. Plasma absorption probe measurements of electron density and etch rate showed that the magnetic fields remote from the wafer were able to manipulate both parameters. A summary of these results is presented in this paper. Argon plasma simulation trends are compared with experimental plasma and etch rate measurements. A test of the impact of magnetic fields on charge up damage showed no perceptible negative effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗