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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

Experiments and Model Development for the Investigation of Sooting and Radiation Effects in Microgravity Droplet Combustion

Today, despite efforts to develop and utilize natural gas and renewable energy sources, nearly 97% of the energy used for transportation is derived from combustion of liquid fuels, principally derived from petroleum. While society continues to rely on liquid petroleum-based fuels as a major energy source in spite of their finite supply, it is of paramount importance to maximize the efficiency and minimize the environmental impact of the devices that burn these fuels. The development of improved energy conversion systems, having higher efficiencies and lower emissions, is central to meeting both local and regional air quality standards. This development requires improvements in computational design tools for applied energy conversion systems, which in turn requires more robust sub-model components for combustion chemistry, transport, energy transport (including radiation), and pollutant emissions (soot formation and burnout). The study of isolated droplet burning as a unidimensional, time dependent model diffusion flame system facilitates extensions of these mechanisms to include fuel molecular sizes and pollutants typical of conventional and alternative liquid fuels used in the transportation sector. Because of the simplified geometry, sub-model components from the most detailed to those reduced to sizes compatible for use in multi-dimensional, time dependent applied models can be developed, compared and validated against experimental diffusion flame processes, and tested against one another. Based on observations in microgravity experiments on droplet combustion, it appears that the formation and lingering presence of soot within the fuel-rich region of isolated droplets can modify the burning rate, flame structure and extinction, soot aerosol properties, and the effective thermophysical properties. These observations led to the belief that perhaps one of the most important outstanding contributions of microgravity droplet combustion is the observation that in the absence of asymmetrical forced and natural convection, a soot shell is formed between the droplet surface and the flame, exerting an influence on the droplet combustion response far greater than previously recognized. The effects of soot on droplet burning parameters, including burning rate, soot shell dynamics, flame structure, and extinction phenomena provide significant testing parameters for studying the structure and coupling of soot models with other sub-model components.

Choi, Mun Young↗
DOE OSTI2021

Defect characterization and charge transport measurements in high-resolution Ni/n-4H-SiC Schottky barrier radiation detectors fabricated on 250 μ m epitaxial layers

Advances in the growth processes of 4H-SiC epitaxial layers have led to the continued expansion of epilayer thickness, allowing for the detection of more penetrative radioactive particles. In this work, we report the fabrication and characterization of high-resolution Schottky barrier radiation detectors on 250 μm thick n-type 4H-SiC epitaxial layers, the highest reported thickness to date. Several 8 × 8 mm 2 detectors were fabricated from a diced 100 mm diameter 4H-SiC epitaxial wafer grown on a conductive 4H-SiC substrate with a mean micropipe density of 0.11 cm -2 From the Mott–Schottky plots, the effective doping concentration was found to be in the range (0.95–1.85) × 10 14 cm -3 , implying that full depletion could be achieved at ~5.7 kV (0.5 MV/cm at the interface). The current-voltage characteristics demonstrated consistently low leakage current densities of 1–3 nA/cm 2 at a reverse bias of -800 V. This resulted in the pulse-height spectra generated using a 241Am alpha source (5486 keV) manifesting an energy resolution of less than 0.5% full width at half maximum (FWHM) for all the detectors at -200 V. The charge collection efficiencies (CCEs) were measured to be 98–99% with no discernable correlation to the energy resolution. A drift-diffusion model fit to the variation of CCE as a function of bias voltage, revealed a minority carrier diffusion length of ~10 μm. Deep level transient spectroscopy measurements on the best resolution detector revealed that the excellent performance was the result of having ultralow concentrations of the order of 1011 cm-3 lifetime limiting defects—Z 1/2 and EH 6/7 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

MOLNs: A Cloud Platform for Interactive, Reproducible, and Scalable Spatial Stochastic Computational Experiments in Systems Biology Using PyURDME

Computational experiments using spatial stochastic simulations have led to important new biological insights, but they require specialized tools and a complex software stack, as well as large and scalable compute and data analysis resources due to the large computational cost associated with Monte Carlo computational workflows. The complexity of setting up and managing a large-scale distributed computation environment to support productive and reproducible modeling can be prohibitive for practitioners in systems biology. This results in a barrier to the adoption of spatial stochastic simulation tools, effectively limiting the type of biological questions addressed by quantitative modeling. In this paper, we present PyURDME, a new, user-friendly spatial modeling and simulation package, and MOLNs, a cloud computing appliance for distributed simulation of stochastic reaction-diffusion models. In conclusion, MOLNs is based on IPython and provides an interactive programming platform for development of sharable and reproducible distributed parallel computational experiments.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

Ion-beam-induced topography and surface diffusion

It is pointed out that the development of surface topography along with enhanced surface and bulk diffusion processes accompanying ion bombardment have generated growing interest among users of ion beams and plasmas for thin film or material processing. Interest in these processes stems both from attempts to generate topographic changes for specific studies or applications and from the need to suppress or control undesirable changes. The present investigation provides a summary of the current status of impurity-induced texturing, with emphasis on recent developments. Particular attention is given to the texturing accompanying deposition of an impurity material onto a solid surface while simultaneously etching the surface with an ion beam. A description of experimental considerations is provided, and a thermal-diffusion model is discussed along with the development of sputter cones, and aspects of impact-enhanced surface diffusion.

Robinson, R. S.↗
NASA NTRS1984

On the linear approximation of gravity wave saturation in the mesosphere

Lindzen's model of gravity wave breaking is shown to be inconsistent with the process of convective adjustment and associated turbulent outbreak. The K-theory turbulent diffusion model used by Lindzen implies a spatially uniform turbulent field which is not in agreement with the fact that gravity wave saturation and the associated convection produce turbulence only in restricted zones. The Lindzen model may be corrected to some extent by taking the turbulent Prandtl number for a diffusion acting on the wave itself to be very large. The eddy diffusion coefficients computed by Lindzen then become a factor of 2 larger and eddy transports of heat and constituents by wave fields vanish to first order.

Chao, W. C.↗
DOE OSTI2017

Reversible Tuning of the Surface Plasmon Resonance of Indium Tin Oxide Nanocrystals by Gas-Phase Oxidation and Reduction

Heavily doped oxide nanocrystals exhibit a tunable localized surface plasmon resonance (LSPR) in the infrared, a property that is promising for applications in photonics, spectroscopy, and photochemistry. Nanocrystal carrier density and, thus, spectral response are adjustable via chemical reaction; yet, the fundamental processes that govern this behavior are poorly understood. In this work, we study the time dependence of the LSPR supported by indium tin oxide (ITO) nanocrystals during O 2 and N 2 annealing with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). We show that the LSPR red-shifts upon oxidation in O 2 and blue-shifts to its original position upon reduction in N 2 . A reaction–diffusion model allows us to rationalize the underlying physicochemical processes and quantitatively connect nanocrystal redox chemistry, solid-state diffusion, carrier density, and the LSPR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Insights Into Seismicity Associated With Flexibly Operating Enhanced Geothermal System From Real‐Time Distributed Acoustic Sensing

Enhanced Geothermal Systems (EGS) have the capacity to broaden the accessible resource pool for geothermal power generation. Traditionally viewed as a “baseload” resource, their flexible operation might also enable dispatchable load‐following generation and long‐term energy storage, aligning them with the evolving landscape of decarbonized electricity systems. However, increasing permeability and extracting energy during EGS operations can induce microseismic events; for many prior EGS efforts, some associated seismicity has been observed. While energetically beneficial, the flexibility of EGS operations prompts our inquiry into whether new types of operations will yield previously unseen seismicity patterns. We demonstrate the use of distributed acoustic sensing (DAS) with real‐time edge computing to monitor seismicity during a pilot test of a cyclically operated EGS facility at the Blue Mountain geothermal field. Our focus lies in uncovering seismicity insights from the real‐time microseismic catalog, particularly during load‐following dispatchability tests simulating flexible EGS operation. Here, we find that variations in pore pressure consistently correlate with seismicity, and that controlling pressure cycles during flexible operations appears to constrain microseismic activity during subsequent cycles. The spatio‐temporal evolution of microseismic clouds recorded during cyclic injection cycles fits diffusive models over our available observation period. Additionally, seismicity elevation lags behind pore pressure increases, likely due to pressure diffusion to the fracture system boundary. Through real‐time monitoring, we offer novel insights into seismicity associated with flexibly operating EGS. Our findings suggest that leveraging DAS and edge computing can inform EGS operations and help mitigate induced seismicity.

Chamarczuk, Michal [Rice Univ., Houston, TX (Unite↗
DOE OSTI2022

Model Package Report: Composite Analysis Solid Waste Release Model (CASWR Model)

This document describes the implementation of a solid waste form release model in GoldSim for the Hanford Site Composite Analysis (CA) Update. This Composite Analysis Solid Waste Release model (CASWR model) was designed to generate deterministic radionuclide release rates for Hanford’s Central Plateau solid waste disposal sites using single realizations of release model coefficients. Five generalized waste form types are used for the conceptual model of waste release: surplus reactor block, cement, soil-debris, grouted residual waste, and ancillary equipment. The surplus reactor block waste form consists of radionuclide leaching from surplus production graphite reactor core blocks via unspecified processes (White et al., 1984 as cited in PNNL-15965). The cement waste form represents solidified wastes whose permeability is much lower than that of the surrounding soil. The soil-debris waste form type is defined as unconsolidated waste mixed with soil material. Tanks and canyon complexes comprise the grouted residual waste form such that their solid waste will be grouted and capped with a surface barrier at the completion of their cleanup. Finally, the ancillary equipment waste form constitutes contaminant releases from ancillary and auxiliary waste form residues associated with tank farms at closure. Individual sub-models are implemented to numerically represent a respective waste form within the CASWR Model: Surplus Reactor Block Sub-model, Cement Sub-model, SoilDebris Sub-model, Grouted Residual Waste Sub-model, and Ancillary Equipment Submodel. Advection is assumed to be the primary transport process governing the release of radionuclides in the Ancillary Equipment and Soil-Debris Sub-models. Diffusion is assumed to be the primary release process in the Grouted Residual Waste and Cement Sub-models. An unspecified zero-order release process is considered in the Surplus Reactor Block Sub-model due to the lack of information regarding actual processes involved in irradiated graphite leaching. The Surplus Reactor Block, Cement, and SoilDebris Sub-models were compared against analytical solutions (PNNL-11800, Composite Analysis for Low-Level Waste Disposal in the 200 Area Plateau of the Hanford Site). The agreement between results of these analytical solutions and the corresponding waste form models verified their correct implementation in GoldSim. A 1-D modeling abstraction approach for the Grouted Residual Waste and Ancillary Equipment Sub-models was adopted from existing Performance Assessment (PA) models. Despite the simplifications made in these sub-models, they were found to be appropriate representations of the waste forms, similar to what was used in the Waste Management Area C PA model (RPP-ENV-58782, Performance Assessment of Waste Management Area C, Hanford Site, Washington, Rev. 0). A sensitivity analysis was conducted to identify the most influential parameters in each waste form sub-model. Suggestions for considering pH-dependent and redox-dependent release mechanisms are formulated through the development of a conditional constant approach in GoldSim.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1980

Ground-based measurements of DM-2 rocket exhaust effluents using fixed-flow samplers and electrets

Electret devices were used to collect samples of rocket exhaust products. The samples were analyzed by X-ray spectroscopy. The performance of the electrets was compared with that of Thiokol fixed flow samplers during the static test firing of a solid rocket motor (SRM) demonstration model. A vertical profile of wind speed, wind direction, and air temperature, used as inputs to the multilayer diffusion model for the SRM static test is presented.

Susko, M.↗
NASA NTRS1985

Coupled low-energy - ring current plasma diffusion in the Jovian magnetosphere

The outwardly diffusing Iogenic plasma and the simultaneously inwardly diffusing ring current plasma in the Jovian magnetosphere are described using a coupled diffusion model which incorporates the effects of the pressure gradient of the ring current into the cross-L diffusion coefficient. The coupled diffusion coefficient is derived by calculating the total energy available to drive the diffusion process. The condition is imposed that the diffusion coefficient takes on a local minimum value at some point in the region L = 7-8, at which point the gradient of the Io plasma density is specified as ramp value given by Siscoe et al. (1981). The hypothesis that the pressure gradient of the ring current causes the diminution of radial plasma transport is tested, and solution profiles for the Iogenic and ring current plasma densities are obtained which imply that the Io plasma ramp is caused by a high-density, low-energy component of the ring current hitherto unobserved directly.

Summers, D.↗
DOE OSTI2018

Structure and behavior of water-laden CH 4 /air counterflow diffusion flames

A counterflow configuration was used to measure thermal and species structure in water-vapor diluted nonpremixed methane–air flames. The motivation is to understand the chemical and thermal effects that water has when it is introduced as a diluent into the fuel side. Here, this work is relevant to combustion processes where water is incorporated naturally in the fuel; e.g., methane hydrates, and when water is added intentionally for emission reduction such as in flares and H 2 O/fuel emulsions combustion. Experimental data are compared to 1-D computations. The agreement is generally very good, but the one dimensional counterflow diffusion model overpredicts flame temperature and major radical, OH, concentration very near extinction in highly diluted H 2 O–methane/air diffusion flames. Changes in flame position, flame width, and peak temperature with the addition of water were measured. Flame temperatures were measured with thin filament pyrometry. OH-PLIF is used to characterize the flame reaction zone with water dilution; the OH distribution, flame position and thickness from the OH-PLIF images were measured. The results show that the OH intensity and reaction zone thickness decreases with the increase in water. Predictions and experiments demonstrate that water mainly acts thermally to lower the flame temperature until extinction. The OH maximum intensity shifts towards the air side of the counterflow burner with water addition. OH is also measured with CO 2 dilution of the fuel stream, and the results are compared with H 2 O addition, including comparisons with the OH molar peak predictions obtained using the GRI 3.0 mechanism and the CHEMKIN Pro one dimensional counterflow model. The study indicates that water’s chemical effects are to change the production and depletion of OH, H and O radicals, especially near extinction. Chemical kinetics simulation of the flame demonstrates good agreement in OH and flame temperatures over a wide range of dilution away from extinction, particularly for CO 2 . Lastly, an over prediction of the water carrying capacity near extinction is found for highly water-diluted flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Characteristics of Fe Ablation Trials Observed During the 1998 Leonid Meteor Shower

Eighteen Fe ablation trails were observed during the 17/18 Nov 1998 Leonid meteor shower with an airborne Fe lidar aboard the National Simulation Facility/National Center for Atmospheric Research (NSF/NCAR) Electra aircraft over Okinawa. The average altitude of the 18 trails from the high velocity (72 km/s) Leonid meteors, 95.67 +/- 0.93 km, is approximately 6.7 km higher than previously observed for slower (approx. 30 km/s) sporadic meteors. This height difference is consistent with the assumption that meteors ablate when the kinetic energy imparted to the atmosphere reaches a critical threshold. The average age of the Fe trails, determined by a diffusion model, is 10.1 min. The youngest ages were observed below 92 km and above 98 km where chemistry and diffusion dominate, respectively. The average abundance of the trails is ten percent of the abundance of the background Fe layer. Observations suggest that the 1998 Leonid shower did not have a significant impact on the abundance of the background Fe layer.

Chu, Xin-Zhao↗
NASA NTRS1972

A model for Jupiter's proton radiation belt

A model for electron and proton energy and density in Jupiter's radiation belt is proposed. It is assumed that electrons diffuse inward from the solar wind. The Davis and Chang diffusion model, in which there is a very steep L-shell dependence in density and energy, is scaled outwards from the peak of the belts at about 1.5 to 2 Jupiter radii to the magnetopause as defined by the magnetic moment. The energetic electron density is calculated to be one billionth of the density in the solar wind, and that is assumed to be the trapping ratio of Jupiter's synchrotron belts. It is further assumed that the same figures apply to protons. The flux density at 80 MHz was measured by the Culgoora ring to be identical to that at 3000 MHz, implying a constant flux density of the synchrotron source of over 20 or 30 to 1 in frequency. It is suggested that the synchrotron spectrum is flat over more than an order of magnitude of frequency. Jupiter is an enormous synchrotron source and has a strong magnetic field, causing long diffusion times for electrons in the magnetosphere.

Warwick, J.↗
DOE OSTI2022

High power density soft x-ray GaAs photodiodes with tailored spectral response

GaAs photodiode arrays have been designed for non-destructive monitoring of x-ray beam position in soft coherent beamline front ends in synchrotron light sources. A shallow p-on-n junction was employed to reduce the device photocurrent density to optimize the operation with beam power densities up to 20 W mm -2 , mainly coming from hard x-rays. With this approach, the photocurrent is primarily defined by the excess carriers generated by low-energy x-ray photons absorbed near the detector surface. The p–n junction structures were grown by molecular beam epitaxy and processed into 64-element linear photodiode arrays. The devices were characterized first in the visible range with a high-power Ar-ion laser and then tested in the soft and hard x-ray regions up to 10 keV at two beamlines of the National Synchrotron Light Source II. The responsivity was measured to be 0.16 A W -1 at 0.7 keV and 0.05 A W -1 at 6 keV in agreement with modeling. At higher x-ray energies the measured responsivity was lower than predicted in the framework of the carrier diffusion model; a possible explanation is discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Exhaust cloud rise and growth for Apollo Saturn engines.

Empirical and analytical results have been reduced from time-lapse photographs of exhaust clouds during the launch of Apollo 10, 14, 15, and 16 from the Kennedy Space Center. Theoretical predictions of the buoyant cloud rise and growth compare very favorably to actual measurements. The mathematical model predicts with engineering accuracy the terminal altitude and size of the clouds. A principal input to MSFC's multilayer diffusion model is top height of the exhaust cloud. It is this characteristic dimension that is the main subject of this report. An interesting occurrence during launch is the formation of bimodal exhaust cloud which is due to the north-south oriented flame trench directly beneath the base of the vehicle. This study has added considerable information on engine exhaust cloud rise and growth which is essential to the study of atmospheric dispersal in time and space.

Susko, M.↗
NASA NTRS1974

Boundary-layer analysis of subsonic inlet diffuser geometries for engines nacelles

Theoretical Mach number distributions and boundary-layer parameters are presented for subsonic nacelle inlet diffuser geometries with length to exit diameter ratios ranging from 0.4 to 1.6 and diffuser exit area to throat area ratios ranging from 1.1 to 2.0. The major portion of the study was done with a cubic diffuser contour with the inflection point at the midpoint of the diffuser, a diffuser throat Mach number of 0.6, and a free-stream Mach number of 0.12. Calculations were performed at both model (diffuser exit diameter, 30.5 cm) and full-scale (diffuser exit diameter, 183 cm) sizes. Separation limits were defined by establishing a separation boundary on plots of diffuser area ratio as a function of diffuser length to diameter ratio. The effects of diffuser contour, inlet lip geometry, and throat Mach number on the boundary-layer characteristics are illustrated. The major results of the study indicate that the separation boundary is shifted to greater area ratios by (1) increasing the diffuser length, (2) increasing the scale of the diffuser and, (3) moving the inflection point of the diffuser contour to or ahead of the midpoint of the diffuser.

Albers, J. A.↗
NASA NTRS1977

Spatial distribution of Compton-produced X-ray flux from rich and regular clusters of galaxies

The spatial distribution of radio and X-ray fluxes from rich and regular clusters of galaxies is discussed. A diffusion model is investigated in which high-energy electrons are ejected from a point source at the center of the cluster. While diffusing out, the electrons lose energy by Compton scattering with the universal blackbody photons, thus producing the X-ray emission. Traversing intracluster magnetic fields, the electrons emit synchrotron radio emission. For the Coma cluster of galaxies good agreement is found between the observed and predicted X-ray counting-rate distribution for the Compton model. From the observed radio data a value of about 3 by 10 to the -8th power gauss is deduced for the average magnetic-field strength in the central region of Coma.

Rephaeli, Y.↗
DOE OSTI2025

Integrating Ultra-Coarse-Grained Protein Models into Accessible Workflows for Multiscale Molecular Dynamics

To capture protein conformational transitions using molecular dynamics (MD), several simulation resolutions covering different spatial and temporal scales are typically needed. All-atom (AA) simulations provide fine resolution, but are computationally infeasible for large systems over longer durations. Coarse-grained (CG) and ultra-coarse-grained (UCG) models have a lower resolution and computational cost while still being able to conserve essential protein features. Prior work on a Multiscale Machinelearned Modeling Infrastructure (MuMMI) combined both AA and CG simulations to study RAS-RAF protein interactions, leveraging CG models for longer time scales and using AA to investigate unusual conformations in greater detail. However, MuMMI is still resource-intensive, and this study aims to maximize exploration of the protein conformational space while reducing computational cost. In this paper, we build on prior work that integrates UCG models based on heterogeneous elastic network modeling (hENM) into the MuMMI workflow. We demonstrate that UCG models enable accurate sampling of protein conformations, focusing on simulating RAS-RAF protein interactions. Using higher-resolution CG Martini simulation data, we can automatically refine intramolecular interactions in UCG models. We present a scalable Python package that uses fluctuations observed in higher-resolution CG Martini simulations to estimate bond coefficients of the UCG model. We built novel machine learning-based backmapping methods to recover more detailed CG Martini structures from UCG structures, using diffusion models to learn the mapping between scales. Finally, we present UCG-mini-MuMMI, an accessible and less compute-intensive version of MuMMI as a resource for the scientific community. Incorporating UCG models into MD studies is applicable to a broad range of systems and proteins, and our study offers insights into the advantages and limitations of these methods.

Chemical structure↗