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Results for “Diffusion model”

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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

Roughness effects on radiant heat transfer between interacting surfaces.

The radiative transfer between interacting plates with rough surfaces is analyzed on the basis of Beckman's (1963) rough-surface bidirectional reflectance model and, for comparison, on the basis of a direction-dependent specular reflection property model and an approximate rough surface model which assumes a diffuse distribution of the scattered energy. It is found that the overall heat transfer obtained with the Beckman model is only slightly (1.5%) less than that obtained with the direction-dependent specular reflection model. Furthermore, constant property specular reflection analysis gave results within 3% of the rough surface values. The region of uncertainty for the rough surface flux increases, however, as optical roughness increases.

Houchens, A. F.↗
NASA NTRS1988

Venus mesosphere and thermosphere. III - Three-dimensional general circulation with coupled dynamics and composition

The three-dimensional structure and circulation of Venus' upper mesosphere and thermosphere is examined by means of a modification of NCAR's earth thermosphere general circulation model, using the parameterizations from an earlier two-dimensional Venus model that included eddy diffusion and wave drag. Many of the observed Venus thermosphere features are found to be reproduced by the model, which thereby serves as a benchmark on which to incorporate additional minor constituents and test new self-consistent parameterizations for wave drag and superrotation.

Bougher, S. W.↗
NASA NTRS1990

Chemically reacting supersonic flow calculation using an assumed PDF model

This work is motivated by the need to develop accurate models for chemically reacting compressible turbulent flow fields that are present in a typical supersonic combustion ramjet (SCRAMJET) engine. In this paper the development of a new assumed probability density function (PDF) reaction model for supersonic turbulent diffusion flames and its implementation into an efficient Navier-Stokes solver are discussed. The application of this model to a supersonic hydrogen-air flame will be considered.

Farshchi, M.↗
NASA NTRS1971

Exhaust cloud rise and diffusion in the atmosphere

Analytical approach develops physical-mathematical model of rocket engine exhaust cloud rise, growth, and diffusion. Analytic derivations and resultant model apply to hot exhaust cloud study or industrial stack plumes, making work results applicable to air pollution. Model formulations apply to all exhaust cloud types and various atmospheric conditions.

Chandler, M. W.↗
NASA NTRS1994

L(alpha)-induced two-photon absorption of visible light emitted from an O-type star by H2(+) ions located near the surface of the Stromgren sphere surrounding the star: A possible explanation for the diffuse interstellar absorption bands (DIDs)

In this paper, a new model is proposed to account for the DIB's (Diffuse Interstellar Bands). In this model, the DIB's result from a non-linear effect: resonantly-enhanced two-photon absorption of H(2+) ions located near the surface of the Stromgren sphere that surrounds an O- or B- type star. The strong light that is required to 'drive' the two-photon transition is provided by L(alpha) light emerging from the Stromgren sphere that bounds the H II region surrounding the star. A value of approximately 100 micro W/sq cm is estimated for the L(alpha) flux at the Stromgren radius, R(s), of a strong (O5) star. It is shown that a c.w. L(alpha) flux of this intensity should be sufficient to induce a few percent absorption for visible light radiated by the same star at a frequency (omega2) that completes an allowed two-photon transition, provided (1) the L(alpha) radiation happens to be nearly resonant with the frequency of a fully-allowed absorber transition that effectively represents the first step in the two-photon transition, and (2) an effective column density approximately 10(sup18)/sq cm of the absorber is present near the Stromgren sphere radius, R(sub s).

Glownia, James H.↗
NASA NTRS1973

Dynamics of moisture diffusion through a partially liquid filled porous matrix.

Models for unsteady water transport in fuel cell configurations of Bacon-Pratt and Whitney type are derived. Tests with a specially constructed isothermal cell producing no water and order of magnitude analysis show that diffusion through the liquid alone cannot account for the observed behavior. An analytical solution which includes diffusion in both the liquid and the gas spaces of the matrix is in better agreement with the data than models which consider diffusion in either the liquid or in the gas phase alone.

Murty, B. G. K.↗
NASA NTRS2000

Photochemistry Saturn's Atmosphere: Effects of an Influx of External Oxygen - 2

We use a one-dimensional diurnally averaged model of photochemistry and diffusion in Saturn's stratosphere to investigate the influence of extraplanetary debris on atmospheric chemistry. In particular, we consider the effects of an influx of oxygen from micrometeoroid ablation or from ring-particle diffusion; the contribution from cometary impacts, satellite debris, or ring vapor is deemed to be less important. The photochemical model results are compared directly with Infrared Space Observatory (ISO) observations to constrain the influx of extraplanetary oxygen to Saturn. From the ISO observations, we determine that the column densities of CO2 and H2O above 10 mbar in Saturn's atmosphere are (6.3 +/- 1) x 10(exp 14) and (1.4 +/- 0.4) x 10(exp 15)/ square cm, respectively; our models indicate that a globally averaged oxygen influx of (4+/-2) x 10(exp 6) O atoms /sq cm/s is required to explain these observations. Models with a locally enhanced influx of H20 operating over a small fraction of the projected area do not provide as good a fit to the ISO H2O observations. If volatile oxygen compounds comprise one-third to one-half of the exogenic source by mass, then Saturn is currently being bombarded with (3 +/- 2) x 10(exp -16) g/square cm/s of extraplanetary material. To reproduce the observed CO2/H2O ratio in Saturn's stratosphere, some of the exogenic oxygen must arrive in the form of a carbon-oxygen bonded species such as CO or CO2. An influx consistent with the composition of cometary ices fails to reproduce the high observed CO2/H2O ratio, suggesting that (i) the material has ices that are slightly more carbon-rich than is typical for comets, (ii) a contribution from an organic-rich component is required, or (iii) some of the hydrogen-oxygen bonded material is converted to carbon-oxygen bonded material without photochemistry (e.g., during the ablation process). We have also reanalyzed the 5-micron CO observations of Noll and Larson and determine that the CO lines are most sensitive to the 100- to 400-mbar column density for which we derive a range of (0.7-1.5) x 10(exp 17)/square cm; the CO observations do not allow us to distinguish between an external or internal source of CO on Saturn. If we assume that all the extraplanetary oxygen derives from a micrometeoroid source, then the unfocused dust flux at 9.5 AU must be (i) (1 +/- 0.7) x 10(exp -16) g/square cm/s if interstellar grains are the source of the external oxygen on Saturn, (ii) (4 +/- 3) x 10 (exp -17) g/ sq. cm./s if IDPs on randomly inclined, highly eccentric orbits (e.g., Halley-type comet grains) are the source of the external oxygen, or (iii) (2+/- 1.4) x 10(exp -18)/g/sq cm/s if IDPs on low inclination, low eccentricity orbits (e.g., Kuiper-belt grains) are the source of the external oxygen. These estimates can be used in combination with future Cassini dust detection data to determine the ultimate source of the dust at Saturn's distance from the Sun.

Moses, Julianne I.↗
NASA NTRS1995

Detailed modeling analysis for soot formation and radiation in microgravity gas jet diffusion flames

Radiation heat transfer in combustion systems has been receiving increasing interest. In the case of hydrocarbon fuels, a significant portion of the radiation comes from soot particles, justifying the need for detailed soot formation model and radiation transfer calculations. For laminar gas jet diffusion flames, results from this project (4/1/91 8/22/95) and another NASA study show that flame shape, soot concentration, and radiation heat fluxes are substantially different under microgravity conditions. Our emphasis is on including detailed soot transport models and a detailed solution for radiation heat transfer, and on coupling them with the flame structure calculations. In this paper, we will discuss the following three specific areas: (1) Comparing two existing soot formation models, and identifying possible improvements; (2) A simple yet reasonably accurate approach to calculating total radiative properties and/or fluxes over the spectral range; and (3) Investigating the convergence of iterations between the flame structure solver and the radiation heat transfer solver.

Ku, Jerry C.↗
NASA NTRS1988

Multiple-encounter shock-drift acceleration in nearly perpendicular shocks

A model in which low-energy ions are accelerated by a nearly perpendicular MHD shock without upstream turbulence is presented. In the present scheme, vigorous particle cross-field scattering by downstream turbulence competes with the convection downstream, sending particles back to the shock front for acceleration. Some fraction of the low-energy ions are accelerated up to maximal energy prior to escaping upstream to possibly undergo diffusion shock acceleration. The model can explain particle injection of the diffusive shock acceleration along with ion acceleration during solar flares.

Chiueh, Tzihong↗
DOE OSTI2023

Explicit solvent machine-learned coarse-grained model of sodium polystyrene sulfonate to capture polymer structure and dynamics

In this article, strongly charged polyelectrolytes (PEs) demonstrate complex solution behavior as a function of chain length, concentrations, and ionic strength. The viscosity behavior is important to understand and is a core quantity for many applications, but aspects remain a challenge. Molecular dynamics simulations using implicit solvent coarse-grained (CG) models successfully reproduce structure, but are often inappropriate for calculating viscosities. To address the need for CG models which reproduce viscoelastic properties of one of the most studied PEs, sodium polystyrene sulfonate (NaPSS), we report our recent efforts in using Bayesian optimization to develop CG models of NaPSS which capture both polymer structure and dynamics in aqueous solutions with explicit solvent. We demonstrate that our explicit solvent CG NaPSS model with the ML-BOP water model [Chan et al. Nat Commun 10, 379 (2019)] quantitatively reproduces NaPSS chain statistics and solution structure. The new explicit solvent CG model is benchmarked against diffusivities from atomistic simulations and experimental specific viscosities for short chains. We also show that our Bayesian-optimized CG model is transferable to larger chain lengths across a range of concentrations. Overall, this work provides a machine-learned model to probe the structural, dynamic, and rheological properties of polyelectrolytes such as NaPSS and aids in the design of novel, strongly charged polymers with tunable structural and viscoelastic properties

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1988

Radiation transfer in plant canopies - Scattering of solar radiation and canopy reflectance

The one-dimensional vertical model of radiation transfer in a plant canopy described by Verstraete (1987) is extended to account for the transfer of diffuse radiation. This improved model computes the absorption and scattering of both visible and near-infrared radiation in a multilayer canopy as a function of solar position and leaf orientation distribution. Multiple scattering is allowed, and the spectral reflectance of the vegetation stand is predicted. The results of the model are compared to those of other models and actual observations.

Verstraete, Michel M.↗
NASA NTRS2001

New Interstellar Dust Models Consistent with Interstellar Extinction, Emission and Abundances Constraints

We present new interstellar dust models that are consistent with both, the FUV to near-IR extinction and infrared (IR) emission measurements from the diffuse interstellar medium. The models are characterized by different dust compositions and abundances. The problem we solve consists of determining the size distribution of the various dust components of the model. This problem is a typical ill-posed inversion problem which we solve using the regularization approach. We reproduce the Li Draine (2001, ApJ, 554, 778) results, however their model requires an excessive amount of interstellar silicon (48 ppM of hydrogen compared to the 36 ppM available for an ISM of solar composition) to be locked up in dust. We found that dust models consisting of PAHs, amorphous silicate, graphite, and composite grains made up from silicates, organic refractory, and water ice, provide an improved fit to the extinction and IR emission measurements, while still requiring a subsolar amount of silicon to be in the dust. This research was supported by NASA Astrophysical Theory Program NRA 99-OSS-01.

Zubko, V.↗
DOE OSTI2022

Modeling Chemo-Mechanics with Electrolyte Infiltration to Quantify Degradation of Cathode Particles

One of the main goals in modeling lithium-ion batteries is to improve/predict longevity and resilience of new chemistries. To that end, this talk investigates the formation of stress-induced fracture within polycrystalline cathode particles and the impact on capacity loss. Physically based cathode aging dynamics is simulated in a 3D, continuum-level chemo-mechanical model. The model captures anisotropic Li diffusion within a single polycrystalline particle comprised of hundreds to thousands of randomly oriented grains. A recent addition to this model includes electrolyte infiltration, which occurs when the electrolyte seeps into surface cracks within the particle. The model predicts that particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. Essentially, when neighboring grains are misaligned, they expand a different rates relative to one another leading to high stresses and ultimately the formation of intraparticle cracks. The model predicts that small particles with large grains develop significantly less damage than larger particles with small grains. Finally, the model predicts most of the chemo-mechanical damage accumulates in the first charge after formation. This chemo-mechanical "damage saturation" effect indicates that initial particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced. The principle contribution of this research is the use of an anisotropic chemo-mechanical model to test how particle geometry affect capacity fade, which predicts that particle size has a stronger effect on capacity fade than grain size and ultimately that small particles with large grains have the least capacity fade.

cathode↗
DOE OSTI2019

Investigation of goodness of model data fit using PLSR and PCR regression models to determine informative wavelength band in NIR region for non-invasive blood glucose prediction

Diabetes mellitus is a metabolic disorder characterized by the deficiency in insulin secretion or insulin action on target tissues. Diabetes being diagnosed, requires frequent monitoring. Current measurement techniques are invasive in nature, which is painful. Non-invasive measurement methods for the prediction of blood glucose is a big challenge. Hence this paper focuses on a comparative study to analyze the performance of the two regression models: partial least square regression (PLSR) and principal component regression (PCR) models to arrive at the best regression model for the prediction of blood glucose non-invasively based on NIR diffuse reflectance spectroscopy. The regression model developed involves spectral data collected from 32 subjects from a diabetic center using diffuse reflectance spectrometer (DRS). The spectroscopic data were acquired from the subjects both invasively using clinical method and non-invasively using DRS setup in the NIR spectral range whose wavelength ranges from 750 to 1040 nm. Multivariate analysis using PLSR is found to be a better regression model in terms of the fitted response and estimated mean square prediction error. It is observed that the mean square error value is 0.04 mg/dl for the tenth component in the PLSR model. The developed regression model also proves to be a useful tool in identifying the informative wavelength bands for blood glucose measurement.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Geospatial Diffusion for Land Cover Imperviousness Change Forecasting

Land-use and land-cover (LULC) has a significant effect on several Earth system processes. For example, impervious surfaces reduce infiltration and speed water flow, impacting regional hydrology and flood risk. While Earth System models have improved forecasting hydrologic and atmospheric processes at higher resolutions, the ability to forecast LULC change has lagged behind. In this paper, we propose a new paradigm exploiting Generative AI (GenAI) for land cover change forecasting by framing it as a data synthesis problem conditioned on historical and auxiliary data-sources. To demonstrate the feasibility of our methodology, we perform experiments where a diffusion model is trained for decadal forecasting of imperviousness change across the entire United States. We find that our model yields MAE lower than a no-change baseline for resolutions ≥ 0.7 X 0.7km2 on average, demonstrating its ability to capture and project accurate spatiotemporal patterns. Finally, we discuss future research to incorporate Earth's physical properties and enabling scenario simulations via driver variables.

Varshney, Debvrat [ORNL] (ORCID:0000000188981736)↗
DOE OSTI2024

Subsurface Redox Interactions Regulate Ebullitive Methane Flux in Heterogeneous Mississippi River Deltaic Wetland

Abstract As interfaces connecting terrestrial and ocean ecosystems, coastal wetlands develop temporally and spatially complex redox conditions, which drive uncertainties in greenhouse gas emission as well as the total carbon budget of the coastal ecosystem. To evaluate the role of complex redox reactions in methane emission from coastal wetlands, a coupled reactive‐transport model was configured to represent subsurface biogeochemical cycles of carbon, nitrogen, and sulfur, along with production and transport of multiple gas species through diffusion and ebullition. This model study was conducted at multiple sites along a salinity gradient in the Barataria Basin at the Mississippi River Deltaic Plain. Over a freshwater to saline gradient, simulated total flux of methane was primarily controlled by its subsurface production and consumption, which were determined by redox reactions directly (e.g., methanogenesis, methanotrophy) and indirectly (e.g., competition with sulfate reduction) under aerobic and/or anaerobic conditions. At fine spatiotemporal scales, surface methane fluxes were also strongly dependent on transport processes, with episodic ebullitive fluxes leading to higher spatial and temporal variability compared to the gradient‐driven diffusion flux. Ebullitive methane fluxes were determined by methane fraction in total ebullitive gas and the frequency of ebullitive events, both of which varied with subsurface methane concentrations and other gas species. Although ebullition thresholds are constrained by local physical factors, this study indicates that redox interactions not only determine gas composition in ebullitive fluxes but can also regulate ebullition frequency through gas production.

03 NATURAL GAS↗
NASA NTRS2000

Photochemistry of Saturn's Atmosphere: Hydrocarbon Chemistry and Comparisons with ISO Observations - 1

To investigate the details of hydrocarbon photochemistry on Saturn, we have developed a one-dimensional diurnally averaged model that couples hydrocarbon and oxygen photochemistry, molecular and eddy diffusion, radiative transfer, and condensation. The model results are compared with observations from the Infrared Space Observatory (ISO) to place tighter constraints on molecular abundances, to better define Saturn's eddy diffusion coefficient profile, and to identify important chemical schemes that control the abundances of the observable hydrocarbons in Saturn's upper atmosphere. From the ISO observations, we determine that the column 12 densities of CH3, CH3C2H, and C4H2 above 10 mbar are 4 (sup +2) (sub -1.5) x 10 (exp 13) cm (sup -2), (1.1 plus or minus 0.3) x 10 (exp 15) cm (exp -2), and (1.2 plus or minus 0.3) x 10 (exp 14) cm (sup -2), respectively. The observed ISO emission features also indicate C2H2 mixing ratios of 1.2 (sup +0.9) (sub -0.6) x 10 (exp -6) at 0.3 mbar and (2.7 plus or minus 0.8) x 10 (exp -7) at 1.4 mbar, and a C2H6 mixing ratio of (9 plus or minus 2.5) x 10 (exp -6) at 0.5 mbar. Upper limits are provided for C2H4, CH2CCH2, C3H8, and C6H2 sensitivity of the model results to variations in the eddy diffusion coefficient profile, the solar flux, the CH4 photolysis branching ratios, the atomic hydrogen influx, and key reaction rates are discussed in detail. We find that C4H2 and CH3C2H are particularly good tracers of important chemical processes and physical conditions in Saturn's upper atmosphere, and C2H6 is a good tracer of the eddy diffusion coefficient in Saturn's lower stratosphere. The eddy diffusion coefficient must be smaller than approximately 3 x 10 (exp 4) sq cm s (sup -1) at pressures greater than 1 mbar in order to reproduce the C2H6 abundance inferred from ISO observations. The eddy diffusion coefficients in the upper stratosphere could be constrained by observations of CH3 radicals if the low-temperature chemistry of CH3 were better understood. We also discuss the implications of our modeling for aerosol formation in Saturn's lower stratosphere-diacetylene, butane, and water condense between approximately 1 and 300 mbar in our model and will dominate stratospheric haze formation at nonauroral latitudes. Our photochemical models will be useful for planning observational sequences and for analyzing data from the upcoming Cassini mission.

Moses, Julianne I.↗