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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

A two component model of the diurnal variations in the thermospheric composition

A self-consistent, two-dimensional, two-component diffusion model is presented to describe the diurnal component of thermosphere dynamics. In the regions where oxygen and helium are the minor constituents, diffusion is shown to increase the amplitudes of these constituents and to advance the times of their diurnal maxima by several hours with respect to the gas temperature and the major species. Both effects are in basic agreement with satellite observations. The diffusion process is relatively insignificant for temperature, total mass density, and wind fields. The magnitude of the temperature-density phase delay is discussed with respect to its dependence on the electron density distribution.

Mayr, H. G.↗
NASA NTRS1962

Performance Evaluation of Fixed- and Variable-Area Rocket Exhaust Diffusers Using Single and Clustered Nozzles with and Without Gimbaling

An investigation of exhaust diffusers used for altitude simulation in testing rocket engines was conducted with model diffusers and gaseous nitrogen as the working fluid. This investigation was conducted to eval­uate the effects on performance of gimbaling clustered nozzles in a single fixed-area exhaust diffuser. A two-nozzle cluster was gimbaled in all attitudes in four different exhaust-diffuser configurations: (1) a straight circular tube, (2) a straight figure-eight tube, (3) a circular tube with a second throat, and (4) a figure-eight tube with a second throat. Gimbaling clustered nozzles had little effect on the operating pressure ratio for either straight-tube or second-throat diffusers, but caused a large increase in the starting-pressure-ratio requirements in some straight-tube exhaust diffusers. The performance of two or four clustered nozzles with no gimbaling was compared with single-nozzle per­formance on the basis of the ratio of diffuser area to nozzle-throat area. The performance was found to be dependent on the diffuser- to nozzle-throat-area ratio and independent of both the number of primary nozzles and the nozzle-area ratio. A separate investigation was also conducted to evaluate the per­formance improvement obtainable with a variable-area exhaust diffuser. This type of diffuser achieved a 26-percent reduction in starting pressure ratio, a 40-percent reduction in operating pressure ratio, and a 50-percent reduction in the overall diffuser length over the values attainable with a fixed-area second-throat diffuser.

ROCKET↗
NASA NTRS1976

A simulation of water pollution model parameter estimation

A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

Kibler, J. F.↗
NASA NTRS1988

Cosmic-ray lifetime in the Galaxy - Experimental results and models

The separation of the cosmic-ray Be isotopes achieved by two satellite experiments is discussed. From the measured isotopic ratio between the radioactive Be-10 (half-life = 1,500,000 years) and the stable Be-9, it is deduced that the cosmic rays propagate through matter with an average density of 0.24 = or - 0.07 atoms/ cu cm. The implications of this result for the cosmic-ray age is reviewed in the context of two models of confinement and propagation: the homogeneous model, normally identified with confinement ot the galactic gaseous disk, and a diffusion model in which the cosmic rays extend into a galactic halo. A newly deduced cosmic-ray pathlength distribution, a self-consistent model of solar modulation, and a set of fragmentation cross sections are calculated. It is concluded that in a homogeneous model, the cosmic-ray age is 15 (+7, -4) million years, about a factor longer than early estimates based on the abundances of the light nuclei Li, Be, and B and a nominal interstellar density of 1 atom/ cu cm.

Simpson, J. A.↗
NASA NTRS1990

Convection links biomass burning to increased tropical ozone - However, models will tend to overpredict O3

Biomass burning throughout the inhabited portions of the tropics generates precursors which lead to significant local atmospheric ozone pollution. Several simulations show how this smog could be only an easily observed, local manifestation of a much broader increase in tropospheric ozone. The basic processes are illustrated with a one-dimensional time-dependent model that is closer to true meteorological motions than commonly used eddy diffusion models. Its application to a representative region of South America gives reasonable simulations of the local pollutants measured there. Three illustrative simulations indicate the importance of dilution, principally due to vertical transport, in increasing the efficiency of ozone production, possibly enough for high ozone to be apparent on a very large, intercontinental scale.

Chatfield, Robert B.↗
NASA NTRS2000

Efficient Multi-Dimensional Simulation of Quantum Confinement Effects in Advanced MOS Devices

We investigate the density-gradient (DG) transport model for efficient multi-dimensional simulation of quantum confinement effects in advanced MOS devices. The formulation of the DG model is described as a quantum correction to the classical drift-diffusion model. Quantum confinement effects are shown to be significant in sub-100nm MOSFETs. In thin-oxide MOS capacitors, quantum effects may reduce gate capacitance by 25% or more. As a result, the inclusion or quantum effects in simulations dramatically improves the match between C-V simulations and measurements for oxide thickness down to 2 nm. Significant quantum corrections also occur in the I-V characteristics of short-channel (30 to 100 nm) n-MOSFETs, with current drive reduced by up to 70%. This effect is shown to result from reduced inversion charge due to quantum confinement of electrons in the channel. Also, subthreshold slope is degraded by 15 to 20 mV/decade with the inclusion of quantum effects via the density-gradient model, and short channel effects (in particular, drain-induced barrier lowering) are noticeably increased.

Biegel, Bryan A.↗
NASA NTRS2000

Efficient Multi-Dimensional Simulation of Quantum Confinement Effects in Advanced MOS Devices

We investigate the density-gradient (DG) transport model for efficient multi-dimensional simulation of quantum confinement effects in advanced MOS devices. The formulation of the DG model is described as a quantum correction ot the classical drift-diffusion model. Quantum confinement effects are shown to be significant in sub-100nm MOSFETs. In thin-oxide MOS capacitors, quantum effects may reduce gate capacitance by 25% or more. As a result, the inclusion of quantum effects may reduce gate capacitance by 25% or more. As a result, the inclusion of quantum effects in simulations dramatically improves the match between C-V simulations and measurements for oxide thickness down to 2 nm. Significant quantum corrections also occur in the I-V characteristics of short-channel (30 to 100 nm) n-MOSFETs, with current drive reduced by up to 70%. This effect is shown to result from reduced inversion charge due to quantum confinement of electrons in the channel. Also, subthreshold slope is degraded by 15 to 20 mV/decade with the inclusion of quantum effects via the density-gradient model, and short channel effects (in particular, drain-induced barrier lowering) are noticeably increased.

Biegel, Bryan A.↗
NASA NTRS2006

Hybrid MD-Nernst Planck Model of Alpha-hemolysin Conductance Properties

Motivated by experiments in which an applied electric field translocates polynucleotides through an alpha-hemolysin protein channel causing ionic current transient blockade, a hybrid simulation model is proposed to predict the conductance properties of the open channel. Time scales corresponding to ion permeation processes are reached using the Poisson-Nemst-Planck (PNP) electro-diffusion model in which both solvent and local ion concentrations are represented as a continuum. The diffusion coefficients of the ions (K(+) and Cl(-)) input in the PNP model are, however, calculated from all-atom molecular dynamics (MD). In the MD simulations, a reduced representation of the channel is used. The channel is solvated in a 1 M KCI solution, and an external electric field is applied. The pore specific diffusion coefficients for both ionic species are reduced 5-7 times in comparison to bulk values. Significant statistical variations (17-45%) of the pore-ions diffusivities are observed. Within the statistics, the ionic diffusivities remain invariable for a range of external applied voltages between 30 and 240mV. In the 2D-PNP calculations, the pore stem is approximated by a smooth cylinder of radius approx. 9A with two constriction blocks where the radius is reduced to approx. 6A. The electrostatic potential includes the contribution from the atomistic charges. The MD-PNP model shows that the atomic charges are responsible for the rectifying behaviour and for the slight anion selectivity of the a-hemolysin pore. Independent of the hierarchy between the anion and cation diffusivities, the anionic contribution to the total ionic current will dominate. The predictions of the MD-PNP model are in good agreement with experimental data and give confidence in the present approach of bridging time scales by combining a microscopic and macroscopic model.

Cozmuta, Ioana↗
DOE OSTI2025

Consistent solutions of the radiation diffusion equation in spherical and cylindrical geometries

We have extended the radiation diffusion model of Hammer and Rosen [Phys. Plasmas 10, 1829 (2003)] to diverging spherical and cylindrical geometries. The effect of curvilinear geometry on the supersonic, expanding wavefront increases as the internal radius of a spherical or cylindrical shell approaches zero. Small spherical geometries are important for modeling systems at the size scale of inertial confinement fusion capsules, at these scales existing quasi-analytic models for planar geometry significantly disagree with the results of simulation. With this method, the benefits of rapid iteration can be applied to common spherical systems at much smaller length scales. We present comparisons between numerical diffusion solutions and the analytic model to give ranges of applicability for the model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Robustness of the Ensemble Score Filter to the Type of Assimilated Observation Networks

Recent advances in data assimilation (DA) have focused on developing more flexible approaches that can better accommodate nonlinearities in models and observations. However, it remains unclear how the performance of these advanced methods depends on the observation network characteristics. In this study, we present initial experiments with the surface quasi‐geostrophic model, in which we compare a recently developed ensemble filter using score‐based diffusion models with the standard Local Ensemble Transform Kalman Filter (LETKF). Our results show that the analysis solutions respond differently to the number, spatial distribution, and nonlinear fraction of assimilated observations. We also find notable changes in the multiscale characteristics of the analysis errors. Given that standard DA techniques will eventually be replaced by more advanced methods, we hope this study sets the ground for future efforts to reassess the value of Earth observing systems in the context of newly emerging algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Plasma-gas interactions studies in a hybrid plume plasma rocket

Plasma-gas interaction was investigated and the basic mechanisms for energy and particle transport. The solution approach assumes cylindrical geometry and includes a multiplicity of atomic reactions, and the presence of a strong magnetic field is described. The principal reactions are electron and ion impact ionization, and charge exchange between hot ions and cold neutrals. Radial particle and energy transport is mainly by diffusion. A modified Bohm diffusion model for plasma in the core of the plume, and classical neutral particle diffusion in the cooler regions of the flow are presented. Neutrals are allowed to free stream in the low density regions, where the collision mean-free-path becomes comparable, or even larger than the characteristic dimensions of the system.

Chang, F. R.↗
NASA NTRS1992

Time-dependent cosmic ray shocks with injection - A progress report

The study presents preliminary results of a two-fluid hydrodynamical simulation of cosmic-ray-modified shock structure by extending the steady-state calculations of Zank et al. (1991) to the time-dependent case. The present simulations model diffusive shock acceleration of the energetic particle component at planar shocks. A new model for the injection of cosmic ray particles is presented. The quadratic artificial viscosity algorithm is found to be numerically unstable and therefore unusable for strong cosmic ray shocks. There is visible ringing and overshoot in the various profiles. A large enhancement in the fluid density appears downstream of the subshock. This 'overcompression' results from the upstream fluid being compressed in the precursor, then traversing a strong shock with compression ratio near the adiabatic limit of four.

Donohue, D. J.↗
NASA NTRS1973

On empirical models of the upper atmosphere in the polar regions.

The expression for the exospheric temperature in Jacchia's static diffusion models of the upper atmosphere has a discontinuous gradient at the poles. Therefore it cannot describe the true state of the upper atmosphere in the polar regions. Furthermore, it cannot be used to calculate quantities that depend on the derivative of the exospheric temperature, or the density, like pressure gradients, horizontal forces or horizontal heat fluxes. A modified expression for the exospheric temperature is suggested. This modification yields variables of state of the upper atmosphere that deviate little from Jacchia's values, but it has continuous gradient at the poles and is therefore more suitable for treating dynamical problems like the global wind pattern.

Blum, P. W.↗
NASA NTRS1988

A comprehensive model of ion diffusion and charge exchange in the cold Io torus

A comprehensive analytic model of radial diffusion in the cold Io torus is developed. The model involves a generalized molecular cloud theory of SO2 and its dissociation fragments SO, O2, S, and O, which are formed at a relatively large rate by solar UV photodissociation of SO2. The key component of the new theory is SO, which can react with S(+) through a near-resonant charge exchange process that is exothermic. This provides a mechanism for the rapid depletion of singly ionized sulfur in the cold torus and can account for the large decrease in the total flux tube content inward of Io's orbit. The model is used to demonstrate quantitatively the effects of radial diffusion in a charge exchange environment that acts as a combined source and sink for ions in various charge states. A detailed quantitative explanation for the O(2+) component of the cold torus is given, and insight is derived into the workings of the so-called plasma 'ribbon'.

Barbosa, D. D.↗
NASA NTRS1998

Long Term Degradation of Polyimide Composites

The durability of polymer matrix composites exposed to harsh environments is a major concern. Surface degradation and damage are observed in polyimide composites used in air at 125-300 C. It is believed that diffusion of oxygen into the material and oxidative chemical reactions are responsible. Previous work has characterized and modeled diffusion behavior, and thermogravimetric analyses (TGAS) have been carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. However, the model developed using these data did not successfully extrapolate TGA data down to conditions seen in service. A test program that focuses on lower temperatures and makes use of isothermal tests was undertaken to achieve a better understanding of the degradation reactions under use conditions. A new, low-cost technique was developed to collect chemical degradation data for isothermal tests lasting over 200 hours in the temperature range 125-300 C. Results indicate complex behavior not captured by the previous model, including the presence of weight-adding reactions. Weight gain reactions dominated in the 125-225 C temperature range, while weight loss reactions dominated beyond 225 C. The data obtained from isothermal tests and earlier TGAs is used to develop an advanced model of the material behavior.

Patekar, Kaustubh A.↗
NASA NTRS1980

Cross-field transport of less than 1 MeV protons in energetic particle events

A systematic analysis of hourly averaged low-energy anisotropy data (0.3-0.5 MeV) has been carried out with the JHU/APL detectors onboard the IMP-7 and 8 spacecraft from 1972-1975. The energetic particle events were divided into two major groups: flare-associated or nonimpulsive. Resolving the anistropy vectors into components parallel and perpendicular to the measured magnetic field leads directly to the following model-independent conclusions: (1) the average perpendicular anisotropy component is entirely accounted for in terms of the ExB drift, and hence transverse diffusion is negligible at these energies; application of the diffusion model to the nonimpulsive data set implies a ratio of the diffusion mean free paths parallel and perpendicular to the magnetic field much less than 0.051; (2) the parallel anisotropy component averages nearly to zero in the nonimpulsive data set, indicating virtually no net streaming along the field at 1 AU, averaged over all events.

Zwickl, R. D.↗