SEARCH · Search NASA

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Modeling the Contribution of Precipitation Loss to a Radiation Belt Electron Dropout Observed by Van Allen Probes

A drift-diffusion model is used to simulate the low-altitude electron distribution, accounting for azimuthal drift, pitch angle diffusion, and atmospheric backscattering effects during a rapid electron dropout event on 21st August 2013, at L = 4.5. Additional external loss effects are introduced during times when the low-altitude electron distribution cannot be reproduced by diffusion alone. Here, the model utilizes low-altitude electron count rate data from five POES/MetOp satellites to quantify pitch angle diffusion rates. Low-altitude data provides critical constraint on the model because it includes the drift loss cone region where the electron distribution in longitude is highly dependent on the balance between azimuthal drift and pitch angle diffusion. Furthermore, a newly derived angular response function for the detectors onboard POES/MetOp is employed to accurately incorporate the bounce loss cone measurements, which have been previously contaminated by electrons from outside the nominal field-of-view. While constrained by low-altitude data, the model also shows reasonable agreement with high-altitude data. Pitch angle diffusion rates during the event are quantified and are faster at lower energies. Precipitation is determined to account for all of the total loss observed for 450 keV electrons, 88% for 600 keV and 38% for 900 keV. Predictions made in the MeV range are deemed unreliable as the integral energy channels E3 and P6 fail to provide the necessary constraint at relativistic energies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Fundamental Study on Sorption Behavior of Europium to Mica Flakes - 19116

It is well known that biotite exists with flake form in actual underground environment, dominating sorption of cationic radionuclides in a geological disposal system consisting of crystalline rock. The behavior of sorption of radionuclides will differ depending on the difference in shape, while most of the previous studies have used powder biotite. This study focused on the influence of flake structure of phyllosilicate minerals such as biotite on the diffusion and sorption processes of radionuclides, examining the sorption behaviors of Eu on biotite, phlogopite and muscovite in flake form. These flakes (5 mm x 6 mm) were prepared for the sorption experiments and the initial concentrations of the Eu ions were set to 1 mM. The sorption experiments were conducted by mixing 0.4 g of biotite flakes and 4 mL at pH 5 for 7 days. As a result, the sorption amount of Eu increased little by little with internal diffusion in all minerals, respectively. The diffusion process of Eu into the layer structure could be also observed by secondary ion-microprobe mass spectrometry (SIMS) analysis. The apparent diffusion coefficient of Eu into each flake was estimated by fitting a 2-D diffusion model to the sorption data. The estimated diffusion values were clearly smaller than that of matrix diffusion in granite. Hence it was suggested that the so-called Kd-model, which is a local equilibrium model, is not always applicable to the estimation of the retardation effect (i.e., migration rate) of radionuclides in rock matrix. In other words, the migration rate might depend also on the diffusion process of radionuclide in the inside of phyllosilicate minerals in addition of the macro diffusion process in rock matrix. Besides, sorption amount and diffusion coefficient of biotite, phlogopite and muscovite were largely different. Not only the tetrahedral structure adjacent to the potassium but also the octahedral structure might affect the restraint of the interlayer ion (K ions) and the sorption behavior. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

A two-phase model that unifies and extends the classical models of membrane transport

Two models describe solvent transport through swollen, nonporous membranes. The pore-flow model, based on fluid mechanics, works for porous membranes, whereas the solution-diffusion model invokes molecular diffusion to treat nonporous membranes. Both approaches make valid arguments for swollen polymer membranes, but they disagree in their predictions of intramembrane pressure and concentration profiles. Using a fluid-solid model that treats the solvent and membrane matrix as separate phases, we show both classical models to be valid, to represent complementary approaches to the same phenomenon, and to make identical predictions. The fluid-solid model clarifies recent reverse osmosis measurements; provides a predictive and mechanistic basis for empirical high-pressure limiting flux phenomena, in quantitative agreement with classic measurements; and gives a framework to treat nonporous but mechanically heterogeneous membrane materials.

Science & Technology - Other Topics↗

NASA NTRS1993

Pickup protons and water ions at Comet Halley - Comparisons with Giotto observations

The cometary ion pickup process along the sun-comet line at Comet Halley is investigated using a quasi-linear diffusion model including both pitch angle and energy diffusion, adiabatic compression, and convective motion with the solar wind flow. The model results are compared with energetic ion distributions observed by instruments on board the Giotto spacecraft. The observed power spectrum index of magnetic turbulence (gamma) is 2-2.5. The present simulation shows that when gamma was 2, the calculated proton distributions were much more isotropic than the observed ones. The numerical solutions of the quasi-linear diffusion equations show that the isotropization of the pickup ion distribution, particularly at the pickup velocity, is not complete even close to the bow shock. Given the observed turbulence level, quasi-linear theory yields pickup ion energy distributions that agree with the observed ones quite well and easily produces energetic ions with energies up to hundreds of keV.

Ye, G.↗

DOE OSTI2022

Combined Normal and Disruption, Electromagnetic Transient, Thermal, and Structural Analysis of COMPASS Upgrade

We report that COMPASS Upgrade is a replacement for the COMPASS device at the Institute of Plasma Physics (IPP) of the Czech Academy of Sciences. It is a cryogenic copper machine with a major radius of 0.89 m, with 5 T at the plasma centerline and 2-MA plasma current. It is intended to develop ITER relevant plasma densities and high power fluxes in the divertor region. The entire vacuum vessel is planned to reach 500 °C. The COMPASS-U TF coil is a bitter plate-like design with radial conductor plates that extend the width of the TF inner leg. Currents redistribute radially based on resistive and inductive effects. This necessitates an electromagnetic (EM) transient analysis of the coil current distribution. For copper coils like COMPASS Upgrade, the solution must be coupled with a thermal solution to properly include the temperature-dependent resistive effects. The EM transient solution includes the TF magnetic loads, and a stress pass on the results produces in-plane loads. The EM solution chosen requires inclusion of all the conducting and nonconducting regions surrounding the TF coil. With the TF current distribution solved, the addition of the poloidal coils and resulting background fields allows the determination of the out-of-plane loads. Integration of the Joule heating produced from the EM solution produces temperature distributions throughout the shot, which can be read in to a structural pass to include thermal stresses in the evaluation. This is true of both TF and PF temperature prediction with appropriate packing fractions. Currents in the PF coils, with computed background fields, produce Lorentz loads. Time transients of the PF currents produce startup eddy currents in the structures included in the model; inclusion of the vessel and other passive structures allows these to be included in a stress pass. The EM transient solution includes all the elements needed for a disruption analysis with prescribed motions and quench of the plasma. From a model originally intended to simulate current diffusion in the TF coil, the analysis can be refined to be used to predict the performance of most of the components of the tokamak or provide boundary conditions for more detailed submodels. In this article, the use of the current diffusion model for bounding assessments of the COMPASS Upgrade TF, PF, vessel, external structure, and disruption analyses will be presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1992

Diffusion mechanisms in chemical vapor-deposited iridium coated on chemical vapor-deposited rhenium

Radiation-cooled rocket thruster chambers have been developed which use CVD Re coated with CVD Ir on the interior surface that is exposed to hot combustion gases. The Ir serves as an oxidation barrier which protects the structural integrity-maintaining Re at elevated temperatures. The diffusion kinetics of CVD materials at elevated temperatures is presently studied with a view to the prediction and extension of these thrusters' performance limits. Line scans for Ir and Re were fit on the basis of a diffusion model, in order to extract relevant diffusion constants; the fastest diffusion process is grain-boundary diffusion, where Re diffuses down grain boundaries in the Ir overlayer.

Hamilton, J. C.↗

NASA NTRS2001

Reverse osmosis filtration for space mission wastewater: membrane properties and operating conditions

Reverse osmosis (RO) is a compact process that has potential for the removal of ionic and organic pollutants for recycling space mission wastewater. Seven candidate RO membranes were compared using a batch stirred cell to determine the membrane flux and the solute rejection for synthetic space mission wastewaters. Even though the urea molecule is larger than ions such as Na+, Cl-, and NH4+, the rejection of urea is lower. This indicates that the chemical interaction between solutes and the membrane is more important than the size exclusion effect. Low pressure reverse osmosis (LPRO) membranes appear to be most desirable because of their high permeate flux and rejection. Solute rejection is dependent on the shear rate, indicating the importance of concentration polarization. A simple transport model based on the solution-diffusion model incorporating concentration polarization is used to interpret the experimental results and predict rejection over a range of operating conditions. Grant numbers: NAG 9-1053.

Non-NASA Center↗

NASA NTRSDate not supplied

Effect of Plasma Sheaths on Earth Re-entry MHD Processes

The first study of the full coupling between the aerothermodynamics, the magnetohydrodynamics, and the plasma sheaths within earth entry flows is here per-formed. The problem tackled herein is representative of a force-generating MHD patch located between the plenum and the frustum of a capsule entering the earth’s atmosphere at Mach 34. The reactions are obtained from a modified 11-species Park chemical solver. The physical model fully couples the drift-diffusion model for the sheaths to the multispecies Navier-Stokes equations for the plasma flow. The Hall and ion slip effects are taken into consideration within the plasma flow and within the sheaths. Results obtained indicate that the cathode sheath can exert significant resistance to current flow and thus reduce the MHD-generated force by 40% or more. The effect of the sheath on the MHD force is found to be more pronounced at lower applied magnetic field.

Earth Re-entry↗

NASA NTRSDate not supplied

Effect of Plasma Sheaths on Earth Re-entry MHD Processes

The first study of the full coupling between the aerothermodynamics, the magnetohydrodynamics, and the plasma sheaths within earth entry flows is here per-formed. The problem tackled herein is representative of a force-generating MHD patch located between the plenum and the frustum of a capsule entering the earth’s atmosphere at Mach 34. The reactions are obtained from a modified 11-species Park chemical solver. The physical model fully couples the drift-diffusion model for the sheaths to the multispecies Navier-Stokes equations for the plasma flow. The Hall and ion slip effects are taken into consideration within the plasma flow and within the sheaths. The effect of the electrode material on the MHD process is studied. Using thoriated tungsten instead of graphite leads to a four-fold increase in the Lorentz forces and also leads to significantly reduced heat fluxes on the cathode. This is attributed to the much higher electrical conductivity of the thoriated tungsten sheath reducing by orders of magnitude the plasma electrical resistance near the surfaces.

Bernard Parent↗

DOE OSTI2025

IoT-based retrofit information diffusion in future smart communities

Community-scale building retrofits are not merely scaled-up versions of single-building retrofits. They involve complex challenges, such as reconciling individual interests with collective goals and managing the dynamic interplay between buildings through mechanisms like power grids and social connections. Internet of Things (IoT) connectivity holds the potential to leverage these interplays to balance individual and collective interests effectively in smart communities. One critical aspect of this interplay is information diffusion, which shapes how retrofit decisions spread among neighbors, influencing individual choices and ultimately impacting community-level retrofit outcomes. In other words, IoT-based smart devices automatically push tailored retrofit notifications to homeowners, which completely changes the format of information diffusion in the future. To investigate this influence by such information diffusion, the study used CityBES to simulate energy performance for different retrofits and applied an information diffusion model to analyze how decisions spread in a networked community of 192 buildings. The diffusion process was modeled on a weighted, directed network, capturing the dynamics of information flow and decision-making across 16 scenarios. Individual retrofit benefits were evaluated through payback years, while community-level retrofit outcomes were assessed using greenhouse gas (GHG) emission reductions. The results demonstrate that easier information diffusion among neighbors encourages households to prioritize retrofit measures that align with the majority’s optimal choices, even at the expense of individual financial benefits. In this case, such collective prioritization enhanced community-level retrofit performance, increasing GHG emission reductions by up to 29.4 %. However, this improvement came with trade-offs, as the average payback period for households extended by approximately 1.74 years. These findings highlight the potential of IoT-based information diffusion in future smart communities to coordinate individual interests with collective goals, ultimately accelerating community-level building retrofits.

Shu, Lei↗

NASA NTRS1973

The development and preliminary application of an invariant coupled diffusion and chemistry model

In many real-world pollution chemical reaction problems, the rate of reaction problems, the rate of reaction may be greatly affected by unmixedness. An approximate closure scheme for a chemical kinetic submodel which conforms to the principles of invariant modeling and which accounts for the effects of inhomogeneous mixing over a wide range of conditions has been developed. This submodel has been coupled successfully with invariant turbulence and diffusion models, permitting calculation of two-dimensional diffusion of two reacting (isothermally) chemical species. The initial calculations indicate the ozone reactions in the wake of stratospheric aircraft will be substantially affected by the rate of diffusion of ozone into the wake, and in the early wake, by unmixedness.

Hilst, G. R.↗

DOE OSTI2021

Using Computationally-Determined Properties for Machine Learning Prediction of Self-Diffusion Coefficients in Pure Liquids

The ability to predict transport properties of liquids quickly and accurately will greatly improve our understanding of fluid properties both in bulk and complex mixtures, as well as in confined environments. Such information could then be used in the design of materials and processes for applications ranging from energy production and storage to manufacturing processes. As a first step, we consider the use of machine learning (ML) methods to predict the diffusion properties of pure liquids. Recent results have shown that Artificial Neural Networks (ANNs) can effectively predict the diffusion of pure compounds based on the use of experimental properties as the model inputs. In the current study, a similar ANN approach is applied to modeling diffusion of pure liquids using fluid properties obtained exclusively from molecular simulations. A diverse set of 102 pure liquids is considered, ranging from small polar molecules (e.g., water) to large nonpolar molecules (e.g., octane). Self-diffusion coefficients were obtained from classical molecular dynamics (MD) simulations. Since nearly all the molecules are organic compounds, a general set of force field parameters for organic molecules was used. The MD methods are validated by comparing physical and thermodynamic properties with experiment. Computational input features for the ANN include physical properties obtained from the MD simulations as well as molecular properties from quantum calculations of individual molecules. Furthermore, fluid properties describing the local liquid structure were obtained from center of mass radial distribution functions (COM-RDFs). Feature sensitivity analysis revealed that isothermal compressibility, heat of vaporization, and the thermal expansion coefficient were the most impactful properties used as input for the ANN model to predict the MD simulated self-diffusion coefficients. The MD-based ANN successfully predicts the MD self-diffusion coefficients with only a subset (2 to 3) of the available computationally determined input features required. A separate ANN model was developed using literature experimental self-diffusion coefficients as model targets. Although this second ML model was not as successful due to a limited number of data points, a good correlation is still observed between experimental and ML predicted self-diffusion coefficients.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Nonequilibrium radiation and chemistry models for aerocapture vehicle flowfields

The primary accomplishments of the project were as follows: (1) From an overall standpoint, the primary accomplishment of this research was the development of a complete gasdynamic-radiatively coupled nonequilibrium viscous shock layer solution method for axisymmetric blunt bodies. This method can be used for rapid engineering modeling of nonequilibrium re-entry flowfields over a wide range of conditions. (2) Another significant accomplishment was the development of an air radiation model that included local thermodynamic nonequilibrium (LTNE) phenomena. (3) As part of this research, three electron-electronic energy models were developed. The first was a quasi-equilibrium electron (QEE) model which determined an effective free electron temperature and assumed that the electronic states were in equilibrium with the free electrons. The second was a quasi-equilibrium electron-electronic (QEEE) model which computed an effective electron-electronic temperature. The third model was a full electron-electronic (FEE) differential equation model which included convective, collisional, viscous, conductive, vibrational coupling, and chemical effects on electron-electronic energy. (4) Since vibration-dissociation coupling phenomena as well as vibrational thermal nonequilibrium phenomena are important in the nonequilibrium zone behind a shock front, a vibrational energy and vibration-dissociation coupling model was developed and included in the flowfield model. This model was a modified coupled vibrational dissociation vibrational (MCVDV) model and also included electron-vibrational coupling. (5) Another accomplishment of the project was the usage of the developed models to investigate radiative heating. (6) A multi-component diffusion model which properly models the multi-component nature of diffusion in complex gas mixtures such as air, was developed and incorporated into the blunt body model. (7) A model was developed to predict the magnitude and characteristics of the shock wave precursor ahead of vehicles entering the Earth's atmosphere. (8) Since considerable data exists for radiating nonequilibrium flow behind normal shock waves, a normal shock wave version of the blunt body code was developed. (9) By comparing predictions from the models and codes with available normal shock data and the flight data of Fire II, it is believed that the developed flowfield and nonequilibrium radiation models have been essentially validated for engineering applications.

Carlson, Leland A.↗

DOE OSTI2024

Measurement of atomic oxygen densities using TALIF on a dielectric barrier discharge: insights into the volume above a micro cavity plasma array

Dielectric barrier discharges, particularly micro cavity plasma arrays, offer significant potential for plasma-catalytic research due to their ability to ignite plasma in direct contact with a catalytic surface, enabling the observation of plasma-surface interactions. A key factor in their application is the generation of reactive species, such as atomic oxygen, within the cavities. These species can interact with both the surface (e.g. for activation or cleaning) and the gas being treated (e.g. for oxidation). Given the central role of oxygen atoms in plasma catalysis and their use as a model for more complex species, this work investigates the transport of these atoms out of the cavities. Two-photon absorption laser-induced fluorescence spectroscopy with picosecond laser excitation is performed in the volume above the cavities. The results are compared with a basic diffusion model. The reactor operates with a He/O 2 mixture at a flow rate of 1 slm and atmospheric pressure. Densities of up to 10 16 cm -3 are measured near the surface. Time-dependent measurements show that, at a distance of 350 µm from the surface, a density equilibrium is reached within less than 3 ms of reactor operation. Decay times due to ozone formation after the reactor is turned off are on a similar scale. Spatially resolved measurements show that the oxygen density decreases exponentially from the surface but remains detectable up to approximately 1 mm above the surface, indicating significant application potential. Variations in the O 2 admixture show a density maximum at 0.4%, confirming previous helium state enhanced actinometry measurements within the cavities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Chitosan Functionalization with Amino Acids Yields to Higher Copper Ions Adsorption Capacity

Chitosan (Chi) beads were conjugated with three different amino acids [namely, glutamic acid (GLU), methionine (MET), and taurine (TAU)] aiming to increase the divalent copper ions uptake in aqueous media. Scanning Electron Microscopy evidenced the development of a large porous structure after amino acid functionalization, associated with the increase in a number of amino groups in the polymer backbone. X-Ray Photoelectron Spectroscopy and Fourier-Transform Infrared Spectra analyses were also employed to assess the conjugation of these three different amino acids in chitosan backbone. Adsorption experiments were conducted in a batch process, at 298 K, and kinetic data indicated a slightly better fitting for the pseudo-first-order model when compared to pseudo-second order. Intraparticle diffusion model suggested a three-step mechanism for Cu(II) adsorption kinetics, limited by the third step, the intraparticle diffusion. The isotherm data fitting to the traditional Langmuir and Freundlich models indicated a better fit for the former case. The amino acid conjugation resulted in the increase of the maximum adsorption capacity for Cu(II) from 1.30 mmol g{sup −1} prior to amino acid conjugation to values as high as 2.31 mmol g{sup −1}, 2.40 mmol g{sup −1} and 2.68 mmol g{sup −1} for Chi–TAU, Chi–GLU, and Chi–MET, respectively. These results are attributed to the introduction of additional amino groups and new carboxylate and amino acid residues into the chitosan backbone, which might also be explored for amino acid demanding applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1976

Three-dimensional interplanetary stream magnetism and energetic particle motion

Cosmic rays interact with mesoscale configurations of the interplanetary magnetic field. A technique is presented for calculating such configurations in the inner solar system, which are due to streams and source conditions near the sun, and maps of magnetic field are constructed for some plausible stream and source conditions. One effect of these mesoscale configurations on galactic cosmic rays is shown to be an out-of-the-ecliptic gradient drift sufficient to explain Forbush decreases. The effects on solar energetic particles include small polar drifts due to the field gradients and a possibly large modification of the time-intensity profiles and anisotropy characteristics due to the formation of mirror configurations in space. If a diffusion model is applicable to solar particles, the true diffusion coefficient will be masked by the effects of streams. A conceptual model which incorporates these ideas and those of several other models is presented.

Barouch, E.↗

NASA NTRS1993

Time dependent simulation of cosmic-ray shocks including Alfven transport

Time evolution of plane, cosmic-ray modified shocks was simulated numerically for the case with parallel magnetic fields. Computations were done in a 'three-fluid' dynamical model incorporating cosmic-ray and Alfven wave energy transport equations. Nonlinear feedback from the cosmic-rays and Alfven waves is included in the equation of motion for the underlying plasma, as is the finite propagation speed and energy dissipation of the Alfven waves. Exploratory results confirm earlier, steady state analyses that found these Alfven transport effects to be potentially important when the upstream Alfven speed and gas sound speeds are comparable. As noted earlier Alfven transport effects tend to reduce the transfer of energy through a shock from gas to energetic particles. These studies show as well that the time scale for modification of the shock is altered in nonlinear ways. It is clear, however, that the consequences of Alfven transport are strongly model dependent and that both advection of cosmic-rays by the waves and dissipation of wave energy in the plasma will be important to model correctly when quantitative results are needed. Comparison is made between simulations based on a constant diffusion coefficient and more realistic diffusion models allowing the diffusion coefficient to vary in response to changes in Alfven wave intensity. No really substantive differences were found between them.

Jones, T. W.↗

NASA NTRS1994

Time-dependent simulation of cosmic-ray shocks, including Alfven transport

Time evolution of plane, cosmic-ray modified shocks has been simulated numerically for the case with parallel magnetic fields. Computations were done in a 'three-fluid' dynamical model incorporating cosmic-ray and Alfven-wave energy transport equations. Nonlinear feedback from the cosmic rays and Alfven waves is included in the equation of motion for the underlying plasma, as is the finite propagation speed and energy dissipation of the Alfven waves. Exploratory results confirm earlier, steady state analyses that found these Alfven transport effects to be potentially important when the upstream Alfven speed and gas sound speeds are comparable. As noted earlier, Alfven transport effects tend to reduce the transfer of energy through a shock from gas to energetic particles. These studies show as well that the timescale for modification of the shock is altered in nonlinear ways. It is clear, however, that the consequences of Alfven transport are strongly model dependent and that both advection of cosmic rays by the waves and dissipation of wave energy in the plasma will be important to model correctly when quantitative results are needed. Comparison is made between simulations based on a constant diffusion coefficient and more realistic diffusion models allowing the diffusion coefficient to vary in response to changes in Alfven wave intensity. No really substantive differences were found between them.

Jones, T. W.↗