Search NASA⌕ Search

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.

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

At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Tools for Assessing Performance Project: FY2021 Quarter 4 Report

The rotatable building located at Texas Tech’s Reese Technology Center is approximately 14 m wide (width being defined as more normal to the wind than parallel), 9 m long (aligned more with the wind than perpendicular), and 4 m tall. By placing 29 sonic anemometers downwind of the building, see Fig. 1, this facility provided a chance to collect data concerning both the wake velocity deficit distribution in the downstream and crosssteam directions (relative to the mean wind) behind an isolated building. A preliminary comparison between this data and the recently- developed fast-running diffusive wake model, which was developed based on wind tunnel and LES (performed with JOULES) simulations, for the purpose of either validating this model of understanding potential persistent differences between the idealized wind tunnel or LES conditions and those of full-scale real world phenomena. For this preliminary exploration, we utilized the diffusive wake model implemented in the QUIC model.

42 ENGINEERING↗
DOE OSTI2022

Tritium Transport Modeling at the Pore Scale in Ceramic Breeder Materials Using TMAP8

Fusion reactors depend on the blanket material to breed and release tritium at the same rate or faster than it is consumed by the fusion reaction. Cellular ceramic breeders (CCBs) are dense materials that can maintain a high tritium breeding ratio while promoting tritium release because of highly connected pores. Assessing the tritium breeding capabilities of these materials requires a combination of extensive experimental and modeling efforts. In this work, we develop and calibrate a multiphysics model of tritium transport. This novel model accounts for ceramic and pore diffusion, trapping and detrapping, and several surface reactions at the pore surface. We perform a sensitivity analysis and calibrate the model by comparing its predictions against experimental measurements of deuterium absorption. The calibrated model is then used to model tritium absorption in samples with different pore microstructures to investigate the effect of pore interconnectivity on tritium absorption. The model is part of the development of the multiscale, multiphysics framework for tritium transport [i.e., the Tritium Migration Analysis Program (TMAP8)], which is itself built on top of the finite-element multiphysics framework multiphysics object-oriented simulation environment (MOOSE). This study demonstrates some of TMAP8’s capabilities and is the first step toward assessing the tritium breeding capabilities of ceramic breeder material designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Ion radial diffusion in an electrostatic impulse model for stormtime ring current formation

Two refinements to the quasi-linear theory of ion radial diffusion are proposed and examined analytically with simulations of particle trajectories. The resonance-broadening correction by Dungey (1965) is applied to the quasi-linear diffusion theory by Faelthammar (1965) for an individual model storm. Quasi-linear theory is then applied to the mean diffusion coefficients resulting from simulations of particle trajectories in 20 model storms. The correction for drift-resonance broadening results in quasi-linear diffusion coefficients with discrepancies from the corresponding simulated values that are reduced by a factor of about 3. Further reductions in the discrepancies are noted following the averaging of the quasi-linear diffusion coefficients, the simulated coefficients, and the resonance-broadened coefficients for the 20 storms. Quasi-linear theory provides good descriptions of particle transport for a single storm but performs even better in conjunction with the present ensemble-averaging.

Chen, Margaret W.↗
DOE OSTI2020

Analysis of multi-electron, multi-step homogeneous catalysis by rotating disc electrode voltammetry: theory, application, and obstacles

Rotating disc electrode (RDE) voltammetry has been widely adopted for the study of heterogenized molecular electrocatalysts for multi-step fuel-forming reactions but this tool has never been comprehensively applied to their homogeneous analogues. Here, the utility and limitations of RDE techniques for mechanistic and kinetic analysis of homogeneous molecular catalysts that mediate multi-electron, multi-substrate redox transformations are explored. Using the ECEC' reaction mechanism as a case study, two theoretical models are derived based on the Nernst diffusion layer model and the Hale transformation. Current–potential curves generated by these computational strategies are compared under a variety of limiting conditions to identify conditions under which the more minimalist Nernst Diffusion Layer approach can be applied. Based on this theoretical treatment, strategies for extracting kinetic information from the plateau current and the foot of the catalytic wave are derived. RDEV is applied to a cobaloxime hydrogen evolution reaction (HER) catalyst under non-aqueous conditions in order to experimentally validate this theoretical framework and explore the feasibility of RDE as a tool for studying homogeneous catalysts. Importantly, analysis of the foot-of-the-wave via this theoretical framework provides rate constants for elementary reaction steps that agree with those extracted from stationary voltammetric methods, supporting the application of RDE to study homogeneous fuel-forming catalysts. Lastly, obstacles encountered during the kinetic analysis of cobaloxime, along with the voltammetric signatures used to diagnose this reactivity, are discussed with the goal of guiding groups working to improve RDE set-ups and help researchers avoid misinterpretation of RDE data.

08 HYDROGEN↗
NASA NTRS1994

Role of pressure diffusion in non-homogeneous shear flows

A non-local model is presented for approximating the pressure diffusion in calculations of turbulent free shear and boundary layer flows. It is based on the solution of an elliptic relaxation equation which enables local diffusion sources to be distributed over lengths of the order of the integral scale. The pressure diffusion model was implemented in a boundary layer code within the framework of turbulence models based on both the kappa-epsilon-(bar)upsilon(exp 2) system of equations and the full Reynolds stress equations. Model computations were performed for mixing layers and boundary layer flows. In each case, the pressure diffusion model enabled the well-known free-stream edge singularity problem to be eliminated. There was little effect on near-wall properties. Computed results agreed very well with experimental and DNS data for the mean flow velocity, the turbulent kinetic energy, and the skin-friction coefficient.

Demuren, A. O.↗
NASA NTRS1987

Characterization and modelling of open tube diffused n+p bulk InP solar cells

The authors describe the photovoltaic characteristics of an n+p junction solar cell fabricated on bulk InP by an open-tube-diffusion technique. Analysis of the forward characteristics shows that the forward current is dominated by recombination in the quasineutral regions, indicating that the fabrication technique produces a clean junction. Spectral response measurements are analyzed and more realistic boundary conditions are used to model the solar cell to determine important material and device parameters.

Bothra, S.↗
DOE OSTI2025

Adaptive Interface-PINNs (AdaI-PINNs) for transient diffusion: Applications to forward and inverse problems in heterogeneous media

We model transient diffusion in heterogeneous materials using a novel physics-informed neural networks framework (PINNs) termed Adaptive interface physics-informed neural networks or AdaI-PINNs (Roy et al. arXiv preprint arXiv:2406.04626, 2024). AdaI-PINNs utilize different activation functions with trainable slopes tailored to each material region within the computational domain, allowing for a fully automated and adaptive PINNs approach to model interface problems with strongly and weakly discontinuous solutions. To enhance its performance in highly heterogeneous transient diffusion systems, we prescribe a suite of robust practices, including appropriate non-dimensionalization of equations, a biased sampling method, Glorot initialization, and the hard enforcement of boundary and initial conditions. Here we evaluate the efficacy of the proposed method on several benchmark forward and inverse problems. Comparative studies on one-dimensional and two-dimensional benchmark problems reveal that the modified AdaI-PINNs outperform its unmodified counterpart, achieving root-mean-square errors that are at least two orders of magnitude better in forward problems. For inverse problems, the maximum errors in the approximated diffusion coefficients by modified AdaI-PINNs are four orders of magnitude better than those of the unmodified version. Additionally, modified AdaI-PINNs demonstrate improved stability in problems with large material mismatches.

42 ENGINEERING↗
NASA NTRS1994

On the Influence of a Fuel Side Heat-Loss (Soot) Layer on a Planar Diffusion Flame

A model of the response of a diffusion flame (DF) to an adjacent heat loss or 'soot' layer on the fuel side is investigated. The thermal influence of the 'soot' or heat-loss layer on the DF occurs through the enthalpy sink it creates. A sink distribution in mixture-fraction space is employed to examine possible DF extinction. It is found that (1) the enthalpy sink (or soot layer) must touch the DF for radiation-induced quenching to occur; and (2) for fuel-rich conditions extinction is possible only for a progressively narrower range of values ot the characteristic heat-loss parameter, N(sub R)(Delta Z(sub R)) Various interpretations ot the model are discussed. An attempt is made to place this work into the context created by previous experimental and computational studies.

Wichman, Indrek S.↗
DOE OSTI2026

Estimation of Fission Product Transport Parameters for Cesium in the AGR-3/4 TRISO Fuel Experiment

A one-dimensional (1D) finite-element model of fission product transport in the AGR-3/4 experiment has been developed using the Multiphysics Object Oriented Simulation Environment (MOOSE) framework and implemented in the fuel performance code, BISON. The model resolves capsule-specific geometries, materials, and temperature histories and simulates radial migration of fission products from the fuel compact through the inner ring, outer ring, and into the sink ring. Model parameters governing diffusion and sorption were estimated for key fission products – cesium (Cs), and europium (Eu) – by simultaneously fitting modeled isotopic concentration profiles and total ring inventories to a post-irradiation experimental measurement. These data include gamma scanning, liquid scintillation for Sr-90, radial deconsolidation leach-burn-leach analysis, tomographic reconstructions, and destructive physical sampling. A mortar-based interfacial sorption framework was implemented to enforce physically consistent mass transfer and flux conservation across gas gaps. Two classes of parameter sets were derived: a least-squares best-fit, and a safety-oriented conservative-fit, what applies strong penalties for underprediction of sink inventories. Across all twelve capsules, the model successfully reproduces the dominant radial transport trends for Cs, Sr, with decreasing concentrations from the compact outward through successive rings. Cs behavior is captured most consistently, while strontium predictions reveal systematic trade-offs between compact accuracy and conservative sink-ring bounding. The results demonstrate that sink ring weighted calibration provides conservative, safety relevant bounds on low temperature fission product transport, but at the cost of underpredicting compact inventories for Sr isotopes. These discrepancies highlight the need for additional physics, including fast-slow diffusion model, incorporating trapping mechanism in the transport behavior. Overall, this work establishes a robust, capsule-specific modeling framework for AGR-3/4 fission product transport and provides a defensible basis for parameter selection in source-term and fuel performance analyses for high temperature gas-cooled reactors.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1998

3-D Modeling of Double-Diffusive Convection During Directional Solidification of a Non-Dilute Alloy with Application to the HgCdTe Growth Under Microgravity Conditions

A numerical calculation for a non-dilute alloy solidification was performed using the FIDAP finite element code. For low growth velocities plane front solidification occurs. The location and the shape of the interface was determined using melting temperatures from the HgCdTe liquidus curve. The low thermal conductivity of the solid HgCdTe causes thermal short circuit through the ampoule walls, resulting in curved isotherms in the vicinity of the interface. Double-diffusive convection in the melt is caused by radial temperature gradients and by material density inversion with temperature. Cooling from below and the rejection at the solid-melt interface of the heavier HgTe-rich solute each tend to reduce convection. Because of these complicating factors dimensional rather then non-dimensional modeling was performed. Estimates of convection contributions for various gravity conditions was performed parametrically. For gravity levels higher then 1 0 -7 of earth's gravity it was found that the maximum convection velocity is extremely sensitive to gravity vector orientation and can be reduced at least by factor of 50% for precise orientation of the ampoule in the microgravity environment. The predicted interface shape is in agreement with one obtained experimentally by quenching. The results of 3-D modeling are compared with previous 2-D finding. A video film featuring melt convection will be presented.

Bune, Andris V.↗
DOE OSTI2019

Rate constants in spatially inhomogeneous systems

Here, we introduce a theory and accompanying importance sampling method for computing rate constants in spatially inhomogeneous systems. Using the relationship between rate constants and path space partition functions, we illustrate that the relative change in the rate of a rare event through space is isomorphic to the calculation of a free energy difference, albeit in a trajectory ensemble. Like equilibrium free energies, relative rate constants can be estimated by importance sampling. An extension to transition path sampling is proposed that combines biased path ensembles and weighted histogram analysis to accomplish this estimate. We demonstrate that rate constants can also be decomposed into different contributions, including relative changes in stability, barrier height, and flux. This decomposition provides a means of interpretation and insight into rare processes in complex environments. We confirm these ideas with a simple model of diffusion with spatially varying diffusivity and illustrate their utility in a model of ion pair dissociation near an electrochemical interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Explaining persistent incomplete mixing in multicomponent reactive transport with Eulerian stochastic model

We present an Eulerian stochastic advection–diffusion–reaction (SADR) model and use it to explain incomplete mixing typically observed in transport experiments with bimolecular reactions. Unlike traditional advection– dispersion–reaction (ADR) models, the SADR model describes mechanical and diffusive mixing as two separate processes. In the SADR model, mechanical mixing is driven by random advective velocity whose variance is given by the coefficient of mechanical dispersion. The diffusive mixing is modeled as a Fickian diffusion process with the effective diffusion coefficient. We demonstrate that the sum of the two coefficients is equal to the dispersion coefficient, but only the effective diffusion coefficient contributes to the mixing-controlled reactions. We use experimental results of Gramling et al. * * to show that for transport and bimolecular reactions in porous media, the SADR model is significantly more accurate than the ADR model, which overestimates the concentration of the reaction product by as much as 60%. We also show that the SADR model predicts an experimentally observed bell- shaped spatial distribution of the reactive product concentration, while the ADR model results in a concentration distribution with an unphysical kink.

Bimolecular reactions, incomplete mixing, Stochast↗
DOE OSTI2024

Mercury’s Chaotic Secular Evolution as a Subdiffusive Process

Abstract Mercury’s orbit can destabilize, generally resulting in a collision with either Venus or the Sun. Chaotic evolution can causeg 1 to decrease to the approximately constant value ofg 5 and create a resonance. Previous work has approximated the variation ing 1 as stochastic diffusion, which leads to a phenomological model that can reproduce the Mercury instability statistics of secular andN-body models on timescales longer than 10 Gyr. Here we show that the diffusive model significantly underpredicts the Mercury instability probability on timescales less than 5 Gyr, the remaining lifespan of the solar system. This is becauseg 1 exhibits larger variations on short timescales than the diffusive model would suggest. To better model the variations on short timescales, we build a new subdiffusive phenomological model forg 1 . Subdiffusion is similar to diffusion but exhibits larger displacements on short timescales and smaller displacements on long timescales. We choose model parameters based on the behavior of theg 1 trajectories in theN-body simulations, leading to a tuned model that can reproduce Mercury instability statistics from 1–40 Gyr. This work motivates fundamental questions in solar system dynamics: why does subdiffusion better approximate the variation ing 1 than standard diffusion? Why is there an upper bound ong 1 , but not a lower bound that would prevent it from reachingg 5 ?

Astronomy & Astrophysics↗
NASA NTRS2018

Sedimentation Efficiency of Condensation Clouds in Substellar Atmospheres

Condensation clouds in substellar atmospheres have been widely inferred from spectra and photometric variability. Up until now, their horizontally averaged vertical distribution and mean particle size have been largely characterized using models, one of which is the eddy diffusion-sedimentation model from Ackerman and Marley that relies on a sedimentation efficiency parameter, f(sub sed), to determine the vertical extent of clouds in the atmosphere. However, the physical processes controlling the vertical structure of clouds in substellar atmospheres are not well understood. In this work, we derive trends in f(sub sed) across a large range of eddy diffusivities (K (sub zz) ), gravities, material properties, and cloud formation pathways by fitting cloud distributions calculated by a more detailed cloud microphysics model. We find that f(sub sed) is dependent on K (sub zz), but not gravity, when K (sub zz) is held constant. f(sub sed) is most sensitive to the nucleation rate of cloud particles, as determined by material properties like surface energy and molecular weight. High surface energy materials form fewer, larger cloud particles, leading to large f(sub sed) (>1), and vice versa for materials with low surface energy. For cloud formation via heterogeneous nucleation, f(sub sed) is sensitive to the condensation nuclei flux and radius, connecting cloud formation in substellar atmospheres to the objects' formation environments and other atmospheric aerosols. These insights could lead to improved cloud models that help us better understand substellar atmospheres. For example, we demonstrate that f(sub sed) could increase with increasing cloud base depth in an atmosphere, shedding light on the nature of the brown dwarf L/T transition.

brown dwarfs; planets and satellites: atmospheres↗
NASA NTRS2000

Postural control model interpretation of stabilogram diffusion analysis

Collins and De Luca [Collins JJ. De Luca CJ (1993) Exp Brain Res 95: 308-318] introduced a new method known as stabilogram diffusion analysis that provides a quantitative statistical measure of the apparently random variations of center-of-pressure (COP) trajectories recorded during quiet upright stance in humans. This analysis generates a stabilogram diffusion function (SDF) that summarizes the mean square COP displacement as a function of the time interval between COP comparisons. SDFs have a characteristic two-part form that suggests the presence of two different control regimes: a short-term open-loop control behavior and a longer-term closed-loop behavior. This paper demonstrates that a very simple closed-loop control model of upright stance can generate realistic SDFs. The model consists of an inverted pendulum body with torque applied at the ankle joint. This torque includes a random disturbance torque and a control torque. The control torque is a function of the deviation (error signal) between the desired upright body position and the actual body position, and is generated in proportion to the error signal, the derivative of the error signal, and the integral of the error signal [i.e. a proportional, integral and derivative (PID) neural controller]. The control torque is applied with a time delay representing conduction, processing, and muscle activation delays. Variations in the PID parameters and the time delay generate variations in SDFs that mimic real experimental SDFs. This model analysis allows one to interpret experimentally observed changes in SDFs in terms of variations in neural controller and time delay parameters rather than in terms of open-loop versus closed-loop behavior.

NASA Program Biomedical Research and Countermeasur↗
NASA NTRS2019

Modeling transmittance of MODIS solar diffuser stability monitor sun view screen

Earlier work by Sun et al. [2005] modeled the Sun view screen transmittance of the solar diffuser stability monitor (SDSM) on Moderate Resolution Imaging Spectroradiometer (MODIS) which explains the oscillatory pattern in the Terra/Aqua MODIS SDSM Sun view response collected during the post-launch yaw maneuvers. The SDSM screen consists of small size pinholes which limit the screen transmittance. The SDSM Sun view transmittance pattern is affected by the size and distribution of pinholes, screen thickness, and orientation between the aperture stop and the Sun view screen. Planning of post-launch yaw maneuver test often requires comprehensive angular coverage to resolve the angular variation of the screen transmittance. This paper developed a Gauss-Kronrod quadrature method-based model to simulate the SDSM Sun view transmittance. This method performs iterative integration of the interception area between pinhole and aperture stop which is critical in the screen transmittance calculation. Parametric dependences of the MODIS SDSM Sun view transmittance on various geometric factors such as the pinhole size or spacing and misalignment between the SDSM Sun view screen and aperture stop are studied. The implications for the post-launch yaw maneuver planning to resolve the angular variation of the SDSM Sun view transmittance due to the SDSM Sun view screen misalignment are discussed.

MODIS↗
NASA NTRS1996

Diffusion, Viscosity and Crystal Growth in Microgravity

The diffusivity of TriGlycine Sulfate (TGS), Potassium Dihydrogen Phosphate (KDP), Ammonium Dihydrogen Phosphate (ADF) and other compounds of interest to microgravity crystal growth, in supersaturated solutions as a function of solution concentration, 'age' and 'history was studied experimentally. The factors that affect the growth of crystals from water solutions in microgravity have been examined. Three non-linear optical materials have been studied, potassium dihydrogen phosphate (KDP), ammonium dihydrogen phosphate (ADP) and triglycine sulfate (TGC). The diffusion coefficient and viscosity of supersaturated water solutions were measured. Also theoretical model of diffusivity and viscosity in a metastable state, model of crystal growth from solution including non-linear time dependent diffusivity and viscosity effect and computer simulation of the crystal growth process which allows simulation of the microgravity crystal growth were developed.

Myerson, Allan S.↗