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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Modeling the impact of radiation-enhanced diffusion on implanted ion profiles

We report that ion irradiations are a valuable research tool for exploring radiation effects in materials. However, it is well recognized that the implanted ions can artificially modify the radiation damage evolution, e.g., enhancing amorphization processes at low irradiation temperatures and suppressing void swelling at elevated temperatures. Therefore, the implanted ion region should be avoided for most studies of ion irradiated materials. Due to increased interest in high damage, high temperature ion irradiations studying radiation effects in materials for proposed high dose Generation IV fission and fusion energy applications, it is crucial to quantify the extent of diffusional broadening of the implanted ion profile for a variety of temperatures, irradiation fluxes, and sink strengths. The present study summarizes computational analyses of thermal and depth-dependent radiation enhanced difusion (RED) on diffusion broadening of the implanted ion profiles in Fe and Ni for a variety of irradiation conditions. For a low assumed RED coefficient (10 -20 -10 -19 m 2 /s and 10 -4 and 10 -3 peak dpa/s, respectively) or high flux, broadening of the as-implanted ion profile is very small and a suitable artifact-free midrange region for analysis exists for ion energies above 5-6 MeV at 100 peak dpa. At high RED coefficients (10 -19 -10 -18 m 2 /s and 10 -4 and 10 -3 peak dpa/s, respectively) broadening is much more significant, and no valid region for investigation exists below 6-8 MeV ion energies at any damage level >50 dpa. While increasing flux decreases irradiation time, it also increases the RED coefficient; these effects mostly offset except under recombination-dominant conditions. For typical high dose irradiation studies of void swelling that exceed ~100 displacement per atom (dpa), ion energies > 6-8 MeV must be employed in order to achieve suitable artifact-free midrange irradiation analysis regions, depending on the material system. Lastly, analysis of amorphization/precipitation require even higher energies (>10 MeV).

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2017

Diffusion in random networks

The ensemble averaging technique is applied to model mass transport by diffusion in random networks. The system consists of an ensemble of random networks, where each network is made of pockets connected by tortuous channels. Inside a channel, fluid transport is assumed to be governed by the one-dimensional diffusion equation. Mass balance leads to an integro-differential equation for the pocket mass density. The so-called dual-porosity model is found to be equivalent to the leading order approximation of the integration kernel when the diffusion time scale inside the channels is small compared to the macroscopic time scale. As a test problem, we consider the one-dimensional mass diffusion in a semi-infinite domain. Because of the required time to establish the linear concentration profile inside a channel, for early times the similarity variable is xt $-$1/4 rather than xt $-$1/2 as in the traditional theory. We found this early time similarity can be explained by random walk theory through the network.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Matrix Diffusion in Fractured Media: New Insights Into Power Law Scaling of Breakthrough Curves

Here, we develop a theoretical model for power law tailing behavior of transport in fractured rock based on the relative dominance of the decay rate of the advective travel time distribution, modeled using a Pareto distribution (with tail decaying as ~ time -(1+α) ), versus matrix diffusion, modeled using a Lévy distribution. The theory predicts that when the advective travel time distribution decays sufficiently slowly (α<1), the late-time decay rate of the breakthrough curve is -(1+α/2) rather than the classical -3/2. Yet, if α>1, the -3/2 decay rate is recovered. For weak matrix diffusion or short advective first breakthrough times, we identify an early-time regime where the breakthrough curve follows the Pareto distribution, before transitioning to the late-time decay rate. The theoretical predictions are validated against particle tracking simulations in the three-dimensional discrete fracture network simulator dfnWorks, where matrix diffusion is incorporated using a time domain random walk.

58 GEOSCIENCES↗
DOE OSTI2016

A GENERALIZED TWO-COMPONENT MODEL OF SOLAR WIND TURBULENCE AND AB INITIO DIFFUSION MEAN-FREE PATHS AND DRIFT LENGTHSCALES OF COSMIC RAYS

We extend a two-component model for the evolution of fluctuations in the solar wind plasma so that it is fully three-dimensional (3D) and also coupled self-consistently to the large-scale magnetohydrodynamic equations describing the background solar wind. The two classes of fluctuations considered are a high-frequency parallel-propagating wave-like piece and a low-frequency quasi-two-dimensional component. For both components, the nonlinear dynamics is dominanted by quasi-perpendicular spectral cascades of energy. Driving of the fluctuations by, for example, velocity shear and pickup ions is included. Numerical solutions to the new model are obtained using the Cronos framework, and validated against previous simpler models. Comparing results from the new model with spacecraft measurements, we find improved agreement relative to earlier models that employ prescribed background solar wind fields. Finally, the new results for the wave-like and quasi-two-dimensional fluctuations are used to calculate ab initio diffusion mean-free paths and drift lengthscales for the transport of cosmic rays in the turbulent solar wind.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Construction and Modeling of a Coculture Microplate for Real-Time Measurement of Microbial Interactions

The dynamic structures of microbial communities emerge from the complex network of interactions between their constituent microorganisms. Quantitative measurements of these interactions are important for understanding and engineering ecosystem structure. Here, we present the development and application of the BioMe plate, a redesigned microplate device in which pairs of wells are separated by porous membranes. BioMe facilitates the measurement of dynamic microbial interactions and integrates easily with standard laboratory equipment. We first applied BioMe to recapitulate recently characterized, natural symbiotic interactions between bacteria isolated from the Drosophila melanogaster gut microbiome. Specifically, the BioMe plate allowed us to observe the benefit provided by two Lactobacillus strains to an Acetobacter strain. We next explored the use of BioMe to gain quantitative insight into the engineered obligate syntrophic interaction between a pair of Escherichia coli amino acid auxotrophs. We integrated experimental observations with a mechanistic computational model to quantify key parameters associated with this syntrophic interaction, including metabolite secretion and diffusion rates. This model also allowed us to explain the slow growth observed for auxotrophs growing in adjacent wells by demonstrating that, under the relevant range of parameters, local exchange between auxotrophs is essential for efficient growth. The BioMe plate provides a scalable and flexible approach for the study of dynamic microbial interactions.

3D printed device↗
DOE OSTI2016

HARD X-RAY EMISSIONS FROM CASSIOPEIA A OBSERVED BY INTEGRAL

Cassiopeia A (Cas A), as the nearby young remnant of a core-collapse supernova, is the best candidate for astrophysical studies in supernova explosion and its environment. We studied the hard X-ray emission from Cas A using the 10 year data of INTEGRAL observations, and first detected non-thermal continuum emission from the source up to 220 keV. The {sup 44}Ti line emission at 68 and 78 keV is confirmed by our observations with a mean flux of ∼(2.2 ± 0.4) × 10{sup 5} ph cm{sup 2} s{sup 1}, corresponding to a {sup 44}Ti yield in Cas A of (1.3 ± 0.4) × 10{sup 4} M {sub ⊙}. The continuum emission from 3 to 500 keV can be fit with a thermal bremsstrahlung of kT ∼ 0.79 ± 0.08 keV plus a power-law model of Γ ∼ 3.13 ± 0.03. The non-thermal emission from Cas A is well fit by a power-law model without a cutoff up to 220 keV. This radiation characteristic is inconsistent with diffusive shock acceleration models with a remnant shock velocity of only 5000 km s{sup 1}. The central compact object in Cas A cannot significantly contribute to the emission above 80 keV. Some possible physical origins of the non-thermal emission above 80 keV from the remnant shock are discussed. We deduce that the asymmetrical supernova explosion scenario of Cas A is a promising scenario for the production of high-energy synchrotron radiation photons, where a portion of the ejecta with a velocity of ∼0.1 c and opening angle of ∼10° can account for the 100 keV emission, as is consistent with the “jet” observed in Cas A.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1988

Morphological evolution of growing crystals - A Monte Carlo simulation

The combined effects of nutrient diffusion and surface kinetics on the crystal morphology were investigated using a Monte Carlo model to simulate the evolving morphology of a crystal growing from a two-component gaseous nutrient phase. The model combines nutrient diffusion, based on a modified diffusion-limited aggregation process, with anisotropic surface-attachment kinetics and surface diffusion. A variety of conditions, ranging from kinetic-controlled to diffusion-controlled growth, were examined. Successive transitions from compact faceted (dominant surface kinetics) to open dendritic morphologies (dominant volume diffusion) were obtained.

Xiao, Rong-Fu↗
NASA NTRS2016

Development of the Model of Galactic Interstellar Emission for Standard Point-Source Analysis of Fermi Large Area Telescope Data

Most of the celestial gamma rays detected by the Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope originate from the interstellar medium when energetic cosmic rays interact with interstellar nucleons and photons. Conventional point-source and extended-source studies rely on the modeling of this diffuse emission for accurate characterization. Here, we describe the development of the Galactic Interstellar Emission Model (GIEM),which is the standard adopted by the LAT Collaboration and is publicly available. This model is based on a linear combination of maps for interstellar gas column density in Galactocentric annuli and for the inverse-Compton emission produced in the Galaxy. In the GIEM, we also include large-scale structures like Loop I and the Fermi bubbles. The measured gas emissivity spectra confirm that the cosmic-ray proton density decreases with Galactocentric distance beyond 5 kpc from the Galactic Center. The measurements also suggest a softening of the proton spectrum with Galactocentric distance. We observe that the Fermi bubbles have boundaries with a shape similar to a catenary at latitudes below 20deg and we observe an enhanced emission toward their base extending in the north and south Galactic directions and located within approximately 4deg of the Galactic Center.

gamma rays: diffuse background – gamma rays: gen↗
DOE OSTI2018

Superresolution Diffuse Optical Imaging by Localization of Fluorescence

The multiple scattering of light presents major challenges in realizing useful in vivo imaging at tissue depths of more than about one millimeter, where many answers to health questions lie. Visible through near-infrared photons can be readily and safely detected through centimeters of tissue; however, limited information is available for image formation. One strategy for obtaining images is to model the photon transport and a simple incoherent model is the diffusion equation approximation to the Boltzmann transport equation. Such an approach provides a prediction of the mean intensity of heavily scattered light and hence provides a forward model for optimization-based computational imaging. While diffuse optical imaging methods have received substantial attention, they remain restricted in terms of resolution because of the loss of high-spatial-frequency information that is associated with the multiple scattering of photons. Consequently, only relatively large inhomogeneities, such as tumors or organs in small animals, can be effectively resolved. We introduce a superresolution imaging approach based on point localization in a diffusion framework that enables over two orders of magnitude improvement in the spatial resolution of diffuse optical imaging. The method is demonstrated experimentally by localizing a fluorescent inhomogeneity in a highly scattering slab and characterizing the localization uncertainty. The approach allows imaging through centimeters of tissue with a resolution of tens of microns, thereby enabling cells or cell clusters to be resolved. More generally, this high-resolution imaging approach could be applied with any physical transport or wave model and hence to a broad class of physical problems. Finally, paired with a suitable optical contrast mechanism, as can be realized with targeted fluorescent molecules or genetically modified animals, superresolution diffuse imaging should open alternative dimensions for in vivo applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Experiment and analysis of directional effects on radiant heat transfer.

Critical examination of the validity of the commonly used simplified models for predicting local and overall radiant heat interchange among real surfaces. The spectral local irradiation was measured at wavelengths of 3.08 and 4.51 microns in a configuration consisting of three plane parallel surfaces of finite extent. The test surfaces were gold with mechanical roughness and temperature varying from 0.02 to 7.1 microns and 77 to 760 K, respectively. Comparisons between experimental data and predictions for six different models ranging from the simple diffuse to the most detailed diffuse-plus-specular-directional-property model with specular component calculated according to Beckmann are presented. It is shown that the calculation of the overall irradiation using appropriate constant-property models agrees well with the experimental data to within combined experimental and analytical uncertainty. In general, it is concluded that for accurate prediction of local irradiation the directional characteristics of the surfaces must be considered.

Toor, J. S.↗
DOE OSTI2017

SkyFACT: high-dimensional modeling of gamma-ray emission with adaptive templates and penalized likelihoods

We present SkyFACT (Sky Factorization with Adaptive Constrained Templates), a new approach for studying, modeling and decomposing diffuse gamma-ray emission. Like most previous analyses, the approach relies on predictions from cosmic-ray propagation codes like GALPROP and DRAGON. However, in contrast to previous approaches, we account for the fact that models are not perfect and allow for a very large number (∼> 10{sup 5}) of nuisance parameters to parameterize these imperfections. We combine methods of image reconstruction and adaptive spatio-spectral template regression in one coherent hybrid approach. To this end, we use penalized Poisson likelihood regression, with regularization functions that are motivated by the maximum entropy method. We introduce methods to efficiently handle the high dimensionality of the convex optimization problem as well as the associated semi-sparse covariance matrix, using the L-BFGS-B algorithm and Cholesky factorization. We test the method both on synthetic data as well as on gamma-ray emission from the inner Galaxy, |ℓ|<90{sup o} and | b |<20{sup o}, as observed by the Fermi Large Area Telescope. We finally define a simple reference model that removes most of the residual emission from the inner Galaxy, based on conventional diffuse emission components as well as components for the Fermi bubbles, the Fermi Galactic center excess, and extended sources along the Galactic disk. Variants of this reference model can serve as basis for future studies of diffuse emission in and outside the Galactic disk.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1996

Hydrocarbon photochemistry in the upper atmosphere of Jupiter

The hydrocarbon photochemistry in the upper atmosphere of Jupiter is investigated using a one-dimensional, photochemical-diffusive, and diurnally averaged model. The important chemical cycles and pathways among the major species are outlined and a standard model for the North Equatorial Belt region is examined in detail. It is found that several traditionally dominant chemical pathways among the C and C2 species are replaced in importance by cycles involving C-C4 species. The pressure and altitude profiles of mixing ratios for several observable hydrocarbon species are compared with available ultraviolet- and infrared-derived abundances. The results of sensitivity studies on the standard model with respect to variations in eddy diffusion profile, solar flux, atomic hydrogen influx, latitude, temperature, and important chemical reaction rates are presented. Measured and calculated airglow emissions of He at 584 angstroms and H at 1216 angstroms are also used to provide some constraints on the range of model parameters. The relevance of the model results to the upcoming Galileo mission is briefly discussed. The model is subject to considerable improvement; there is a great need for laboratory measurements of basic reaction rates and photodissociation quantum yields, even for such simple species as methylacetylene and allene. Until such laboratory measurements exist there will be considerable uncertainty in the understanding of the C3 and higher hydrocarbons in the atmospheres of the jovian planets.

NASA Discipline Number 52-20↗
DOE OSTI2021

Nanoparticle dynamics in the spatial afterglows of nonthermal plasma synthesis reactors

Nonthermal plasma flow tube reactors are industrially scalable systems for the production of nanocrystal (NC) based materials and coatings. One key advantage of nonthermal plasma synthesis is the ability to both synthesize NCs and deposit films in a single reactor, as at the reactor outlet, NCs can be inertially deposited onto a target substrate. The size and morphology of deposited particles can substantially influence the film structure and function. Though NCs are typically near-spherical and monodispersed as-produced in plasma synthesis reactors, NC charge and growth dynamics can be altered substantially when NCs are sampled out of the plasma and through the spatial afterglow region, affecting deposition. Experiments have demonstrated changes of NC size and charge in the spatial afterglow; however, these dynamics remain unexplored and unexplained via theory and simulation. To address this, we developed a constant number Monte Carlo (CNMC) simulation model to examine the mechanisms of NC decharging and growth in the spatial afterglow of plasma flow tube reactors. Collisions between NC and plasma species, diffusive deposition, and electron desorption from NCs are incorporated in the CNMC simulation. The simulation results are specifically compared with previous experiments on Si NCs synthesized from a low pressure Ar-SiH 4 nonthermal plasma reactor. Furthermore, the experiment-model comparison shows that CNMC models can be implemented which accurately model NC size distribution evolution in a spatial afterglow. Simultaneously, results show that improved collision models, energetic species diffusion models, and electron desorption models will be necessary to accurately depict NC dynamics in spatial afterglows.

42 ENGINEERING↗
DOE OSTI2016

The Reactive–Diffusive Length of OH and Ozone in Model Organic Aerosols

We report that a key step in the heterogeneous oxidation of atmospheric aerosols is the reaction of ozone (O 3 ) and hydroxyl radicals (OH) at the gas–particle interface. The formation of reaction products and free radical intermediates and their spatial distribution inside the particle is a sensitive function of the length over which these oxidants diffuse prior to reaction. The reactive–diffusive length of OH and ozone at organic aerosol interfaces is determined by observing the change in the effective uptake coefficient for size-selected model aerosols comprising a reactive core and a thin nanometer-sized (0–12 nm) organic shell. The core and shell materials are selected so that they are immiscible and adopt an assumed core–shell configuration. The results indicate a reactive–diffusive length of 1.4 nm for hydroxyl (OH) radicals in squalane and 1.0 nm for ozone in squalene. Measurements for a purely diffusive system allow for an estimate for diffusion constant (1.6 × 10 -6 cm 2 /s) of ozone in squalane to be determined. In conclusion, the reactive–diffusive length offers a simple first order estimate of how shielding of aerosols by immiscible layers can alter estimates of oxidative lifetimes of aerosols in the atmosphere.

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

Understanding the structure and mechanism of Na + diffusion in NASICON solid-state electrolytes and the effect of Sc- and Al/Y-substitution

NASICON (sodium superionic conductor) based ceramics are one of the most promising classes of solid-state electrolytes for all-solid-state batteries. However, the mechanism of sodium ion diffusion is not understood in great detail since there is still a discrepancy between reported average structure models, local structures, and the number and position of sodium sites. To close this gap, we investigate the underlying diffusion mechanism and structural changes governing the Na + transport in Na 3.4 Zr 2 Si 2.4 P 0.6 O 12 using quasielastic neutron scattering (QENS) and powder X-ray diffraction (XRD). In the temperature range from 298 K to 640 K, the correlations between structural changes of a monoclinic C2/c to rhombohedral R $\bar{3}$c phase transition and the result of ion diffusion are investigated. The analysis of the quasielastic neutron scattering data reveals two quasielastic components corresponding to the Chudley-Elliott jump-diffusion model. It clearly shows two different Na + diffusion processes, local and long-range, on two different time and length scales and allows calculations of their corresponding activation energies. Additionally, the effects of Sc 3+ and Al 3+ /Y 3+ aliovalent substitution of Zr 4+ ions on the crystal structure and Na + diffusion are also studied. We can distinguish a local, chain, and cross-chain diffusion mechanism based on correlated QENS and XRD comparison of relevant nearest crystallographic Na–Na distances. The results reveal that the Na + diffusion in these NASICONs is three-dimensional and can provide guidelines on how dopants and changes in the crystal structure can affect the Na + conductivity.

25 ENERGY STORAGE↗
DOE OSTI2021

Framework for predicting the fractionation of complex liquid feeds via polymer membranes

The separation of complex liquid hydrocarbon mixtures was recently demonstrated using the glassy polymer SBAD-1, showing that small molecule fractionation is possible by such organic membrane materials. Here, in this work, we develop a framework that will enable workable predictions of permeate flux and composition in complex hydrocarbon liquids through intrinsically porous glassy polymers. The predictions are made by incorporating experimentally-derived unary sorption and diffusion parameters in a Maxwell-Stefan framework coupled with multicomponent sorption models and various distinct diffusion phenomena. Across the range of sorption and diffusion phenomena considered, both the conventional Flory-Huggins model and the proposed Langmuir + Flory-Huggins sorption model combined with a simple average guest diffusivity or a more complex free-volume theory-based transport resulted in the lowest prediction error for three chosen multicomponent separations. The proposed Maxwell-Stefan framework simply requires pure component transport parameters to allow a fast approximation of the separation of multicomponent liquid hydrocarbon feeds that can potentially be extended to more complex feeds such as crude oil fractions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Supergranule Diffusion and Active Region Decay

Models of the Sun's magnetic dynamo include turbulent diffusion to parameterize the effects of convective motions on the evolution of the Sun's magnetic field. Supergranules are known to dominate the evolution of the surface magnetic field structure as evidenced by the structure of both the active and quiet magnetic network. However, estimates for the dif hivity attributed to su perymules differ by an order of magnitude from about 100 km sup2/s to more than 1000 km sup2/s. We examine this question of the e i v i t y using three merent approaches. 1) We study the decay of more than 30,000 active regions by determining the rate of change in the sunspot area of each active region from day-to-day. 2) We study the decay of a single isolated active region near the time of solar minimum by examining the magnetic field evolution over five solar rotations fiom SOHOMDI magnetograms obtained at 96-minute intervals. 3) We study the characteristics of supergranules that influence the estimates of their diffusive properties - flow speeds and lifetimes as functions of size - fiom SOHO/MDI Dopplergrams.

Hathaway, David H.↗