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Results for “generative diffusion”

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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

Flow in out-of-plane double S-bonds

Developing flows in two out-of-plane double S-bend configurations have been measured by laser-Doppler anemometry. The first duct had a rectangular cross-section 40mmx40mm at the inlet and consisted of a uniform area 22.5 deg. - 22.5 deg. S-duct upstream with a 22.5 deg.- 22.5 deg. S- diffuser downstream. The second duct had a circular cross-section and consisted of a 45 deg. - 45 deg. uniform area S-duct upstream with a 22.5 deg. -22.5 deg. S-diffuser downstream. In both configurations the ratio of the mean radius of curvature to the inlet hydraulic diameter was 7.0, the exit-to-inlet area ratio of the diffusers was 1.5 and the ducts were connected so that the centerline of the S-duct lay in a plane normal to that of the S-diffuser. Streamwise and cross-stream velocity components were measured in laminar flow for the rectangular duct and in turbulent flow for both configurations; measurements of the turbulence levels, cross-correlations and wall static pressures were also made in the turbulent flow cases. Secondary flows of the first kind are present in the first S-duct and they are complemented or counteracted by the secondary flows generated by the area expansion and by the curvature of the S-diffusers downstream. Cross-stream velocities with magnitudes up to 0.19 and 0.11 of the bulk velocity were measured in the laminar and turbulent flows respectively in the rectangular duct and six cross-flow vortices were evident at the exit of the duct in both flow cases. The turbulent flow in the circular duct was qualitatively similar to that in the rectangular configuration, but the cross-stream velocities measured at the exit plane were smaller in the circular geometry. The results are presented in sufficient detail and accuracy for the assessment of numerical calculation methods and are listed in tabular form for this purpose.

Schmidt, M. C.↗
DOE OSTI2013

Modeling biofilms with dual extracellular electron transfer mechanisms

Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as their terminal electron acceptor for metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce components requisite for both mechanisms. In this study, a generic model is presented that incorporates both diffusion- and conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to Shewanella oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found the literature. Our simulation results showed that 1) biofilms having both mechanisms available, especially if they can interact, may have metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of Geobacter sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct measurements and cannot be assumed to have identical values. Finally, we determined that cyclic and squarewave voltammetry are currently not good tools to determine the specific percentage of extracellular electron transfer mechanisms used by biofilms. The developed model will be a critical tool in designing experiments to explain EET mechanisms.

biofilm↗
DOE OSTI2020

Lower Hybrid Drift Waves During Guide Field Reconnection

Generation and propagation of lower hybrid drift wave (LHDW) near the electron diffusion region (EDR) during guide field reconnection at the magnetopause is studied with data from the Magnetospheric Multiscale mission and a theoretical model. Inside the current sheet, the electron beta (β e ) determines which type of LHDW is excited. Inside the EDR, where the electron beta is high (β e ~5), the long-wavelength electromagnetic LHDW is observed propagating obliquely to the local magnetic field. In contrast, the short-wavelength electrostatic LHDW, propagating nearly perpendicular to the magnetic field, is observed slightly away from the EDR, where β e is small (~0.6). These observed LHDW features are explained by a local theoretical model, including effects from the electron temperature anisotropy, finite electron heat flux, electrostatics, and parallel current. The short-wavelength LHDW is capable of generating significant drag force between electrons and ions.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1990

Design considerations for Mars photovoltaic power systems

Considerations for operation of a photovoltaic power system on Mars are discussed with reference to Viking Lander data. The average solar insolation at Mars is 590 W/sq m, which is reduced yet further by atmospheric dust. Of major concern are dust storms, which have been observed to occur on local as well as on global scales, and their effect on solar array output. While atmospheric opacity may rise to values ranging from 3 to 9, depending on storm severity, there is still an appreciable large diffuse illumination, even at high opacities, so that photovoltaic operation is still possible. If the power system is to continue to generate power even on high-optical-opacity (i.e., dusty atmosphere) days, it is important that the photovoltaic system be designed to collect diffuse irradiance as well as direct. Energy storage will be required for operation during the night. Temperature and wind provide additional considerations for array design.

Landis, Geoffrey A.↗
NASA NTRSDate not supplied

Predicting Thermal Response in a Li-ion Cell on a UAV Fight Profile

As the energy storage devices continue to "pack" more energy in a small space, any damage, battery component failure, manufacturing defect, or electrically abusing the battery can lead to catastrophic thermal runaway events. A catastrophic thermal event in a cell leads to high temperature, in some instances spewing of battery materials due to gas development from side reactions initiated due to high internal temperatures. Also, a thermal runaway event can propagate from a single "failed" cell to the pack in a battery pack, leading to a more significant event. Mitigating a thermal runaway event is important in the commercial and automotive sectors. However, preventing such events in an electric aircraft (or air taxis) is paramount due to the lack of alternatives in the event of a failure. Battery prognostics algorithms allow the prediction of state-of-charge (SOC) and end-of-life (EOL) of a Li-ion battery in a UAV (unmanned air vehicle) [1]. For this presentation, we will extend this two-level battery predictive algorithm to predict SOC, EOL, and estimated maximum temperature during a simulated flight. The model is extended by integrating a lumped physics-driven thermal model for high current densities [2]. The parameters used to control SOC and EOL are maximum storable charge, time constant for Li-ion diffusivity in the carbon particles, and internal cell resistance. Cycling leads to an increase in the heat generated by an aged Li-ion cell with a LiyCoO2 (LCO) cathode and a LixC6 (MCMB) anode. The aging of a cell leads to increase in SEI layer thickness, the diffusion time for the lithium ions inside the electrodes, and the local reaction rates, in addition to the thermodynamic abuse caused by fixed cycling voltages controlled by a Battery Management System. As the battery ages, the cell resistance increases, while the onset temperature of the thermal runaway decreases (depends on the cell chemistry and cell abuse history). Any large deviation of the cell temperature from the estimated (expected) value can identify a faulty cell. Since SEI decomposition has the lowest onset temperature in the series of reactions leading to thermal runaway, the model considers the self-heating rate of the SEI decomposition as onset temperature (similar to Ref. [3]). The parameters in the Arrhenius equation for the SEI heating rate depend on the number of cycles, the cell's operating temperature, and the cell's abuse history [4,5]. Coupling the electrochemical, thermal, and aging model allow the prognostic algorithm to estimate a typical cell voltage and temperature as a function of age (cycling and calendar), whose departure from measured values from the BMS is used to identify a safety event. In addition, we will present the results from two simulated flight scenarios for a UAV: typical and extreme, since the power requirements vary significantly during take-off, landing, and changing altitudes, while the power requirements remain low during the cruise. For this presentation, the power requirement for a battery pack in a UAV is scaled to a single cell. This cell is cycled through a simulated profile, and the data is collected and used to predict a safety event.

Li-ion↗
DOE OSTI2011

Phase-field modeling of void evolution and swelling in materials under irradiation

Void swelling is an important phenomenon observed in both nuclear fuels and cladding materials in operating nuclear reactors. In this work we developed a phase-field model to simulate the void nucleation, growth, and the change of void volume fraction. Important material processes including the generation of defects such as vacancies and self-interstitials, their diffusion and annihilation, and void nucleation and evolution have been taken into account in our phase-field model. The thermodynamic and kinetic properties such as chemical free energy, interfacial energy, vacancy mobility, and annihilation rate of vacancies and interstitials are generally expressed as functions of the temperature. The developed model enables one to parametrically study critical void nucleus size, void growth kinetics, and void volume fraction evolutions. Our simulations demonstrated that the volume swelling displays a quasi-bell shape distribution with temperature that was often observed in experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Scaling Relations for Intercalation Induced Damage in Electrodes

Mechanical degradation, owing to intercalation induced stress and microcrack formation, is a key contributor to the electrode performance decay in lithium-ion batteries (LIBs). The stress generation and formation of microcracks are caused by the solid state diffusion of lithium in the active particles. Here in this work, scaling relations are constructed for diffusion induced damage in intercalation electrodes based on an extensive set of numerical experiments with a particle-level description of microcrack formation under disparate operating and cycling conditions, such as temperature, particle size, C-rate, and drive cycle. The microcrack formation and evolution in active particles is simulated based on a stochastic methodology. A reduced order scaling law is constructed based on an extensive set of data from the numerical experiments. The scaling relations include combinatorial constructs of concentration gradient, cumulative strain energy, and microcrack formation. Lastly, the reduced order relations are further employed to study the influence of mechanical degradation on cell performance and validated against the high order model for the case of damage evolution during variable current vehicle drive cycle profiles.

25 ENERGY STORAGE↗
DOE OSTI2026

Bifunctional Electrocatalysts with High-Entropy Alloys: Bridging Hydrogen Evolution and Oxygen Reduction

High-entropy alloys (HEAs) have emerged as a promising class of bifunctional electrocatalysts capable of simultaneously driving the hydrogen evolution reaction (HER) and the oxygen reduction reaction (ORR) with high activity and durability. Their near-equiatomic multicomponent compositions give rise to unique physicochemical characteristics, including lattice distortion, sluggish diffusion, high-entropy stabilization, and pronounced electronic heterogeneity, that collectively generate diverse and synergistic active sites inaccessible in conventional alloys. This review summarizes recent progress in HEA-based bifunctional electrocatalysis, with a focus on the fundamental mechanisms governing HER and ORR activity, stability, and selectivity. We discuss advances in synthesis strategies, ranging from confined growth and step-alloying to scalable continuous-flow methods, that enable precise control over composition, size, and surface structure. Complementary computational and data-driven approaches, including density functional theory, machine-learning-assisted screening, and descriptor development, are highlighted as essential tools for navigating the vast HEA design space and establishing structure−property relationships. Particular attention is paid to adsorption-energy distributions, multisite cooperativity, and environmental effects under realistic electrochemical conditions. Finally, we outline current challenges and future opportunities for integrating mechanistic understanding with AI-guided, closed-loop design frameworks to accelerate the discovery of next-generation HEA bifunctional electrocatalysts for sustainable energy conversion.

Alloys↗
DOE OSTI2025

Transport of Delocalized Excitons through DNA-Based Molecular Photonic Wires

Molecular photonic wires conduct electronic energy via their rapid transport properties. In photosynthesis, nature achieves efficient transport across large distances using delocalized excitons, generated by strong excitonic coupling between chromophores. How, or even whether, delocalization facilitates long-distance energy transport in synthetic systems has been challenging to experimentally test and optimize. Thus, far, studies have been limited to strongly coupled, heterogeneous chromophore aggregates or weakly coupled chromophore monomers. Here, in this work, we employed DNA nanostructures to engineer molecular photonic wires constructed from a series of excitonically coupled indocarbocyanine chromophores─achieving the intermediate and strong coupling regimes. Using time-resolved fluorescence spectroscopy and complementary simulations, we demonstrated that an intermediate intermolecular electronic coupling (∼ k B T ) enables up to 40% faster exciton transport as compared to strongly coupled chromophores. The delocalized excitons generated in the intermediate coupling regime exhibited properties conducive to rapid diffusivity, similar to their monomeric counterparts. Thus, intermediate excitonic coupling, analogous to natural systems, achieves long-distance exciton transport with the high chromophore density required for energy capture.

DNA origami↗
DOE OSTI2017

In Situ Observation of Oxygen Vacancy Dynamics and Ordering in the Epitaxial LaCoO 3 System

Vacancy dynamics and ordering underpin the electrochemical functionality of complex oxides and strongly couple to their physical properties. In the field of the epitaxial thin films, where connection between chemistry and film properties can be most clearly revealed, the effects related to oxygen vacancies are attracting increasing attention. Here, we report a direct, real-time, atomic level observation of the formation of oxygen vacancies in the epitaxial LaCoO 3 thin films and heterostructures under the influence of the electron beam utilizing scanning transmission electron microscopy (STEM). In the case of LaCoO 3 /SrTiO 3 superlattice, the formation of the oxygen vacancies is shown to produce quantifiable changes in the interatomic distances, as well as qualitative changes in the symmetry of the Co sites manifested as off-center displacements. The onset of these changes was observed in both the [100]pc and [110]pc orientations in real time. Additionally, annular bright field images directly show the formation of oxygen vacancy channels along [110]pc direction. In the case of 15 u.c. LaCoO 3 thin film, we observe the sequence of events during beam-induced formation of oxygen vacancy ordered phases and find them consistent with similar processes in the bulk. Moreover, we record the dynamics of the nucleation, growth, and defect interaction at the atomic scale as these transformations happen. These results demonstrate that we can track dynamic oxygen vacancy behavior with STEM, generating atomic-level quantitative information on phase transformation and oxygen diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2021

(S)TEM-EELS as an advanced characterization technique for lithium-ion batteries

Although the lithium-ion battery (LIB) has acquired commercial success as a sustainable power source, it still suffers from multiple challenges for the future applications. In order to further develop next-generation batteries, the dynamics of structure change, charge transfer, and ion diffusion occurring inside the battery need to be deeply understood by advanced characterization techniques. (Scanning) transmission electron microscopy-electron energy loss spectroscopy ((S)TEM-EELS) is an effective method for the nano-scale detection of structural and chemical information in materials. Herein, this review systematically introduces the advantages and fundamentals of (S)TEM-EELS and its unique applications in LIBs.

25 ENERGY STORAGE↗
DOE OSTI2010

Fermi Large Area Telescope observations of Local Group galaxies: detection of M 31 and search for M 33

Context. Cosmic rays (CRs) can be studied through the galaxy-wide gamma-ray emission that they generate when propagating in the interstellar medium. The comparison of the diffuse signals from different systems may inform us about the key parameters in CR acceleration and transport. Aims. We aim to determine and compare the properties of the cosmic-ray-induced gamma-ray emission of several Local Group galaxies. Methods. We use 2 years of nearly continuous sky-survey observations obtained with the Large Area Telescope aboard the Fermi Gamma-ray Space Telescope to search for gamma-ray emission from M 31 and M 33. We compare the results with those for the Large Magellanic Cloud, the Small Magellanic Cloud, the Milky Way, and the starburst galaxies M 82 and NGC 253. Results. We detect a gamma-ray signal at 5σ significance in the energy range 200 MeV–20 GeV that is consistent with originating from M 31. The integral photon flux above 100 MeV amounts to (9.1 ± 1.9stat ± 1.0sys) × 10 -9 ph cm-2 s -1 . We find no evidence for emission from M 33 and derive an upper limit on the photon flux >100 MeV of 5.1 × 10 -9 ph cm -2 s -1 (2σ). Comparing these results to the properties of other Local Group galaxies, we find indications of a correlation between star formation rate and gamma-ray luminosity that also holds for the starburst galaxies. Conclusions. The gamma-ray luminosity of M 31 is about half that of the Milky Way, which implies that the ratio between the average CR densities in M 31 and the Milky Way amounts to ξ = 0.35 ± 0.25. The observed correlation between gamma-ray luminosity and star formation rate suggests that the flux of M 33 is not far below the current upper limit from the LAT observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Nexus between directionality of terahertz waves and structural parameters in groove patterned InAs

We performed terahertz (THz) time-domain spectroscopy in various geometries, for characterizing the directivity of THz waves emitted from groove patterned InAs structures. We first identified two transient transport processes as underlying THz emission mechanisms in InAs epilayers with different thicknesses. Carrier drift around the surface depletion region was predominant for the THz wave generation in the thin sample group (10-70 nm), whereas electronic diffusion overrode the drift currents in the thick sample group (370-900 nm) as revealed by the amplitude change and phase reversal. Through a combination of electron-beam lithography and inductively coupled plasma etching in 1 {mu}m-thick InAs epilayers, we could further periodically fabricate either asymmetric V-groove patterns or symmetric parabolic apertures. The THz amplitude was enhanced, particularly along the line-of-sight transmissive direction when the periodic groove patterns act as microscale reflective mirrors separated by a scale of the diffusion length.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Optical and electrical investigation of a cylindrical diffuse-discharge chamber

More and more attention has been attached to atmospheric-pressure air diffuse plasma due to its enormous potential applications. In this paper, we designed a large-scale, cylindrical diffuse-plasma chamber using wire electrodes and a repetitive nanosecond pulse generator. The plasma chamber can be completely exposed in the open air without any barrier dielectric, and the length of cylindrical plasma chamber was extensible. Using optical and electrical measurements, we investigated the effects of electrode distance, electrode length, pulse repetition frequency, and electrode angle on the uniformity of discharge space. Four discharge regions were distinguished based on different spectral characteristics. Additionally, it was found that the discharge uniformity was improved as the electrode distance decreases, but remained almost constant with the variations of electrode length and pulse repetition frequency. Both of the plasma uniformity and the power density increased significantly as the electrode angle reduced.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Electrodeposition of gold nanoparticles on mesoporous TiO{sub 2} photoelectrode to enhance visible region photocurrent

Electrodeposition of gold nanoparticles (Au NPs) on the mesoporous TiO{sub 2} photoelectrode to enchance visible region photocurrent have been investigated. Mesoporous TiO{sub 2} was prepared by a sol gel method and immobilized to the fluorine doped tin oxide (FTO) substrate by dip coating technique. Gold nanoparticles were electrodeposited on the TiO{sub 2} surface and the result FTO/TiO{sub 2}/Au was characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), UV-Vis diffuse reflectance spectroscopy (DRS), and X-ray diffraction (XRD). The generated photocurrent was evaluated with an electrochemical workstation (e-DAQ/e-recorder 401) using 60 W wolfram lamp as visible light source. The photoelectrochemical evaluation indicated that the presence of gold nanoparticles on TiO{sub 2} photoelectrode shall enhance the photocurrent up to 50%.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Analysis of combustion acoustic phenomena in compression–ignition engines using large eddy simulation

As computational capabilities continue to grow, exploring the limits of computational fluid dynamics to capture complex and elusive phenomena, which are otherwise difficult to study by experimental techniques, is one of the main targets for the research community. This paper presents a detailed analysis of the physical processes that lead to combustion noise emissions in internal combustion engines. In particular, diesel combustion in a compression-ignition (CI) engine is studied in order to understand the singular behavior of the in-cylinder flow field responsible for the acoustic emissions. The main objective is, therefore, to improve the understanding of the phenomena involved in CI engine noise using large eddy simulations. Several visualization methods are employed to investigate the connection between combustion behavior and its effects on the pressure field. In addition, proper orthogonal decomposition is used to analyze the modal energy distribution among all the acoustic modes. The results show that the acoustic signature is fundamentally conditioned by the intensity of the premixed combustion rather than by the pressure oscillations generated by turbulent fluctuations in the flame surface established during the diffusion stage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

SHOCKS AND THERMAL CONDUCTION FRONTS IN RETRACTING RECONNECTED FLUX TUBES

We present a model for plasma heating produced by time-dependent, spatially localized reconnection within a flare current sheet separating skewed magnetic fields. The reconnection creates flux tubes of new connectivity which subsequently retract at Alfvenic speeds from the reconnection site. Heating occurs in gas-dynamic shocks (GDSs) which develop inside these tubes. Here we present generalized thin flux tube equations for the dynamics of reconnected flux tubes, including pressure-driven parallel dynamics as well as temperature-dependent, anisotropic viscosity and thermal conductivity. The evolution of tubes embedded in a uniform, skewed magnetic field, following reconnection in a patch, is studied through numerical solutions of these equations, for solar coronal conditions. Even though viscosity and thermal conductivity are negligible in the quiet solar corona, the strong GDSs generated by compressing plasma inside reconnected flux tubes generate large velocity and temperature gradients along the tube, rendering the diffusive processes dominant. They determine the thickness of the shock that evolves up to a steady state value, although this condition may not be reached in the short times involved in a flare. For realistic solar coronal parameters, this steady state shock thickness might be as long as the entire flux tube. For strong shocks at low Prandtl numbers, typical of the solar corona, the GDS consists of an isothermal sub-shock where all the compression and cooling occur, preceded by a thermal front where the temperature increases and most of the heating occurs. We estimate the length of each of these sub-regions and the speed of their propagation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

DENSITY POWER SPECTRUM IN TURBULENT THERMALLY BISTABLE FLOWS

In this paper, we numerically study the behavior of the density power spectrum in turbulent thermally bistable flows. We analyze a set of five three-dimensional simulations where turbulence is randomly driven in Fourier space at a fixed wavenumber and with different Mach numbers M (with respect to the warm medium) ranging from 0.2 to 4.5. The density power spectrum becomes shallower as M increases and the same is true for the column density power spectrum. This trend is interpreted as a consequence of the simultaneous turbulent compressions, thermal instability generated density fluctuations, and the weakening of thermal pressure force in diffuse gas. This behavior is consistent with the fact that observationally determined spectra exhibit different slopes in different regions. The values of the spectral indices resulting from our simulations are consistent with observational values. We also explore the behavior of the velocity power spectrum, which becomes steeper as M increases. The spectral index goes from a value much shallower than the Kolmogorov one for M = 0.2 to a value steeper than the Kolmogorov one for M = 4.5.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗