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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

LOGNORMAL INTENSITY DISTRIBUTION OF THE FAR-ULTRAVIOLET CONTINUUM BACKGROUND SHORTWARD OF Ly{alpha}

The diffuse far-ultraviolet (FUV) continuum radiation 'longward' of Ly{alpha} (1216 A) is well known to correlate with the dust emission at 100 {mu}m. However, it has been claimed that the FUV continuum background 'shortward' of Ly{alpha} shows very weak or no correlation with the 100 {mu}m emission. In this paper, the observational data of the diffuse FUV radiation by the Far Ultraviolet Spectroscopic Explorer (FUSE) are reexamined in order to investigate the correlation between the diffuse FUV radiation shortward of Ly{alpha} and the 100 {mu}m emission. Large fluctuations were confirmed in the linear-linear correlation plots, but good correlations were found in the log-log plots. The large fluctuations in the linear-linear plots, and thus poor correlations, between the FUV and 100 {mu}m intensities were attributed to the lognormal property of the FUV intensity distribution. The standard deviation of the intensity distribution of the FUV radiation shortward of Ly{alpha} was found to be {sigma}{sub logI} = 0.16-0.25. The result is consistent with that obtained not only for the FUV radiation longward of 1216 A but also with the dust column density measurements of various molecular clouds. This implies that most of the diffuse FUV radiation shortward of Ly{alpha} is dust-scattered light in the turbulent interstellar medium. The diffuse FUV data obtained from the Voyager missions were also investigated. However, much wider random fluctuations were found compared with the FUSE data, which is most likely due to the systematic difficulties in data reduction of the Voyager data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

A Positive Asymptotic-Preserving Scheme for Linear Kinetic Transport Equations

We present a positive- and asymptotic-preserving numerical scheme for solving linear kinetic transport equations that relax to a diffusive equation in the limit of infinite scattering. The proposed scheme is developed using a standard spectral angular discretization and a classical micro-macro decomposition. The three main ingredients are a semi-implicit temporal discretization, a dedicated finite difference spatial discretization, and realizability limiters in the angular discretization. Under mild assumptions, the scheme becomes a consistent numerical discretization for the limiting diffusion equation when the scattering cross-section tends to infinity. The scheme also preserves positivity of the particle concentration on the space-time mesh and therefore fixes a common defect of spectral angular discretizations. The scheme is tested on the well-known line source benchmark problem with the usual uniform material medium as well as a medium composed of different materials that are arranged in a checkerboard pattern. We also tested the scheme on a Riemann problem with a nonuniform material medium. The observed order of space-time accuracy of the proposed scheme is reported.

nite difference methods↗
DOE OSTI2018

Sulfur Diffusion within Nitrogen-Doped Ordered Mesoporous Carbons Determined by in Situ X-ray Scattering

The low intrinsic conductivity of sulfur necessitates conductive additives, such as mesoporous carbons, to the cathode to enable high-performance metal–sulfur batteries. Simultaneous efforts to address polysulfide shuttling have introduced nitrogen-doped carbons to provide both conductivity and suppressed shuttling because of their strong interaction with sulfur. The strength of this interaction will impact the ability to fill the mesopores with sulfur via melt infusion. Here in this study, we systematically investigate how nitrogen doping influences the rate that molten sulfur can infiltrate the mesopores and the overall extent of pore filling of highly ordered mesoporous doped carbons using in situ small angle X-ray scattering (SAXS). The similarity in electron density between molten sulfur and the soft carbon framework of the mesoporous material leads to a precipitous decrease in the scattered intensity associated with the ordered structure as voids are filled with sulfur. As the nitrogen doping increases from 1 to 20 at. %, the effective diffusivity of sulfur in the mesopores decreases by an order of magnitude (2.7 × 10 –8 to 2.3 × 10 –9 cm/s). The scattering becomes nearly invariant within 20 min of melt infiltration at 155 °C for all but the most doped carbon, which indicates that submicron-sized mesoporous carbon particles can be filled rapidly. Additionally, the nitrogen doping decreases the sulfur content that can be accommodated within the mesopores from 95% of the mesopores filled without doping to only 64% filled with 20 at. % N as determined by the residual scattering intensity. Sulfur does not crystallize within the mesopores of the nitrogen-doped carbons, which is further indicative of the strong interactions between the nitrogen species and sulfur that can inhibit polysulfide shuttling. Lastly, in situ SAXS provides insights into the diffusion of sulfur in mesopores and how the surface chemistry of nitrogen-doped carbon appears to significantly hinder the infiltration by sulfur.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Holographic odderon at TOTEM?

We consider the contribution of the Odderon to diffractive p p and p p ¯ elastic scattering at large center of mass energy. We identify the Odderon and Pomeron with the Reggeized 1 ± − and 2 + + glueballs in the bulk, respectively. We use for the gravity dual description the repulsive wall model, to account for the proper Gribov diffusion for off-forward scattering. The eikonalized and unitarized amplitudes exhibit a vanishingly small rho-parameter, and a slope parameter fixed by twice the closed string slope. The results for the differential and total cross sections are compared to the empirical results reported recently by the TOTEM collaboration. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2014

On the evolution of cured voxel in bulk photopolymerization upon focused Gaussian laser exposure

Unconstrained depth photopolymerization is emerging as a promising technique for fabrication of several polymer microstructures such as self propagating waveguides, 3D freeform structures by bulk lithography, and polymer nanoparticles by flash exposure. Experimental observations reveal governing physics beyond Beer Lambert's law and scattering effects. This paper seeks to model unconstrained depth photopolymerization using classical nonlinear Schrödinger equation coupled with transient diffusion phenomenon. The beam propagation part of the proposed model considers scattering effects induced due to spatial variation of the refractive index as a function of the beam intensity. The critical curing energy model is used to further predict profile of polymerized voxel. Profiles of photopolymerized voxel simulated using proposed model are compared with the corresponding experimental results for several cases of exposure dose and duration. The comparison shows close match leading to conclusion that the experimentally observed deviation from Beer Lambert's law is indeed due to combined effect of diffusion of photoinitiator and scattering of light because of change in the refractive index.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Harnessing emergent multiple scattering resonances in a photonic glass structure for photoelectrochemical energy conversion

Light trapping nanostructures are often necessary to improve carrier collection yields in semiconductor photoelectrodes with intrinsically poor electron transport. Photonic crystal templates can generate tailorable light trapping via periodic and precise nanostructure, though this is not a scalable strategy for photoelectrochemical (PEC) applications. It is therefore critical to identify alternative mechanisms for light trapping that tolerate disorder. Light trapping in disordered media is generated by the diffusive transport caused by multiple scattering. In some cases, multiple scattering can generate resonances that resemble those observed in photonic crystals. While resonant multiple scattering is a disorder tolerant light trapping mechanism, it is unclear if the effect is sufficiently adaptable, or even useful, for PEC applications. Here, we describe a photonic omission glass, a nanostructure that can controllably induce resonances in multiple scattering transport. We characterized the emergence of these resonances after coating a disordered SiO 2 colloidal structure with a layer of TiO 2 , which functions both as dielectric contrast and as a light absorbing semiconductor. We show in finite element simulations and spectroscopic characterization that the resonant multiple scattering effect improves light trapping near the interface between the structure and the bulk electrolyte. This effect, coupled with the increased electrochemically active surface area, results in a hierarchically structured TiO 2 photoanode with orders of magnitude higher photocurrents compared to an equivalent planar photoanode for PEC reactions such as alkaline water oxidation. We show that controlling this resonant multiple scattering effect can be advantageous for improving PEC energy conversion in disordered photoelectrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

In Vivo Protein Dynamics on the Nanometer Length Scale and Nanosecond Time Scale

Selectively labeled GroEL protein was produced in living deuterated bacterial cells to enhance its neutron scattering signal above that of the intracellular milieu. Quasi-elastic neutron scattering shows that the in-cell diffusion coefficient of GroEL was (4.7 ± 0.3) × 10 –12 m 2 /s, a factor of 4 slower than its diffusion coefficient in buffer solution. Furthermore, for internal protein dynamics we see a relaxation time of (65 ± 6) ps, a factor of 2 slower compared to the protein in solution. Comparison to the literature suggests that the effective diffusivity of proteins depends on the length and time scale being probed. Retardation of in-cell diffusion compared to the buffer becomes more significant with the increasing probe length scale, suggesting that intracellular diffusion of biomolecules is nonuniform over the cellular volume. This approach outlined here enables investigation of protein dynamics within living cells to open up new lines of research using “in-cell neutron scattering” to study the dynamics of complex biomolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

RADIO PULSATION SEARCH AND IMAGING STUDY OF SGR J1935+2154

We present the results obtained from imaging observations and a search for radio pulsations toward the magnetar SGR J1935+2154 made using the Giant Metrewave Radio Telescope and the Ooty Radio Telescope. We present the high-resolution radio image of the supernova remnant (SNR) G57.2+0.8, which is positionally associated with SGR J1935+2154. We did not detect significant periodic radio pulsations from the magnetar, with 8 σ upper limits on its flux density of 0.4 and 0.2 mJy at 326.5 and 610 MHz, respectively, for an assumed duty cycle of 10%. The corresponding 6 σ upper limits at the two frequencies for any burst emission with an assumed width of 10 ms are 0.5 Jy and 63 mJy, respectively. No continuum radio point source was detected at the position of SGR J1935+2154 with a 3 σ upper limit of 1.2 mJy. We also did not detect significant diffuse radio emission in a radius of 70 arc s coinciding with the recently reported diffuse X-ray emission, with a 3 σ upper limit of 4.5 mJy. Using the archival HI spectra, we estimate the distance of SNR G57.2+0.8 to be 11.7 ± 2.8 kpc. Based on the measured HI column density ( N {sub H} ) along this line of sight, we argue that the magnetar could be physically associated with SNR G57.2+0.8. Based on the present data, we cannot rule out either a pulsar wind nebula or a dust-scattering halo origin for the diffuse X-ray emission seen around the magnetar.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

DREAM3D simulations of inner-belt dynamics

A 1973 paper by Lyons and Thorne explains the two-belt structure for electrons in the inner magnetosphere as a balance between inward radial diffusion and loss to the atmosphere, where the loss to the atmosphere is enabled by pitch-angle scattering from Coulomb and wave-particle interactions. In the 1973 paper, equilibrium solutions to a decoupled set of 1D radial diffusion equations, one for each value of the first invariant of motion, μ, were computed to produce the equilibrium two-belt structure. Each 1D radial diffusion equation incorporated an L-and μ-dependent `lifetime' due to the Coulomb and wave-particle interactions. This decoupling of the problem is appropriate under the assumption that radial diffusion is slow in comparison to pitch-angle scattering. However, for some values of μ and L the lifetime associated with pitch-angle scattering is comparable to the timescale associated with radial diffusion, suggesting that the true equilibrium solutions might reflect `coupled modes' involving pitch-angle scattering and radial diffusion and thus requiring a 3D diffusion model. In the work we show here, we have computed the equilibrium solutions using our 3D diffusion model, DREAM3D, that allows for such coupling. We find that the 3D equilibrium solutions are quite similar to the solutions shown in the 1973 paper when we use the same physical models for radial diffusion and pitch-angle scattering from hiss. However, we show that the equilibrium solutions are quite sensitive to various aspects of the physics model employed in the 1973 paper that can be improved, suggesting that additional work needs to be done to understand the two-belt structure.

58 GEOSCIENCES↗
DOE OSTI2018

Determination of the volume fraction of precipitates in a nitrided Fe-0.354 wt% C-2.93 wt% Cr model alloy by anomalous small angle X-ray scattering

Highlights: • Anomalous small-angle X-ray scattering (ASAXS) is used to study nitriding of Fe-Cr-C steels. • ASAXS gives access to chemical information of nanoscaled nitrides. • The volume fraction of nitrides is determined along the diffusion layer. - Abstract: Anomalous small angle scattering (ASAXS) is a powerful non-destructive technique that can provide characteristic features of nanoscale precipitates such as the volume fraction, and chemical composition. In this paper, the technique is used for the first time to explore nanoscale MN nitrides (M = Cr,Fe) after nitriding of a model iron alloy (Fe-0.354 wt% C-2.93 wt% Cr).

36 MATERIALS SCIENCE↗
DOE OSTI2016

Characteristic energy range of electron scattering due to plasmaspheric hiss

In this paper, we investigate the characteristic energy range of electron flux decay due to the interaction with plasmaspheric hiss in the Earth's inner magnetosphere. The Van Allen Probes have measured the energetic electron flux decay profiles in the Earth's outer radiation belt during a quiet period following the geomagnetic storm that occurred on 7 November 2015. The observed energy of significant electron decay increases with decreasing L shell and is well correlated with the energy band corresponding to the first adiabatic invariant μ = 4–200 MeV/G. The electron diffusion coefficients due to hiss scattering are calculated at L = 2–6, and the modeled energy band of effective pitch angle scattering is also well correlated with the constant μ lines and is consistent with the observed energy range of electron decay. Using the previously developed statistical plasmaspheric hiss model during modestly disturbed periods, we perform a 2-D Fokker-Planck simulation of the electron phase space density evolution at L = 3.5 and demonstrate that plasmaspheric hiss causes the significant decay of 100 keV–1 MeV electrons with the largest decay rate occurring at around 340 keV, forming anisotropic pitch angle distributions at lower energies and more flattened distributions at higher energies. Finally, our study provides reasonable estimates of the electron populations that can be most significantly affected by plasmaspheric hiss and the consequent electron decay profiles.

79 ASTRONOMY AND ASTROPHYSICS↗
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↗
DOE OSTI2012

Modulated heterodyne light scattering set-up for measuring long relaxation time at small and wide angle

We present a simple, compact, and versatile experimental setup working in the heterodyne detection mode with modulation of the reference beam. The system is implemented with a collection optics based on a unimodal optical fiber coupler. This choice allows the heterodyne to be used in a wide range of scattering angles, even for very small ones, without losing the optical beating. The apparatus can be successfully used to study translational diffusive dynamics of dispersed particles at scattering angles smaller than 5 Degree-Sign and it is suitable for exploring slow relaxation processes in sub-Hertz frequency domain, for example, in glass-forming systems. It is also possible to measure the electrophoretic mobility by applying an electric field into a charged particles solution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Fast Na diffusion and anharmonic phonon dynamics in superionic Na 3 PS 4

The design of new solid electrolytes (SEs) hinges on identifying and tuning relevant descriptors. Phonons describe the atomic dynamics in crystalline materials and provide a basis to encode possible minimum energy pathways for ion migration, but anharmonic effects can be large in SEs. Identifying and controlling the pertinent phonon modes coupled most strongly with ionic conductivity, and assessing the role of anharmonicity, could therefore pave the way for discovering and designing new SEs via phonon engineering. In this work, we investigate phonons in Na 3 PS 4 and their coupling to fast Na diffusion, using a combination of neutron scattering, ab initio molecular dynamics (AIMD), and extended molecular dynamics based on machine-learned potentials. We identify that anharmonic soft-modes at the Brillouin zone boundary of the anharmonically stabilized cubic phase constitute key phonon modes that control the Na diffusion process in Na 3 PS 4 . We demonstrate how these strongly anharmonic phonon modes enable Na-ions to hop along the minimum energy pathways. Further, the quasi-elastic neutron scattering (QENS) measurements, supplemented with ab initio and machine-learned molecular dynamics simulations, probe the Na diffusivity and diffusion mechanism. These results offer detailed microscopic insights into the dynamic mechanism of fast Na diffusion and provide an avenue to search for further Na solid electrolytes.

42 ENGINEERING↗
DOE OSTI2022

Strongly Anharmonic Phonons and Their Role in Superionic Diffusion and Ultralow Thermal Conductivity of Cu 7 PSe 6

We report the quest for advanced superionic materials requires understanding their complex atomic dynamics, but detailed studies of the interplay between lattice vibrations and ionic diffusion remain scarce. Here inelastic and quasielastic neutron scattering measurements in the superionic argyrodite Cu 7 PSe 6 are reported, combined with molecular dynamics (MD) based on ab initio and machine-learned potentials, providing critical insights into the atomistic mechanisms underlying fast ion conduction. The results reveal how long-range Cu diffusion is limited by intercluster hopping, controlled by selective anharmonic phonons of the crystalline framework. Further, the Green–Kubo simulations reproduce the ultralow lattice thermal conductivity and identify contributions from mobile ions, phonons, and their cross-correlations. The mode resolved analysis shows that the thermal conductivity is dominated by low-energy acoustic phonon modes of the overall crystal framework. The analysis of mode-resolved spectral functions further show that vibrational modes with significant Cu contributions are strongly damped, corresponding to the breakdown of associated phonon quasiparticles. These results highlight the importance of strongly anharmonic effects in superionic systems, in which the traditional quasiharmonic phonon picture is insufficient, and pave the way toward combining machine-learning accelerated simulations with neutron scattering experiments to rationalize the complex atomic dynamics underlying ionic and thermal transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

STRAHL FORMATION IN THE SOLAR WIND ELECTRONS VIA WHISTLER INSTABILITY

This Letter puts forth a possible explanation for the formation of a solar wind strahl electron distribution function by means of local wave–particle interactions. A solar wind electron consists of a core and the hot “halo” electrons, which possess a net drift speed with respect to the core. According to the present model, pitch angle scattering of the initially isotropic drifting halo occurs when the enhanced whistler waves are excited by mildly anisotropic core electrons. The pitch angle scattering primarily affects the halo moving in the anti-sunward direction, resulting in pitch angle diffusion across the 90° gap through a nonlinear scattering process, and consequently leading to a reduction in the net drift speed of halo electrons. The remaining portion of the anti-sunward moving halo, which is not affected by pitch angle scattering, simply appears to form a field-aligned strahl in the electron velocity distribution. The present scenario of local generation of the strahl is demonstrated by the particle-in-cell simulation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

NMR spin diffusion measurements in disordered polymers: Insights and limitations

Nuclear magnetic resonance (NMR) spin diffusion measurements have been widely used to estimate domain sizes in a variety of polymer materials. In cases where the domains are well-described as regular, repeating structures (e.g., lamellar, cylindrical channels, monodispersed spherical domains), the domain sizes estimated from NMR spin diffusion experiments agree with the characteristic length scales obtained from small-angle x-ray scattering and microscopy. In our laboratory, recent NMR spin diffusion experiments for hydrated sulfonated Diels Alder poly(phenylene) (SDAPP) polymer membranes have revealed that assuming a simple structural model can often misrepresent or overestimate the domain size in situations where more complex and disordered morphologies exist. Molecular dynamics simulations of the SDAPP membranes predict a complex heterogeneous hydrophilic domain structure that varies with the degree of sulfonation and hydration and is not readily represented by a simple repeating domain structure. This heterogeneous morphology results in NMR-measured domain sizes that disagree with length scales estimated from the ionomer peak in scattering experiments. Here we present numerical NMR spin diffusion simulations that show how structural disorder in the form of domain size distributions or domain clustering can significantly impact the spin diffusion analysis and estimated domain sizes. As a result, simulations of NMR spin diffusion with differing domain size distributions and domain clustering are used to identify the impact of the heterogeneous domain structure and highlight the limitations of using NMR spin diffusion techniques for irregular structures.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Oxidative Corrosion of the UO 2 (001) Surface by Nonclassical Diffusion

Uranium oxide is central to every stage of the nuclear fuel cycle, from mining through fuel fabrication and use, to waste disposal and environmental cleanup. Its chemical and mechanical stability are intricately linked to the concentration of interstitial O atoms within the structure and the oxidation state of U. We have previously shown that during corrosion of the UO2 (111) surface under either 1 atm O2 gas or oxygenated water at room temperature, oxygen interstitials diffuse into the substrate to form a superlattice with three-layer periodicity. In the current study, we present results from surface x-ray scattering that reveal the structure of the oxygen diffusion profile beneath the (001) surface. The first few layers below the surface oscillate strongly in their surface-normal lattice parameters, suggesting preferential interstitial occupation of every other layer below the surface, which is geometrically consistent with the interstitial network that forms below the oxidized (111) surface. Deeper layers are heavily contracted and indicate that the oxidation front penetrates ~52 Å below the (001) surface after 21 days of dry O2 gas exposure at ambient pressure and temperature. X-ray photoelectron spectroscopy indicates U is present as U(IV), U(V), and U(VI).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗