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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Charge segregation in weakly ionized microgels

Here we investigate microgels synthesized from N-isopropylacrylamide (NIPAM) copolymerized with a large mol% of acrylic acid, finding that when the acid groups are partially ionized at high temperatures, competition between ion-induced swelling and hydrophobic deswelling of poly(NIPAM) chains results in microphase separation. In cross-linked microgels, this manifests as a dramatic decrease in the ratio between the radius of gyration and the hydrodynamic radius to ~0.2, indicating that almost all the mass of the microgel is concentrated near the particle center. We also observe a concurrent decrease of the polymer network length scale via small-angle neutron scattering, confirming the presence of a dense, deswollen core surrounded by a diffuse, charged periphery. We compare these results to those obtained for a system of charged ultralow-cross-linked microgels; the form factor shows a distinct peak at high q when the temperature exceeds a threshold value. Lastly, we successfully fit the form factor to theory developed to describe scattering from weakly charged gels in poor solvents, and we tie this behavior to charge segregation in the case of the cross-linked microgels.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

DECaNT: Simulation tool for diffusion of excitons in carbon nanotube films

In this work, we present the numerical tool DECaNT (Diffusion of Excitons in Carbon NanoTubes) that simulates exciton transport in thin films of carbon nanotubes. Through a mesh of nanotubes generated using the Bullet Physics C++ library, excitons move according to an ensemble Monte Carlo algorithm, with the scattering rates that account for tube chirality, orientation, and distance. We calculate the diffusion tensor from the position–position correlation functions and analyze its anisotropy and dependence on the film composition, morphology, and defect density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Planck 2015 results: XXV. Diffuse low-frequency Galactic foregrounds

In this paper, we discuss the Galactic foreground emission between 20 and 100 GHz based on observations by Planck and WMAP. The total intensity in this part of the spectrum is dominated by free-free and spinning dust emission, whereas the polarized intensity is dominated by synchrotron emission. The Commander component-separation tool has been used to separate the various astrophysical processes in total intensity. Comparison with radio recombination line templates verifies the recovery of the free-free emission along the Galactic plane. Comparison of the high-latitude Hα emission with our free-free map shows residuals that correlate with dust optical depth, consistent with a fraction (≈30%) of Hα having been scattered by high-latitude dust. We highlight a number of diffuse spinning dust morphological features at high latitude. There is substantial spatial variation in the spinning dust spectrum, with the emission peak (in I ν ) ranging from below 20 GHz to more than 50 GHz. There is a strong tendency for the spinning dust component near many prominent H ii regions to have a higher peak frequency, suggesting that this increase in peak frequency is associated with dust in the photo-dissociation regions around the nebulae. The emissivity of spinning dust in these diffuse regions is of the same order as previous detections in the literature. Over the entire sky, the Commander solution finds more anomalous microwave emission (AME) than the WMAP component maps, at the expense of synchrotron and free-free emission. This can be explained by the difficulty in separating multiple broadband components with a limited number of frequency maps. Future surveys, particularly at 5–20 GHz, will greatly improve the separation by constraining the synchrotron spectrum. We combine Planck and WMAP data to make the highest signal-to-noise ratio maps yet of the intensity of the all-sky polarized synchrotron emission at frequencies above a few GHz. Most of the high-latitude polarized emission is associated with distinct large-scale loops and spurs, and we re-discuss their structure. We argue that nearly all the emission at 40deg > l > -90deg is part of the Loop I structure, and show that the emission extends much further in to the southern Galactic hemisphere than previously recognised, giving Loop I an ovoid rather than circular outline. However, it does not continue as far as the “Fermi bubble/microwave haze”, making it less probable that these are part of the same structure. We identify a number of new faint features in the polarized sky, including a dearth of polarized synchrotron emission directly correlated with a narrow, roughly 20deg long filament seen in Hα at high Galactic latitude. In conclusion, we look for evidence of polarized AME, however many AME regions are significantly contaminated by polarized synchrotron emission, and we find a 2σ upper limit of 1.6% in the Perseus region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Nanoscale dynamics and aging of fibrous peptide-based gels

Solutions of the aromatic dipeptide derivative molecule fluorenylmethoxycarbonyl-diphenylalanine (Fmoc-FF) in dimethyl sulfoxide produce fibrous gels when mixed with water. We study the evolution of density fluctuations of this three-component system using X-ray photon correlation spectroscopy (XPCS) and compare these results to the macroscopic rheology of the gels and optical observations of the microstructure evolution. At the investigated scattering angles, the intensity autocorrelation functions do not follow behavior expected for simple diffusion of individual Fmoc-FF molecules localized within cages of nearest neighbors. Instead, the dynamics are associated with density fluctuations on length scales of ∼10–100 nm arising from disaggregation and reformation of fibers, leading to an increasingly uniform network. This process is correlated with the growth of the elastic modulus, which saturates at long times. Autocorrelation functions and relaxation times acquired from XPCS measurements are consistent with relaxation rates of structures at dynamic equilibrium. This study provides further support to the concept of exploring peptide-based gelators as valence-limited patchy particles capable of forming equilibrium gels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Light transport with weak angular dependence in fog

Random scattering and absorption of light by tiny particles in aerosols, like fog, reduce situational awareness and cause unacceptable down-time for critical systems or operations. Computationally efficient light transport models are desired for computational imaging to improve remote sensing capabilities in degraded optical environments. To this end, we have developed a model based on a weak angular dependence approximation to the Boltzmann or radiative transfer equation that appears to be applicable in both the moderate and highly scattering regimes, thereby covering the applicability domain of both the small angle and diffusion approximations. An analytic solution was derived and validated using experimental data acquired at the Sandia National Laboratory Fog Chamber facility. The evolution of the fog particle density and size distribution were measured and used to determine macroscopic absorption and scattering properties using Mie theory. A three-band (0.532, 1.55, and 9.68 µ m) transmissometer with lock-in amplifiers enabled changes in fog density of over an order of magnitude to be measured due to the increased transmission at higher wavelengths, covering both the moderate and highly scattering regimes. The meteorological optical range parameter is shown to be about 0.6 times the transport mean free path length, suggesting an improved physical interpretation of this parameter.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Neoclassical Diffusion of Radiation-Belt Electrons Across Very Low L -shells

In the presence of drift-shell splitting intrinsic to the IGRF magnetic field model, pitch-angle scattering from Coulomb collisions experienced by radiation-belt electrons in the upper atmosphere and ionosphere produces extra radial diffusion, a form of neoclassical diffusion. The strength of the neoclassical radial diffusion at L < 1.2 exceeds that expected there from radial-diffusion mechanisms traditionally considered, and decreases with increasing L-shell. In this study we construct a numerical model for this coupled (radial and pitch-angle) collisional diffusion process and apply it to simulate raw count-rate data observed aboard the Gemini spacecraft for several years after the 1962 Starfish nuclear detonation. The data show apparent lifetimes 10-100 times as long as would have been expected from collisional pitch-angle diffusion and Coulomb drag alone. Our model reproduces apparent lifetimes for >0.5-MeV electrons in the region 1.14 < L < 1.26 to within a factor of two (comparable to the uncertainty quoted for the observations). We conclude that neoclassical radial diffusion (resulting from drift-shell splitting intrinsic to IGRF's azimuthal asymmetries) mitigates the decay expected from collisional pitch-angle diffusion and inelastic energy loss alone and thus contributes importantly to the long apparent lifetimes observed at these low L-shells.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Microscopic Dynamics in an Ionic Liquid Augmented with Organic Solvents

We introduce the complex microscopic dynamics of 1-butyl-3-methyl-imidazolium bis(trifluromethylsulfonyl)imide, [Bmim + ][TFSI – ], ionic liquid mixed with organic solvents to improve its properties for energy storage applications. To probe the microscopic dynamics on different length and time scales, we have used different neutron scattering spectrometers for quasielastic neutron scattering measurements to compare the effects of solvation in several organic solvents with nearly the same dipole moment but broadly varying bulk diffusivity. The ionic liquid–solvent mixtures show a nanoscopic phase separation into an ionic liquid-rich and a solvent-rich phase, as revealed by the model-free dynamic susceptibility data and further corroborated by the cluster histogram analysis of molecular dynamics (MD) simulation. In both phases, we observe a long-range translational mobility of the [Bmim + ] cation, which scales with the bulk diffusivities of the organic solvents; this correlation becomes stronger in the solvent-rich phase. Furthermore, various localized motion modes of the [Bmim + ] cation are observed. A combination of neutron scattering and MD simulations reveals the parameters governing solvent-controlled diffusivity in an ionic liquid, which helps formulate new electrolytes optimized for effective energy storage devices.

25 ENERGY STORAGE↗
DOE OSTI2014

Cosmic ray propagation in galactic turbulence

We revisit propagation of galactic cosmic rays (CRs) in light of recent advances in CR diffusion theory in realistic interstellar turbulence. We use a tested model of turbulence in which it has been shown that fast modes dominate scattering of CRs. As a result, propagation becomes inhomogeneous and environment dependent. By adopting the formalism of the nonlinear theory developed by Yan and Lazarian, we calculate the diffusion of CRs self-consistently from first principles. We assume a two-phase model for the Galaxy to account for different damping mechanisms of the fast modes, and we find that the energy dependence of the diffusion coefficient is mainly affected by medium properties. We show that it gives a correct framework to interpret some of the recent CR puzzles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Physical mechanism causing rapid changes in ultrarelativistic electron pitch angle distributions right after a shock arrival: Evaluation of an electron dropout event: Drift Shell Splitting on the Dayside

Three mechanisms have been proposed to explain relativistic electron flux depletions (dropouts) in the Earth's outer radiation belt during storm times: adiabatic expansion of electron drift shells due to a decrease in magnetic field strength, magnetopause shadowing and subsequent outward radial diffusion, and precipitation into the atmosphere (driven by EMIC wave scattering). Which mechanism predominates in causing electron dropouts commonly observed in the outer radiation belt is still debatable. In the present study, we evaluate the physical mechanism that may be primarily responsible for causing the sudden change in relativistic electron pitch angle distributions during a dropout event observed by Van Allen Probes during the main phase of the 27 February 2014 storm. During this event, the phase space density of ultrarelativistic (>1MeV) electrons was depleted by more than 1 order of magnitude over the entire radial extent of the outer radiation belt (3 < L* < 5) in less than 6 h after the passage of an interplanetary shock. We model the electron pitch angle distribution under a compressed magnetic field topology based on actual solar wind conditions. Although these ultrarelativistic electrons exhibit highly anisotropic (peaked in 90°), energy-dependent pitch angle distributions, which appear to be associated with the typical EMIC wave scattering, comparison of the modeled electron distribution to electron measurements indicates that drift shell splitting is responsible for this rapid change in electron pitch angle distributions. This further indicates that magnetopause loss is the predominant cause of the electron dropout right after the shock arrival.

58 GEOSCIENCES↗
DOE OSTI2021

Accurate Determination of the Quantity and Spatial Distribution of Counterions around a Spherical Macroion

Abstract The accurate distribution of countercations (Rb + and Sr 2+ ) around a rigid, spherical, 2.9‐nm size polyoxometalate cluster, {Mo 132 } 42− , is determined by anomalous small‐angle X‐ray scattering. Both Rb + and Sr 2+ ions lead to shorter diffuse lengths for {Mo 132 } than prediction. Most Rb + ions are closely associated with {Mo 132 } by staying near the skeleton of {Mo 132 } or in the Stern layer, whereas more Sr 2+ ions loosely associate with {Mo 132 } in the diffuse layer. The stronger affinity of Rb + ions towards {Mo 132 } than that of Sr 2+ ions explains the anomalous lower critical coagulation concentration of {Mo 132 } with Rb + compared to Sr 2+ . The anomalous behavior of {Mo 132 } can be attributed to majority of negative charges being located at the inner surface of its cavity. The longer anion–cation distance weakens the Coulomb interaction, making the enthalpy change owing to the breakage of hydration layers of cations more important in regulating the counterion–{Mo 132 } interaction.

Chen, Jiahui↗
DOE OSTI2023

Differential multi-probe thermal transport measurements of multi-walled carbon nanotubes grown by chemical vapor deposition

Carbon nanotubes (CNTs) are quasi-one dimensional nanostructures that display both high thermal conductivity for potential thermal management applications and intriguing low-dimensional phonon transport phenomena. In comparison to the advances made in the theoretical calculation of the lattice thermal conductivity of CNTs, thermal transport measurements of CNTs have been limited by either the poor temperature sensitivity of Raman thermometry technique or the presence of contact thermal resistance errors in sensitive two-probe resistance thermometry measurements. Here we report advances in a multi-probe measurement of the intrinsic thermal conductivity of individual multi-walled CNT samples that are transferred from the growth substrate onto the measurement device. The sample-thermometer thermal interface resistance is directly measured by this multi-probe method and used to model the temperature distribution along the contacted sample segment. The detailed temperature profile helps to eliminate the contact thermal resistance error in the obtained thermal conductivity of the suspended sample segment. A differential electro-thermal bridge measurement method is established to enhance the signal-to-noise ratio and reduce the measurement uncertainty by over 40%. The obtained thermal resistances of multiple suspended segments of the same MWCNT samples increase nearly linearly with increasing length, revealing diffusive phonon transport as a result of phonon-defect scattering in these MWCNT samples. The measured thermal conductivity increases with temperature and reaches up to 390 ± 20 W m –1 K –1 at room temperature for a 9-walled MWCNT. In conclusion, theoretical analysis of the measurement results suggests submicron phonon mean free paths due to extrinsic phonon scattering by extended defects such as grain boundaries. The obtained thermal conductivity is decreased by a factor of 3 upon electron beam damage and surface contamination of the CNT sample.

42 ENGINEERING↗
DOE OSTI2022

Role of Metal Selection in the Radiation Stability of Isostructural M-UiO-66 Metal–Organic Frameworks

Robust and versatile metal–organic frameworks (MOFs) have emerged as sophisticated scaffolds to meet the critical needs of the nuclear community, but their performance depends on their underexplored structural integrities in high- radiation fields. The contributions of selected metal nodes in the radiation stability of MOFs within the isostructural M-UiO-66 series (where M = Zr, Ce, Hf, Th, and Pu; Zr-UiO-66 experiments were executed in a previous work) have been determined. Ce-, Hf-, and Th-UiO-66 MOF samples were irradiated via gamma and He-ion methodologies to obtain doses up to 3 MGy and 85 MGy, respectively, the latter strikingly higher than that obtained in most other studies. Appreciable self-irradiation constituted the total absorbed doses, up to 31 MGy of the gamma-irradiated Pu-UiO-66 samples. Structural degradation was ascertained by powder X-ray diffraction, X-ray total scattering, vibrational spectroscopy, and, where possible, N 2 physisorption isotherms. Diffuse reflectance infrared Fourier transform spectroscopy provided atomic-level mechanistic insights to reveal that the node-linker connection was most susceptible to radiation damage. Density functional theory calculations were performed on cluster models to evaluate the binding energy of the linkers to each metal node. Here, while the isostructures disclosed the same breakdown signatures, distinct radiation sensitivity as a function of metal selection was evident and followed the trend Hf-UiO-66 ~ Zr-UiO-66 > Th-UiO-66 > Pu-UiO-66 > Ce-UiO-66. We anticipate that these endeavors will contribute to the rational design of radiation-resistant materials for targeted applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Monte Carlo studies of the intrinsic time-domain response of nanoscale three-branch junctions

We present a Monte Carlo time-domain study of nanostructured ballistic three-branch junctions (TBJs) excited by both step-function and Gaussian picosecond transients. Our TBJs were based on InGaAs 2-dimensional electron gas heterostructures and their geometry followed exactly the earlier experimental studies. Time-resolved, picosecond transients of both the central branch potential and the between-the-arms current demonstrate that the bandwidth of the intrinsic TBJ response reaches the THz frequency range, being mainly limited by the large-signal, intervalley scattering, when the carrier transport regime changes from ballistic to diffusive.

Iñiguez-de-la-Torre, I.↗
DOE OSTI2015

Damped spin waves in the intermediate ordered phases in Ni 3 V 2 O 8

Here, spin dynamics in the intermediate ordered phases (between 4 and 9 K) in Ni 3 V 2 O 8 have been studied with inelastic neutron scattering. It is found that the spin waves are very diffuse, indicative of short lived correlations and the coexistence of paramagnetic moments with the long-range ordered state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Testing eternal inflation with the kinetic Sunyaev Zel'dovich effect

Perhaps the most controversial idea in modern cosmology is that our observable universe is contained within one bubble among many, all inhabiting the eternally inflating multiverse. One of the few way to test this idea is to look for evidence of the relic inhomogeneities left by the collisions between other bubbles and our own. Such relic inhomogeneities will induce a coherent bulk flow over Gpc scales. Therefore, bubble collisions leave unique imprints in the cosmic microwave background (CMB) through the kinetic Sunyaev Zel'dovich (kSZ) effect, temperature anisotropies induced by the scattering of photons from coherently moving free electrons in the diffuse intergalactic medium. The kSZ signature produced by bubble collisions has a unique directional dependence and is tightly correlated with the galaxy distribution; it can therefore be distinguished from other contributions to the CMB anisotropies. An important advantage of the kSZ signature is that it peaks on arcminute angular scales, where the limiting factors in making a detection are instrumental noise and foreground subtraction. This is in contrast to the collision signature in the primary CMB, which peaks on angular scales much larger than one degree, and whose detection is therefore limited by cosmic variance. In this paper, we examine the prospects for probing the inhomogeneities left by bubble collisions using the kSZ effect. We provide a forecast for detection using cross-correlations between CMB and galaxy surveys, finding that the detectability using the kSZ effect can be competitive with constraints from CMB temperature and polarization data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Accelerated Deterministic Phonon Transport With Consistent Material Temperature and Intensities

Abstract We present a method for deterministically solving the frequency and temperature dependent phonon radiative transport (PRT) equation in the single-mode relaxation time (SMRT) approximation in the self-adjoint angular flux (SAAF) form. To handle the nonlinear coupling between the phonon intensities and the material temperature, we apply a linearization approach that is similar to one in thermal radiative transport. This procedure leads to the PRT equation with pseudo-scattering. The method presented includes acceleration of both the inner pseudo-scattering source iterations and outer temperature iteration with a gray diffusion synthetic acceleration (DSA) and Anderson acceleration, respectively. We use the finite-element method to discretize the PRT equation in space and the method of discrete ordinates (SN) for angular discretization. The proposed method is verified by a gray method of manufactured solutions problem and demonstrated on a problem using temperature and direction dependent multigroup data from lithium aluminate (LiAlO2). The iterative performance of the acceleration method in each test is then compared to the unaccelerated method.

Engineering↗
DOE OSTI2018

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

Proton transfer via hydronium and hydroxide ions in water is ubiquitous. It underlies acid–base chemistry, certain enzyme reactions, and even infection by the flu. Despite two centuries of investigation, the mechanism underlying why hydroxide diffuses slower than hydronium in water is still not well understood. Herein, we employ state-of-the-art density-functional-theory-based molecular dynamics—with corrections for non-local van der Waals interactions, and self-interaction in the electronic ground state—to model water and hydrated water ions. At this level of theory, we show that structural diffusion of hydronium preserves the previously recognized concerted behaviour. However, by contrast, proton transfer via hydroxide is less temporally correlated, due to a stabilized hypercoordination solvation structure that discourages proton transfer. Specifically, the latter exhibits non-planar geometry, which agrees with neutron-scattering results. Asymmetry in the temporal correlation of proton transfer leads to hydroxide diffusing slower than hydronium.

Chen, Mohan↗