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DOE OSTI2022

Morphology and Dynamics in Hydroxide-Conducting Polysulfones

In alkaline zinc–manganese dioxide batteries, there is a need for selective polymeric separators that have good hydroxide ion conductivity but that prevent the transport of zincate (Zn(OH) 4 ) 2- . Here we investigate the nanoscale structure and hydroxide transport in two cationic polysulfones that are promising for these separators. We present the synthesis and characterization for a tetraethylammonium-functionalized polysulfone (TEA-PSU) and compare it to our previous work on an N-butylimidazolium-functionalized polysulfone (NBI-PSU). We perform atomistic molecular dynamics (MD) simulations of both polymers at experimentally relevant water contents. The MD simulations show that both polymers develop well phase separated nanoscale water domains that percolate through the polymer. Calculation of the total scattering intensity from the MD simulations reveal weak or nonexistent ionomer peaks at low wave vectors. The lack of an ionomer peak is due to a loss of contrast in the scattering. The small water domains in both polymers, with median diameters on the order of 0.5–0.7 nm, lead to hydroxide and water diffusion constants that are 1–2 orders of magnitude smaller than their values in bulk water. This confinement lowers the conductivity but also may explain the strong exclusion of zincate from the PSU membranes seen experimentally.

25 ENERGY STORAGE↗

DOE OSTI2021

Strain wave pathway to semiconductor-to-metal transition revealed by time-resolved X-ray powder diffraction

One of the main challenges in ultrafast material science is to trigger phase transitions with short pulses of light. Here we show how strain waves, launched by electronic and structural precursor phenomena, determine a coherent macroscopic transformation pathway for the semiconducting-to-metal transition in bistable Ti 3 O 5 nanocrystals. Employing femtosecond powder X-ray diffraction, we measure the lattice deformation in the phase transition as a function of time. We monitor the early intra-cell distortion around the light absorbing metal dimer and the long range deformations governed by acoustic waves propagating from the laser-exposed Ti 3 O 5 surface. We developed a simplified elastic model demonstrating that picosecond switching in nanocrystals happens concomitantly with the propagating acoustic wavefront, several decades faster than thermal processes governed by heat diffusion.

36 MATERIALS SCIENCE↗

NASA NTRS1972

Analytical and experimental study of axisymmetric truncated plug nozzle flow fields

Experimental and analytical investigation of the flow field and base pressure of internal-external-expansion truncated plug nozzles are discussed. Experimental results for two axisymmetric, conical plug-cylindrical shroud, truncated plug nozzles are presented for both open and closed wake operations. These results include extensive optical and pressure data covering nozzle flow field and base pressure characteristics, diffuser effects, lip shock strength, Mach disc behaviour, and the recompression and reverse flow regions. Transonic experiments for a special planar transonic section are presented. An extension of the analytical method of Hall and Mueller to include the internal shock wave from the shroud exit is presented for closed wake operation. Results of this analysis include effects on the flow field and base pressure of ambient pressure ratio, nozzle geometry, and the ratio of specific heats. Static thrust is presented as a function of ambient pressure ratio and nozzle geometry. A new transonic solution method is also presented.

Muller, T. J.↗

NASA NTRS1977

Magnetic field reconnection in a collisionless plasma

A reasonably consistent model of steady-state magnetic-field-line reconnection in a collisionless plasma is constructed by incorporating ion-acoustic anomalous resistance into the hydromagnetic flow in the vicinity of the x-type neutral line. The Petschek-Vasyliunas (1975) reconnection theory is applied, and properties of the ion-acoustic instability are reviewed for the case of comparable ion and electron temperatures. Nonlinear saturation of the instability is examined, the saturation wave intensity is determined as a function of electron drift speed and electron/ion temperature ratio, and the computed wave intensities are used to estimate the steady electric field in the neutral region. Ion-acoustic anomalous resistance is shown to limit the electron drift speed to slightly above the marginally stable value. A model for the resistive-diffusion region is constructed which incorporates the properties of ion-acoustic anomalous resistance, and an approximate solution for the external flow region is matched to the resistive-region solution. It is found that the two solutions are sensibly matched only for a restricted range of upstream plasma parameters. Limitations and possible extensions of the model are discussed.

Coroniti, F. V.↗

NASA NTRS1990

On the possibility of an alpha-sq omega-type dynamo in a thin layer inside the sun

If the solar dynamo operates in a thin layer of 10,000-km thickness at the interface between the convection zone and the radiative core, using the facts that the dynamo should have a period of 22 years and a half-wavelength of 40 deg in the theta-direction, it is possible to impose restrictions on the values which various dynamo parameters are allowed to have. It is pointed out that the dynamo should be of alpha-sq omega nature, and kinematical calculations are presented for free dynamo waves and for dynamos in thin rectangular slabs with appropriate boundary conditions. An alpha-sq omega dynamo is expected to produce a significant poloidal field which does not leak to the solar surface. It is found that the turbulent diffusity eta and alpha-coefficient are restricted to values within about a factor of 10, the median values being eta of about 10 to the 10th sq cm/sec and alpha of about 10 cm/sec. On the basis of mixing length theory, it is pointed out that such values imply a reasonable turbulent velocity of the order 30 m/s, but rather small turbulent length scales like 300 km.

Choudhuri, Arnab Rai↗

NASA NTRS1995

Relativistic electron precipitation enhancements near the outer edge of the radiation belt

Characteristics of relativistic electron precipitation bursts observed by the Heavy Ion Large Telescope (HILT) experiment onboard the Solar, Anomalous, and Magnetospheric Partical Explorer (SAMPEX) satellite were examined. Relatively narrow, persitent, latitudinal bands of precipitation with time scales of 10 to approximately 30 sec near the outer edge of the radiation belt which develop and decay with a time scale of a few hours are reported. Acceleration processes more effective than the usual radial diffusion process or scattering process would be needed to explain this strong precipitation band phenomenon. Another prominent signature is microbursts with a time scale down to a few hundred milliseconds. It is suggested that these microbursts are due to wave-particle interaction involving a relaxation-oscillator type of mechanism.

Nakamura, R.↗

NASA NTRS1985

Numerical simulation of compressible, turbulent, two-phase flow

A computer program for numerically simulating compressible, turbulent, two-phase flows is described and applied. Special attention is given to flows in which dust is ingested into the turbulent boundary layer behind shock waves moving over the earth's surface. it is assumed that the two phases are interpenetrating continua which are coupled by drag forces and heat transfer. The particle phase is assumed to be dilute, and turbulent effects are modeled by zero- and two-equation eddy viscosity models. An important feature of the turbulence modeling is the treatment of surface boundary conditions which control the ingestion of particles into the boundary layer by turbulent friction and diffusion. The numerical method uses second-order implicit upwind differencing of the inviscid terms of the equations and second-order central differencing of the viscous terms. A diagonal form of the implicit algorithm is used to improve efficiency, and the transformation to a curvilinear coordinate system is accomplished by the finite volume techniques. Applications to a series of representative flows include a two-phase nozzle flow, the steady flow of air over a sand bed, and the air flow behind a normal shock wave in uniform motion over a sand bed. Results of the latter two applications are compared with experimental results.

Coakley, t. J.↗

DOE OSTI2018

Pitch Angle Scattering and Loss of Radiation Belt Electrons in Broadband Electromagnetic Waves

A magnetic conjunction between Van Allen Probes spacecraft and the Balloon Array for Radiation-belt Relativistic Electron Losses (BARREL) demonstrates the simultaneous occurrence of broadband Alfvénic fluctuations and multi-timescale modulation of enhanced atmospheric X-ray bremsstrahlung emission. The properties of the Alfvénic fluctuations are utilized to build a model for pitch angle scattering in the outer radiation belt on electron gyro-radii scale field structures. It is observed that this scattering may lead to the transport of electrons into the loss cone over an energy range from hundreds of keV to multi-MeV on diffusive timescales on the order of hours. This process may account for modulation of atmospheric X-ray fluxes observed from balloons and constitute a significant loss process for the radiation belts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Frustrated charge density wave and quasi-long-range bond-orientational order in the magnetic kagome FeGe

The intrinsic frustrated nature of a kagome lattice is amenable to the realization of exotic phases of matter, such as quantum spin liquids or spin ices, and the multiple-q charge density waves (CDW) in the kagome metals. Despite intense efforts to understand the mechanism driving the electronic modulations, its origin is still unknown and obscured by competing interactions and intertwined orders. Here, we identify a dimerization-driven 2D hexagonal charge-diffuse precursor in the antiferromagnetic kagome metal FeGe and demonstrate that the fraction of dimerized/undimerized states is the relevant order parameter of the multiple-q CDW of a continuous phase transition. The pretransitional charge fluctuations with propagation vector q = q M at T CDW < T < T*(125 K) are anisotropic, hence holding a quasi-long-range bond-orientational order. The broken translational symmetry emerges from the anisotropic diffuse precursor, akin to the Ising scenario of antiferromagnetic triangular lattices. The temperature and momentum dependence of the critical scattering show parallels to the stacked hexatic B-phases reported in liquid crystals and transient states of CDWs and highlight the key role of the topological defect-mediated melting of the CDW in FeGe.

Subires, D. [Donostia International Physics Center↗

DOE OSTI2023

Determination of Kinetic Properties of Ni(II) Ions in Molten LiF-NaF-KF via Voltammetry

Kinetic properties of Ni(II) in eutectic LiF-NaF-KF (FLiNaK) molten salt were determined at T = 748–823 K using cyclic voltammetry (CV), square wave voltammetry (SWV), and chronoamperometry (CA) measurements using a glassy C working electrode, Ni(II)/Ni reference electrode, and Ni counter electrode. Reduction of Ni(II) to Ni(s) was determined to be a single step, two-electron transfer process. Diffusivity values were calculated using the Berzins and Delahay equation and semi-integral electroanalysis from the CV measurements as well as using the Cottrell equation from the CA measurements. Diffusivity of Ni(II) in molten FLiNaK at T = 748–823 K was determined to be 3.27 × 10 –7 –3.04 × 10 –6 cm 2 s –1 with an activation energy of 62–104 kJ mol –1 . The estimated kinetic properties varied appreciably among methodologies possibly due to inherent assumptions in theory regarding reversibility and unit activity during Ni metal deposition on the working electrode.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

Development of a theory of the spectral reflectance of minerals, part 3

Significant refinements were made in the theory of the diffuse reflectance of particulate media. The theory predicts the opposite trends of reflectance with particle size in regions of the spectrum in which the particles are semi-transparent and those in which they are opaque. Enhanced absorption caused by wave-optical effects of small surface asperities and edges was used to improve the theory. The same mechanism remedies the theory to account for the data in spectral regions of anomalous dispersion.

Aronson, J. R.↗

NASA NTRS1982

Dynamics of magnetosphere-ionosphere coupling including turbulent transport

A two dimensional two-fluid MHD model including anomalous resistivity was used to investigate the dynamics of magnetosphere-ionosphere coupling. When a field-aligned current is generated on auroral field lines, the disturbance propagates towards the ionosphere in the form of a kinetic Alfven wave. When the current exceeds a critical value, microscopic turbulence is produced, which modifies the propagation of the Alfven wave. This process is modeled by a nonlinear collision frequency, which increases with the excess of the drift velocity over the critical value. Turbulence leads to absorption and reflection of the Alfven wave, partially decoupling the generator from the ionosphere. The approach to a steady-state is strongly dependent on the presence or absence of the turbulence. The current is self-limiting, since a current in excess of critical causes a diffusion of the magnetic field perturbation and a reduction of current.

Lysak, R. L.↗

NASA NTRS1985

The closure problem for turbulence in meteorology and oceanography

The dependent variables used for computer based meteorological predictions and in plans for oceanographic predictions are wave number and frequency filtered values that retain only scales resolvable by the model. Scales unresolvable by the grid in use become 'turbulence'. Whether or not properly processed data are used for initial values is important, especially for sparce data. Fickian diffusion with a constant eddy diffusion is used as a closure for many of the present models. A physically realistic closure based on more modern turbulence concepts, especially one with a reverse cascade at the right times and places, could help improve predictions.

Pierson, W. J., Jr.↗

NASA NTRS1986

Solar wind-plasma interaction: The AMPTE solar wind plasma releases

In situ measurements during AMPTE solar wind ion releases are described. The creation of a diamagnetic cavity, compression and draping of magnetic field lines, recoil of the entire artificial comet, and ion beam and tail formation are discussed. The wave measurements were used to determine the time variation of the plasma density from the measurement of the electron plasma frequency and to determine the state of cloud expansion and cavity formation. Features found include absence of strong turbulence and anomalous diffusion in the cavity boundary, and the appearance of very intense shock-like emission in front of the plasma clouds. The first effect suggests partially unknowm processes leading to magnetic field penetration into the region of the clouds. The direct observation of the interaction processes between the fast streaming solar wind plasma and the expanding cloud plasma of the Li and artificial comet releases may have relevance to astrophysical situations as, for instance, encountered in solar flares, interstellar clouds, or during accretion of matter onto compact objects.

Source record↗

NASA NTRS1988

Modified non-linear Burgers' equations and cosmic ray shocks

A reductive perturbation scheme is used to derive a generalized non-linear Burgers' equation, which includes the effects of dispersion, in the long wavelength regime for the two-fluid hydrodynamical model used to describe cosmic ray acceleration by the first-order Fermi process in astrophysical shocks. The generalized Burger's equation is derived for both relativistic and non-relativistic cosmic ray shocks, and describes the time evolution of weak shocks in the theory of diffusive shock acceleration. The inclusion of dispersive effects modifies the phase velocity of the shock obtained from the lower order non-linear Burger's equation through the introduction of higher order terms from the long wavelength dispersion equation. The travelling wave solution of the generalized Burgers' equation for a single shock shows that larger cosmic ray pressures result in broader shock transitions. The results for relativistic shocks show a steepening of the shock as the shock speed approaches the relativistic cosmic ray sound speed. The dependence of the shock speed on the cosmic ray pressure is also discussed.

Zank, G. P.↗

NASA NTRS1993

Ion acceleration in impulsive solar flares

Nonrelativistic spectra of protons and ions accelerated in impulsive solar flares are derived using more realistic turbulence power spectra. The calculation is based on a particle transport equation extracted from a second step acceleration model containing stochastic acceleration. The turbulence model is generalized to waves with a small angle to the magnetic field vector and to turbulence power spectra with spectral indices s smaller than 2. Due to the occurrence of impulsive flares at low coronal heights, Coulomb losses at the dense coronal plasma and diffusive particle escape are taken into account. The ion spectra show deviations from long-duration spectra near the Coulomb barrier, where the losses become maximal. The Z-squared/A-dependence of the Coulomb losses leads to spectral variations for different ions. We present a method to estimate the turbulence parameters and injection conditions of the flare particles using ion ratios like Fe/O of impulsive flares.

Steinacker, Jurgen↗

NASA NTRS2004

Unified Models of Turbulence and Nonlinear Wave Evolution in the Extended Solar Corona and Solar Wind

The PI (Cranmer) and Co-I (A. van Ballegooijen) made substantial progress toward the goal of producing a unified model of the basic physical processes responsible for solar wind acceleration. The approach outlined in the original proposal comprised two complementary pieces: (1) to further investigate individual physical processes under realistic coronal and solar wind conditions, and (2) to extract the dominant physical effects from simulations and apply them to a 1D model of plasma heating and acceleration. The accomplishments in Year 2 are divided into these two categories: 1a. Focused Study of Kinetic Magnetohydrodynamic (MHD) Turbulence. lb. Focused Study of Non - WKB Alfven Wave Rejection. and 2. The Unified Model Code. We have continued the development of the computational model of a time-study open flux tube in the extended corona. The proton-electron Monte Carlo model is being tested, and collisionless wave-particle interactions are being included. In order to better understand how to easily incorporate various kinds of wave-particle processes into the code, the PI performed a detailed study of the so-called "Ito Calculus", i.e., the mathematical theory of how to update the positions of particles in a probabilistic manner when their motions are governed by diffusion in velocity space.

Cranmer, Steven R.↗

NASA NTRS2006

Self-Passivating Lithium/Solid Electrolyte/Iodine Cells

Robust lithium/solid electrolyte/iodine electrochemical cells that offer significant advantages over commercial lithium/ iodine cells have been developed. At room temperature, these cells can be discharged at current densities 10 to 30 times those of commercial lithium/iodine cells. Moreover, from room temperature up to 80 C, the maximum discharge-current densities of these cells exceed those of all other solid-electrolyte-based cells. A cell of this type includes a metallic lithium anode in contact with a commercial flexible solid electrolyte film that, in turn, is in contact with an iodine/ graphite cathode. The solid electrolyte (the chemical composition of which has not been reported) offers the high ionic conductivity needed for high cell performance. However, the solid electrolyte exhibits an undesirable chemical reactivity to lithium that, if not mitigated, would render the solid electrolyte unsuitable for use in a lithium cell. In this cell, such mitigation is affected by the formation of a thin passivating layer of lithium iodide at the anode/electrolyte interface. Test cells of this type were fabricated from iodine/graphite cathode pellets, free-standing solid-electrolyte films, and lithium-foil anodes. The cathode mixtures were made by grinding together blends of nominally 10 weight percent graphite and 90 weight percent iodine. The cathode mixtures were then pressed into pellets at 36 kpsi (248 MPa) and inserted into coin-shaped stainless-steel cell cases that were coated with graphite paste to minimize corrosion. The solid-electrolyte film material was stamped to form circular pieces to fit in the coin cell cases, inserted in the cases, and pressed against the cathode pellets with polyethylene gaskets. Lithium-foil anodes were placed directly onto the electrolyte films. The layers described thus far were pressed and held together by stainless- steel shims, wave springs, and coin cell caps. The assembled cells were then crimped to form hermetic seals. It was found that the solid electrolyte films became discolored within seconds after they were placed in contact with the cathodes - a result of facile diffusion of iodine through the solid electrolyte material (see figure).

Bugga, Ratnakumar↗