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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 19 records

Enriching Cations Using Electric Field Gradients Generated by Bipolar Electrodes in the Absence of Buffer

We discuss that ionic current gradients and corresponding electric field gradients formed at bipolar electrodes are useful for enriching cations up to ~350-fold at specific locations in microfluidic devices. The enrichment mechanism is determined by collecting current data, measuring solution conductivity, and by performing pH indicator experiments. These data reveal the dynamic nature of the enrichment mechanism. Specifically, they show the complex relationship between the ionic current gradients formed at the bipolar electrode and the extent of cation enrichment. Finally, we demonstrate cation enrichment is possible in buffer-free solutions containing up to 50.0 mM KCl. This finding is significant because it broadens the range of solutions in which membrane-free, electrochemical separations using bipolar electrodes can be performed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Guiding center and gyrokinetic orbit theory for large electric field gradients and strong shear flows

The guiding center and gyrokinetic theory of magnetized particle motion is extended to the regime of large electric field gradients perpendicular to the magnetic field. A gradient in the electric field directly modifies the oscillation frequency and causes the Larmor orbits to deform from circular to elliptical trajectories. In order to retain a good adiabatic invariant, there can only be strong dependence on a single coordinate at lowest order, so that resonances do not generate chaotic motion that destroys the invariant. When the gradient across magnetic flux surfaces is dominant, the guiding center drift velocity becomes anisotropic in response to external forces and additional curvature drifts must be included. The electric polarization density remains gyrotropic, but both the polarization and magnetization are modified by the change in gyrofrequency. The theory can be applied to shear flows that are even stronger than those observed in the edge transport barrier of a high-performance tokamak (H-mode) pedestal, even if the toroidal field is as small as or even smaller than the poloidal field. Yet, the theory retains a mathematical form that is similar to the standard case and can readily be implemented within existing simulation tools.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electric field gradients at rubidium sites in rubidium uranyl nitrate and quadrupole moments of 85 Rb and 87 Rb

The electronic structure along the axial direction of the uranyl ion in rubidium uranyl nitrate (RbUO 2 (NO 3 ) 3 ) has been studied by nuclear quadrupole resonance and nuclear magnetic resonance measurements of 85 Rb and 87 Rb quadrupole couplings. Here, the parameter of interest in these experiments is the electric field gradient at the Rb sites, which may be compared with values com- puted by various theoretical approaches. From this analysis an accurate ratio of the quadrupole moments of 85 Rb and 87 Rb has also been obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine learning of 27Al NMR electric field gradient tensors for crystalline structures from DFT

NMR crystallography has emerged as a promising technique for the determination and refinement of atomic coordinates in crystal structures. The crystal structure of compounds containing quadrupolar nuclei, such as 27Al, can be improved by directly comparing solid-state NMR measurements to DFT computations of the electric field gradient (EFG) tensor. The non-negligible computational cost of these first-principles calculations limits the applicability of this method to all but the most well-defined structures. We developed a fast, low-cost machine learning model to predict EFG parameters based on local structural motifs and elemental parameters. We computed 8081 EFG tensors from 1681 27Al crystalline solids using DFT and benchmarked them against 105 experimentally measured 27Al sites. Surprisingly, simple local geometric features dominate the predictive performance of the resulting random-forest model, yielding an R2 value of 0.98 and an RMSE of 0.61 MHz for CQ, the quadrupolar coupling constant. This model accuracy should enable pre-refining future structural assignments before finally validating with first-principles calculations. Such a catalogue of 27Al NMR tensors can serve as a tool for researchers assigning complex NMR spectra influenced by the nuclear electric quadrupole interaction.

Sun, He↗

Physics of Hard Sphere Experiment: Scattering, Rheology and Microscopy Study of Colloidal Particles

The Physics of Hard Sphere Experiment has two incarnations: the first as a scattering and rheology experiment on STS-83 and STS-94 and the second as a microscopy experiment to be performed in the future on LMM on the space station. Here we describe some of the quantitative and qualitative results from previous flights on the dynamics of crystallization in microgravity and especially the observed interaction of growing crystallites in the coexistance regime. To clarify rheological measurements we also present ground based experiments on the low shear rate viscosity and diffusion coefficient of several hard sphere experiments at high volume fraction. We also show how these experiments will be performed with confocal microscopy and laser tweezers in our lab and as preparation for the phAse II experiments on LMM. One of the main aims of the microscopy study will be the control of colloidal samples using an array of applied fields with an eye toward colloidal architectures. Temperature gradients, electric field gradients, laser tweezers and a variety of switchable imposed surface patterns are used toward this control.

Z D Cheng↗

Origin of transverse voltages generated by thermal gradients and electric fields in ferrimagnetic-insulator/heavy-metal bilayers

We compare thermal-gradient-driven transverse voltages in ferrimagnetic-insulator/heavy-metal bilayers (Tm 3 Fe 5 O 12 /W and Tm 3 Fe 5 O 12 /Pt) to corresponding electrically driven transverse resistances at and above room temperature. We find for Tm 3 Fe 5 O 12 /W that the thermal and electrical effects can be explained by a common spin-current detection mechanism, the physics underlying spin Hall magnetoresistance (SMR). However, for Tm 3 Fe 5 O 12 /Pt the ratio of the electrically driven transverse voltages (planar Hall signal/anomalous Hall signal) is much larger than the ratio of corresponding thermal-gradient signals, a result which is very different from expectations for a SMR-based mechanism alone. Here, we ascribe this difference to a proximity-induced magnetic layer at the Tm 3 Fe 5 O 12 /Pt interface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Dawn-dusk asymmetries in the low-latitude boundary layer arising from the Kelvin-Helmholtz instability: A particle simulation

Along the low-latitude boundary layer (LLBL), the Kelvin-Helmholtz (K-H) instability can provide a means for injection of solar wind plasma across closed field lines of the magnetosphere. A fully electromagnetic, two-dimensional (three-velocity) particle code is used to investigate dawn-dusk asymmetries that can arise from velocity differences due to gradient drifts and electric field gradients, and ion acceleration across the narrow field transition layers in the dawn and dusk flanks. The model includes the dawn and dusk sides of the LLBL simultaneously in a slab geometry, incorporating seperate populations of ions and electrons for the magnetosphere and the magnetosheath plasmas. We report several effects: (1) asymmetries in the observed morphology of the turbulent structures, with familiar fluidlike vortex formation on the duskside, but tongues of magnetosheath plasma penetrating into the magnetosphere on the dawnside; (2) the formation of discrete current layers, characterized by strong currents and sharp gradients in the magnetic field, and discrete charge layers, having net charges and constant, weaker currents; (3) increasing asymmetry in dawn/dusk behavior with a decrease of initial currents; (3) increasing asymmetry in dawn/dusk behavior with a decrease of initial boundary layer width; and (4) enhancement of the dawn-to-dusk electric field as magnetosheath particles and momenta are transported across the magnetopause.

Wilber, M.↗

Temperature gradient and electric field driven electrostatic instabilities

The stability of electrostatic waves to thermodynamic and electric potential gradients was investigated. It is shown that thermodynamic gradients drive instabilities even when the internal electric field vanishes. Skewing of the distribution function is not included in the dielectric.

Morrison, P. J.↗

Oxygen Ion Heat Rate within Alfvenic Turbulence in the Cusp

The role that the cleft/cusp has in ionosphere-magnetosphere coupling makes it a dynamic and important region. It is directly exposed to the solar wind, making it possible for the entry of electromagnetic energy and precipitating electrons and ions from dayside reconnection and other dayside events. It is also a significant source of ionospheric plasma, contributing largely to the mass loading of the magnetosphere with large fluxes of outflowing ions. Crossing the cusp/cleft near 5100 km, the Polar instruments observe the common correlation of downward Poynting flux, ion energization, soft electron precipitation, broadband extremely low-frequency (BB-ELF) emissions, and density depletions. The dominant power in the BB-ELF emissions is now identified to be from spatially broad, low frequency Alfv nic structures. For a cusp crossing, we determine using the Electric Field Investigation (EFI), that the electric and magnetic field fluctuations are Alfv nic and the electric field gradients satisfy the inequality for stochastic acceleration. With all the Polar 1996 horizontal crossings of the cusp, we determine the O+ heating rate using the Thermal Ion Dynamics Experiment (TIDE) and Plasma Wave Investigation (PWI). We then compare this heating rate to other heating rates assuming the electric field gradient criteria exceeds the limit for stochastic acceleration for the remaining crossings. The comparison suggests that a stochastic acceleration mechanism is operational and the heating is controlled by the transverse spatial scale of the Alfvenic waves.

Coffey, Victoria N.↗

Particle Segregation in a Flowing Suspension Subject to High-Gradient Strong Electric Fields

The widespread use of electro-hydrodynamic devices and processes emphasizes a critical need for developing a comprehensive predictive theory capable of improving our fundamental understanding of the behavior of a suspension subject to an AC electric field and shear, and of facilitating the design and optimization of such devices. The currently favored approach to the qualitative interpretation of the AC field driven manipulation of suspensions is based on a model which considers only the force exerted on a single particle by an external field and neglects the field-induced and hydrodynamic interparticle interactions both being inversely proportional to the interparticle distance raised to the power three. On the other hand, the purpose of the field-induced separation is to concentrate particles in certain regions of a device. This clearly raises the fundamental question regarding the extent to which we can neglect these slow decaying electrical and hydrodynamic collective interactions and rely on the predictions of a single-particle model. Another important issue that still remains open is how to characterize the polarization of a particle exposed to a strong electric field. The presentation will address both these questions. Experiments were conducted in a parallel-plate channel in which a 10(exp -3) (v/v) suspension of heavy, positively polarized Al2O3 spheres was exposed to an AC field under conditions such that the field lines were arranged in the channel cross-section perpendicular to the streamlines of the main flow. To reduce the effects of the gravitational settling of the particles, the channel was slowly rotated (4 rpm) around a horizontal axis. Following the application of a high-gradient strong AC field (approx. kV/mm), the particles were found to move towards both the high-voltage (HV) and grounded (GR) electrodes and to form 'bristles' along their edges.

Acrivos, Andreas↗

Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations

The high computational scaling with the basis set size and the number of correlated electrons is a bottleneck limiting applications of coupled cluster algorithms, in particular for calculations based on two- or four-component relativistic Hamiltonians, which often employ uncontracted basis sets. This problem may be alleviated by replacing canonical Hartree–Fock virtual orbitals by natural orbitals (NOs). Here, in this paper, we describe the implementation of a module for generating NOs for correlated wavefunctions and, in particular, second order Møller–Plesset perturbation frozen natural orbitals (MP2FNOs) as a component of our novel implementation of relativistic coupled cluster theory for massively parallel architectures [Pototschnig et al. J. Chem. Theory Comput. 17, 5509, (2021)]. Our implementation can manipulate complex or quaternion density matrices, thus allowing for the generation of both Kramers-restricted and Kramers-unrestricted MP2FNOs. Furthermore, NOs are re-expressed in the parent atomic orbital (AO) basis, allowing for generating coupled cluster singles and doubles NOs in the AO basis for further analysis. By investigating the truncation errors of MP2FNOs for both the correlation energy and molecular properties—electric field gradients at the nuclei, electric dipole and quadrupole moments for hydrogen halides HX (X = F–Ts), and parity-violating energy differences for H 2 Z 2 (Z = O–Se)—we find MP2FNOs accelerate the convergence of the correlation energy in a roughly uniform manner across the Periodic Table. It is possible to obtain reliable estimates for both energies and the molecular properties considered with virtual molecular orbital spaces truncated to about half the size of the full spaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shaped Beams from Diamond Field-Emitter Array Cathodes

Diamond field-emitter arrays (DFEAs) are arrays of diamond pyramids with exquisitely sharp tips and micrometer-scale bases that produce high current densities. These arrays can be fabricated in arbitrary shapes, ranging from single tips to many millions of tips, so that they produce an inherently shaped electron beam. Each tip emits a modest current, but the large dense array can produce many Amps. We are investigating these cathodes for use in dielectric wakefield accelerators; however, they may also be applicable to vacuum microwave tubes. Recently, shaped beam production and transport have been demonstrated in the 1.3-GHz RF gun at the Argonne Cathode Test Stand at the Argonne National Laboratory. The charge was measured on a Faraday cup and the beam imaged on a YAG screen with peak electric field gradients on the cathode ranging from 12 to 35 MV/m. Three cathode geometries were tested: one 1-mm equilateral triangle with 7-mu m base pyramids and 10-mu m pitch, one 1-mm equilateral triangle with 10-mu m base and 25-mu m pitch, and one sparse 5 x 5 square array with 20-mu m base and 400-mu m pitch. The two triangular arrays emitted 35 nC in an RF macropulse at 35 MV/m and 13-nC charge at 27 MV/m, respectively, while the sparse array emitted 0.060-nC charge at 15 MV/m. This article presents the results of the triangular array experiments, including damage due to breakdown in the RF gun and initial models of tip-to-tip shielding.

Cathodes↗

Using Electrostriction to Manipulate Ullage in Microgravity

A report proposes to use electrostriction to manipulate the ullage in a tank containing a dielectric liquid in a microgravitational environment. In the original intended application, the liquid would be a spacecraft propellant and the goal would be to force the ullage (comprising bubbles of noncondensible gas) to coalesce at one end of the tank, to enable use of one of the established means of (1) measuring the position of the gas/liquid interface and (2) inferring the quantity of liquid from the measurement. Electrically insulated wires would be installed in the tank, shaped and positioned so that application of a suitably high potential (e.g., 1 kV) between adjacent wires in successive pairs would give rise to a sufficient electric field gradient along the tank. The resulting electrostriction in the liquid would give rise to a pressure gradient that would force the ullage toward the low-electric-field-magnitude end of the tank. The feasibility of this proposal was demonstrated in an experiment in a tank containing liquid helium aboard an airplane flying a low-gravity arc. The ullage-segregating electrostrictive effect is expected to be considerably greater in other liquids.

Chui, Talso↗

Spin Squeezing as a Probe of Emergent Quantum Orders

Nuclear magnetic resonance (NMR) experiments can reveal local properties in materials, but are often limited by the low signal-to-noise ratio. Spin squeezed states have an improved resolution below the Heisenberg limit in one of the spin components, and have been extensively used to improve the sensitivity of atomic clocks, for example [1]. Interacting and entangled spin ensembles with non-linear coupling are a natural candidate for implementing squeezing. Furthermore, we propose measurement of the spin-squeezing parameter that itself can act as a local probe of emergent orders in quantum materials. In particular, we demonstrate how to investigate an anisotropic electric field gradient via its coupling to the nuclear quadrupole moment. While squeezed spin states are pure, the squeezing parameter can be estimated for both pure and mixed states. We evaluate the range of fields and temperatures for which a thermal-equilibrium state is sufficient to improve the resolution in an NMR experiment and probe relevant parameters of the quadrupole Hamiltonian, including its anisotropy.

36 MATERIALS SCIENCE↗

Electric currents in the subsolar region of the Venus lower ionosphere

The ion and electron momentum equations, along with Ampere's law, are solved for the ion and electron drift velocities and the electric field in the subsolar Venus ionosphere, assuming a partially ionized gas and a single ion species having the ion mean mass. All collision terms among the ions, electrons and neutral particles are retained in the equations. A general expression for the evolution of the magnetic field is derived and compared with earlier expressions. Subsolar region data in the altitude range 150-300 km from the Pioneer Venus Orbiter are used to calculate altitude profiles of the components of the current due to the electric field, gradients of pressure, and gravity. Altitude profiles of the ion and electron velocities as well as the electric field, electrodynamic heating, and the energy density are determined. Only orbits having a complete set of measured plasma temperatures and densities, neutral densities, and magnetic field were considered for analysis; the results are shown only for orbit 202. The vertical velocity at altitudes above 220 km is upgoing for orbit 202. This result is consistent with observations of molecular ions at high altitudes and of plasma flow to the nightside, both of which require upward velocity of ions from the dayside ionosphere. Above about 230 km the momentum equations are extremely sensitive to the altitude profiles of density, temperature, and magnetic field.

Cole, K. D.↗