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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 415 records · Page 23

Tooling assembly and method for explosively forming features in a thin-walled cylinder

The present invention provides a method of explosively forming a helical tube from at least one thin-walled cylinder using a tooling assembly. The method includes inserting the at least one thin-walled cylinder into a die of the tooling assembly. The die surrounds the at least one thin-walled cylinder and includes an interior surface that defines a helical thread pattern. The method further includes surrounding the at least one thin-walled cylinder and the die with a casing of the tooling assembly. A cavity is defined by the casing and the thin-walled cylinder. The method further includes positioning an explosive charge within the cavity. The method additionally includes at least partially submerging the tooling assembly. The method further includes detonating the explosive charge. As a result, the at least one thin-walled cylinder is formed into a helical tube that corresponds with helical thread pattern of the interior surface of the die.

Eberl, Kurt R.↗

Phase stability in the two-dimensional anisotropic boson Hubbard Hamiltonian

The two dimensional square lattice hard-core boson Hubbard model with near neighbor interactions has a ‘checkerboard’ charge density wave insulating phase at half-filling and sufficiently large intersite repulsion. When doped, rather than forming a supersolid phase in which long range charge density wave correlations coexist with a condensation of superfluid defects, the system instead phase separates. However, it is known that there are other lattice geometries and interaction patterns for which such coexistence takes place. In this paper we explore the possibility that anisotropic hopping or anisotropic near neighbor repulsion might similarly stabilize the square lattice supersolid. Lastly, by considering the charge density wave structure factor and superfluid density for different ratios of interaction strength and hybridization in the ˆx and ˆy directions, we conclude that phase separation still occurs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electrostatic Kelvin-Helmholtz instability in a radially injected plasma cloud

An elecrostatic finite-sized particle simulation model is used to study the early time-scale phenomena asociated with an impulsively injected plasma, expanding radially, normal to a strong ambient magnetic field. Results of the simulation show the early formation of a radial polarization electric field due to ion-electron charge separation which causes electrons to drift in the azimuthal direction. Velocity shear within this motion gives rise to a Kelvin-Helmholtz (dioxotron) instability, creating a radial fluted pattern as the plasma expands. In the nonlinear stage of instability, azimuthal variations in the electric field are observed which cause electrons to drift across the magnetic field, thereby reducing the space charge created by energetic ion expansion. The results of a linear stability analysis reveal that for a decreasing amount of charge separation in the plasma, the number of unstable azimuthal modes at maximum growth rate increases. Also, as the thickness of the electron ring increases, a fewer number of unstable modes develops for a given amount of charge separation. It is concluded that electrons become unstable at the very early time scale, within an ion gyroperiod, and that unstable electrons lead to modification of the ion dynamics.

Sydora, R. D.↗

Visualizing Charge Transport and Nanoscale Electrochemistry by Hyperspectral Kelvin Probe Force Microscopy

Charge-transport and electrochemical processes are heavily influenced by the local microstructure. Kelvin probe force microscopy (KPFM) is a widely used technique to map electrochemical potentials at the nanometer scale; however, it offers little information on local charge dynamics. In this study, we implement a hyperspectral KPFM approach for spatially mapping bias-dependent charge dynamics in timescales ranging from the sub-millisecond to the second regime. As a proof of principle, we investigate the role mobile surface charges play in a three-unit-cell LaAlO 3 /SrTiO 3 oxide heterostructure. We explore machine learning approaches to assist with visualization, pattern recognition, and interpretation of the information-rich data sets. Linear unmixing methods reveal hidden bias-dependent interfacial processes, most likely water splitting, which are essentially unnoticed by functional fitting of the dynamic response alone. Hyperspectral KPFM will be beneficial for investigating nanoscale charge transport and local reactivity in systems involving a possible combination of electronic, ionic, and electrochemical phenomena.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic electron correlations with charge order wavelength along all directions in the copper oxide plane

In strongly correlated systems the strength of Coulomb interactions between electrons, relative to their kinetic energy, plays a central role in determining their emergent quantum mechanical phases. We perform resonant x-ray scattering on Bi 2 Sr 2 CaCu 2 O 8+δ , a prototypical cuprate superconductor, to probe electronic correlations within the CuO 2 plane. We discover a dynamic quasi-circular pattern in the x-y scattering plane with a radius that matches the wave vector magnitude of the well-known static charge order. Along with doping- and temperature-dependent measurements, our experiments reveal a picture of charge order competing with superconductivity where short-range domains along x and y can dynamically rotate into any other in-plane direction. This quasi-circular spectrum, a hallmark of Brazovskii-type fluctuations, has immediate consequences to our understanding of rotational and translational symmetry breaking in the cuprates. We discuss how the combination of short- and long-range Coulomb interactions results in an effective non-monotonic potential that may determine the quasi-circular pattern.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Implications of Successes and Failures of BEV-Focused Incentive Support for PEVs in the U.S., Canada and Europe

An international comparative analysis of causes of variation of PEV sales rates per capita in selected U.S. states, Canadian provinces, and European Nations is conducted. 2014-15 light-duty PEV registrations/sales by make and model are examined, drawing heavily on 2014 data for aggregate comparisons. States, provinces, and nations with PEV success, but with widely varying PEV purchase incentives and charging infrastructure installations are examined. The paper focuses particularly presence or absence of long daily distance charging options for PEVs. Four questions are addressed. (1) European evidence is that PHEV powertrains are a very marketable option for large family vehicles. For small BEVs BMW i3 sales patterns indicate that range extension beyond 120 km but less than 240 km via gasoline significantly increases market share. BEV inter-city functionality provided by aggressive installation of DC fast charging was critical to overall PEV success in Norway. Norway, like Northern Europe and Canada has a utility network that is winter peaking, which allows provision of peak summer BEV long-distance charging needs without difficulty. This is not the case for the U.S., which is summer peaking. The reviewed states, provinces, and nations vary considerably in seasonal peak temperature extremes. These climate differences have a significant bearing on the local viability of PHEVs vs. BEVs. The long distance DC fast charging infrastructure investments needed to support BEV market success are not as large when PHEVs are preferred by consumers.

Battery electric vehicle↗

Impact of Different Thermal Gradients on the Dynamics of Cylindrical Lithium-ion Cells Subject to Accelerated Aging and on Module Performance

This study investigates the impacts of applying different thermal gradient patterns to cylindrical lithium-ion cells in a module on cell dynamics (temperatures, current flows, state of charge), module performance (evolution of resistance, capacity, and energy versus cycle number), and module lifetime. The thermal gradients were generated using cooling plates (CPs) with three different flow-field designs, namely, straight, perpendicular, and U-turn. The study uses computational fluid dynamics (CFD), the pseudo-two-dimensional (P2D) battery model, capacity loss and increased impedance due to the growth of a solid-electrolyte-interphase, and the electric current distribution from module terminals to cells that depends on the series-parallel electrical connections among the cells. The impact of the thermal gradient (resulting from the CP designs) on the variability in resistance, current, state of charge, and voltage among the cells was analyzed and linked to differences in the module's performance. Applying a thermal gradient to parallel-connected strings of series-connected cells led to variation in the current through each parallel string and an imbalance in the voltage of series-connected cells. Module performance is poorer when the thermal gradient causes a voltage imbalance than when it causes a current imbalance. Module performance becomes the worst when both current variation and voltage imbalance happen together. For instance, the module's lifetime (estimated as reaching 80% of its initial capacity) varied by 5% to 17.5%, depending on the magnitude and pattern of the imposed thermal gradient. As the relative orientation between thermal gradients and cells' electrical connectivity influences the module's performance, appropriate consideration should be given to the choice of the CP, especially if large thermal gradients are allowed.

Battery thermal management↗

Three-dimensional patterns in dielectric barrier discharge with “H” shaped gas gap

Three-dimensional (3D) patterns are obtained for the first time in dielectric barrier discharge by a special designed device with “H” shaped gas gap which consists of a single gas layer gap and two double gas layer gaps. Three dimensional spatiotemporal characteristics of discharge are investigated by photomultiplier and intensified charge-coupled device camera. Results show that the discharge first generates in the single gas layer gap and the coupled filaments in the double gas layer gap present the simultaneity characteristics. The formation of 3D patterns is determined by the distribution of the effective field of the applied field and the wall charge field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Regiospecific N -alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors

The rapid development of non-fullerene acceptors (NFAs) with strong near-infrared absorption has led to remarkably enhanced short-circuit current density (J sc ) values in organic solar cells (OSCs). NFAs based on the benzotriazole (Bz) fused-ring π-core have great potential in delivering both high J sc and decent open-circuit voltage values due to their strong intramolecular charge transfer with reasonably low energy loss. Here in this work, we have designed and synthesized a series of Bz-based NFAs, PN6SBO-4F, AN6SBO-4F and EHN6SEH-4F, via regiospecific N-alkyl engineering based on the high-performance NFA mBzS-4F that was reported previously. The molecular packing of mBzS-4F, AN6SBO-4F, and EHN6SEH-4F single crystals was analyzed using X-ray crystallography in order to provide a comprehensive understanding of the correlation between the molecular structure, the charge-transporting properties, and the solar cell performance. Compared with the typical honeycomb single-crystal structure of Y6 derivatives, these NFAs exhibit distinctly different molecular packing patterns. The strong interactions of terminal indanone groups in mBzS-4F and the J-aggregate-like packing in EHN6SEH-4F lead to the formation of ordered 3D networks in single-crystals with channels for efficient charge transport. Consequently, OSCs based on mBzS-4F and EHN6SEH-4F show efficient photon-to-current conversions, achieving the highest power conversion efficiency of 17.48% with a Jsc of 28.83 mA cm -2 .

36 MATERIALS SCIENCE↗

Development of a scanning time of flight microscope and its application to the study of charge transport in phase separated structured organic semiconductors

We describe a tool for studying the two-dimensional spatial variation in electronic properties of organic semiconductors: the scanning time-of-flight microscope (STOFm). The STOFm simultaneously measures the transmittance of polarized light and time-of-flight current transients with a pixel size <30 μm, making it especially valuable for studies of the correlations of structure with charge generation and transport in liquid crystalline organic semiconductors (LC OSCs). Adapting a previously developed photopolymerization technique, we characterize the instrument using patterned samples of a LC OSC bounded by a non-semiconducting polymer matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Phase‐Dependent Band Gap Engineering in Alloys of Metal‐Semiconductor Transition Metal Dichalcogenides

Abstract Bandgap engineering plays a critical role in optimizing the electrical, optical and (photo)‐electrochemical applications of semiconductors. Alloying has been a historically successful way of tuning bandgaps by making solid solutions of two isovalent semiconductors. In this work, a novel form of bandgap engineering involving alloying non‐isovalent cations in a 2D transition metal dichalcogenide (TMDC) is presented. By alloying semiconducting MoSe 2 with metallic NbSe 2 , two structural phases of Mo 0.5 Nb 0.5 Se 2 , the 1T and 2H phases, are produced each with emergent electronic structure. At room temperature, it is observed that the 1T and 2H phases are semiconducting and metallic, respectively. For the 1T structure, scanning tunneling microscopy/spectroscopy (STM/STS) is used to measure band gaps in the range of 0.42–0.58 at 77 K. Electron diffraction patterns of the 1T structure obtained at room temperature show the presence of a nearly commensurate charge density wave (NCCDW) phase with periodic lattice distortions that result in an uncommon 4 × 4 supercell, rotated approximately 4° from the lattice. Density‐functional‐theory calculations confirm that local distortions, such as those in a NCCDW, can open up a band gap in 1T ‐Mo 0.5 Nb 0.5 Se 2 , but not in the 2H phase. This work expands the boundaries of alloy‐based bandgap engineering by introducing a novel technique that facilitates CDW phases through alloying.

Wang, Shuxi↗

PandaX-III: Searching for neutrinoless double beta decay with high pressure 136 Xe gas time projection chambers

Searching for the neutrinoless double beta decay (NLDBD) is now regarded as the topmost promising technique to explore the nature of neutrinos after the discovery of neutrino masses in oscillation experiments. PandaX-III (particle and astrophysical xenon experiment III) will search for the NLDBD of 136 Xe at the China Jin Ping Underground Laboratory (CJPL). In the first phase of the experiment, a high pressure gas Time Projection Chamber (TPC) will contain 200 kg, 90% 136 Xe enriched gas operated at 10 bar. Fine pitch micro-pattern gas detector (Microbulk Micromegas) will be used at both ends of the TPC for the charge readout with a cathode in the middle. Charge signals can be used to reconstruct the electron tracks of the NLDBD events and provide good energy and spatial resolution. The detector will be immersed in a large water tank to ensure ∼5 m of water shielding in all directions. Furthermore, the second phase, a ton-scale experiment, will consist of five TPCs in the same water tank, with improved energy resolution and better control over backgrounds.

TPC↗

A Closer Look at Tip-Enhanced Raman Chemical Reaction Nanoimages

Tip-enhanced Raman spectroscopy (TERS) is a powerful technique that enables ultrahigh spatial resolution and ultrasensitive chemical imaging. This technique’s ability to track plasmon-induced/enhanced chemical reactions in real space has gained increasing popularity in recent years. Here, in this study, we expose inherent difficulties associated with assigning TERS signatures that accompany chemical transformations. Namely, distinct selection rules as well as the possibility of multiple physical processes/chemical reaction pathways complicate spectral assignments and necessitate caution in assigning the experimental observables. We illustrate the latter using 4,4'-dimercaptostilbene-functionalized plasmonic silver nanocubes, wherein we identify the TERS signatures of product formation, molecular charging, multipolar Raman scattering, and preferred molecular orientations that all lead to distinct and assignable spectral patterns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ionic Liquid Gating of SrTiO 3 Lamellas Fabricated with a Focused Ion Beam

Here, in this work, we combine two previously incompatible techniques for defining electronic devices: shaping three-dimensional crystals by focused ion beam (FIB), and two-dimensional electrostatic accumulation of charge carriers. The principal challenge for this integration is nanometer-scale surface damage inherent to any FIB-based fabrication. We address this by using a sacrificial protective layer to preserve a selected pristine surface. The test case presented here is accumulation of 2D carriers by ionic liquid gating at the surface of a micron-scale SrTiO 3 lamella. Preservation of surface quality is reflected in superconductivity of the accumulated carriers. This technique opens new avenues for realizing electrostatic charge tuning in materials that are not available as large or exfoliatable single crystals, and for patterning the geometry of the accumulated carriers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Combined photoelectron, collision-induced dissociation, and computational studies of parent and fragment anions of N-paranitrophenylsulfonylalanine and N-paranitrophenylalanine

After synthesizing the compounds N-paranitrophenylsulfonylalanine (NPNPSA) and N-paranitrophenylalanine (NPNPA), the photoelectron spectrum of the valence anion of N-paranitrophenylsulfonylalanine (NPNPSA){sup −}, was measured and the collision-induced dissociation (CID) pathways of deprotonated N-paranitrophenylsulfonylalanine (NPNPSA-H){sup −} and deprotonated N-paranitrophenylalanine (NPNPA-H){sup −} were determined. Pertinent calculations were conducted to analyze both sets of experimental data. From the valence anion photoelectron spectrum of (NPNPSA){sup −}, the adiabatic electron affinity (AEA) of NPNPSA was determined to be 1.7 ± 0.1 eV, while the vertical detachment energy (VDE) of (NPNPSA){sup −} was found to be 2.3 ± 0.1 eV. Calculations for four low lying conformers of (NPNPSA){sup −} gave AEA values in the range of 1.6–2.1 eV and VDE values in the range of 2.0–2.4 eV. These calculations are in very good agreement with the experimental values. While the NPNPA anion (NPNPSA){sup −} was not observed experimentally it was studied computationally. The six low lying (NPNPSA){sup −} conformers were identified and calculated to have AEA values in the range of 0.7–1.2 eV and VDE values in the range of 0.9–1.6 eV. CID was used to study the fragmentation patterns of deprotonated NPNPA and deprotonated NPNPSA. Based on the CID data and calculations, the excess charge was located on the delocalized π-orbitals of the nitrobenzene moiety. This is made evident by the fact that the dominant fragments all contained the nitrobenzene moiety even though the parent anions used for the CID study were formed via deprotonation of the carboxylic acid. The dipole-bound anions of both molecules are studied theoretically using the results of previous studies on nitrobenzene as a reference.

74 ATOMIC AND MOLECULAR PHYSICS↗

Plasmon resonant amplification of hot electron-driven photocatalysis

We discuss plasmon resonant excitation of hot electrons in a metal based photocatalyst in the oxygen evolution half reaction in aqueous solution. In this report, the photocatalyst consists of a 100-nm thick Au film deposited on a corrugated silicon substrate. Here, hot electrons photoexcited in the metal are injected into the solution, ultimately reversing the water oxidation reaction (O 2 +4H + +4e–⇌2H 2 O) and producing a photocurrent. In order to amplify this process, the gold electrode is patterned into a plasmon resonant grating structure with a pitch of 500 nm. The photocurrent (i.e., charge transfer rate) is measured as a function of incident angle using 633 nm wavelength light. We observe peaks in the photocurrent at incident angles of ±9° from normal when the light is polarized parallel to the incident plane (p-polarization) and perpendicular to the lines on the grating. Due to these peaks, we estimate an overall plasmonic gain (or amplification) factor of 2.1× in the charge transfer rate. At these same angles, we also observe sharp dips in the photoreflectance, corresponding to the condition when there is wavevector matching between the incident light and the plasmon mode in the grating. No angle dependence is observed in the photocurrent or photoreflectance when the incident light is polarized perpendicular to the incident plane (s-polarization) and parallel to the lines on the grating. Finite difference time domain simulations also predict sharp dips in the photoreflectance at ±9°, and the electric field intensity profiles show clear excitation of a plasmon-resonant mode when illuminated at those angles with p-polarized light.

42 ENGINEERING↗

The thermohaline driving mechanism of oceanic jet streams

In a series of publications dealing with the circulation of the North Atlantic, Worthington (1959, 1972, 1976, 1977) has challenged the widely accepted notion that the Gulf Stream system is entirely wind-driven. He was able to demonstrate that the Gulf Stream over its most intense portion south of New England generally intensifies in winter. Worthington postulates that strong surface cooling in winter is the cause of Gulf Stream intensification, i.e., he believes that a thermal mechanism is partially responsible for driving the Gulf Stream. Worthington speaks of 'anticyclogenesis' and of a 'fresh charge of energy' which the Gulf Stream receives at the end of each (severe) winter. A pattern of thermoline circulation arising in the upper layers of the Stream could play a role similar to that of the Hadley circulation in the atmosphere, which derives the subtropical jet stream. The present investigation is concerned with the examination of such a possibility, taking into account the employment of a two-layer model.

Csanady, G. T.↗

Hybrid Infrared Imager

Experimental device has low noise and high uniformity. Infrared imaging device combines array of InSb photodetectors with array of silicon field-effect-transistor switches. InSb chip forms roof over Si chip, each InSb detector cell engaging indium bump on corresponding Si switch cell below it. FET switches in 128-by-128 array turn on in sequence, read out charges on 128-by-128 array of photodetectors and multiplex them in serial output that represents pattern of light on array of photodetectors. Useful in sensitive infrared cameras for astronomy, medicine, inspection, and military surveillance. Reads out image data at rates up to 10 MHz and expands to 256-by-256 array.

Bailey, Gary C.↗