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At least 235 records · Page 13

Plasmaspheric Plume Turbulence: Signature of an Electrostatic Corotation Convection Shear-Layer Instability

As demonstrated by IMAGE-EUV observations, plasmaspheric drainage plumes are a common feature emanating from the plasmasphere during periods of enhanced convection. Concurrent IMAGE-EUV and LANL-MPA observations reveal that plasmaspheric plumes are not a uniform density structure that extends out to geosynchronous orbit and beyond. Instead, in–situ observations reveal a large spatial-scale structure populated by small-scale density structures suggestive of the presence of a turbulent process. Here, we investigate the occurrence and nature of plasmaspheric drainage plumes as observed by concurrent EUV-MPA observations, as well as explore the possibility that the in–situ observed small-scale density structures are the signature of an instability produced by the sheared velocity found within the plasmaspheric layers separating the corotation of the main plasmasphere from the convection-driven flow generating the plume. Particle-in-cell simulations indicate that the generation of shear-flow driven instabilities is possible under plasmaspheric plasma conditions. The initial results of these simulations indicate that the plasmaspheric instabilities generated are electrostatic in nature, consist with in–situ plume observations.

Mark L Adrian↗

Application of the Spectral Element Method to Acoustic Radiation

This report summarizes research to develop a capability for analysis of interior noise in enclosed structures when acoustically excited by an external random source. Of particular interest was the application to the study of noise and vibration transmission in thin-walled structures as typified by aircraft fuselages. Three related topics are focused upon. The first concerns the development of a curved frame spectral element, the second shows how the spectral element method for wave propagation in folded plate structures is extended to problems involving curved segmented plates. These are of significance because by combining these curved spectral elements with previously presented flat spectral elements, the dynamic response of geometrically complex structures can be determined. The third topic shows how spectral elements, which incorporate the effect of fluid loading on the structure, are developed for analyzing acoustic radiation from dynamically loaded extended plates.

Doyle, James F.↗

Nickel-rich Nickel Manganese Cobalt (NMC622) Cathode Lithiation Mechanism and Extended Cycling Effects Using Operando X-ray Absorption Spectroscopy

Ni-rich NMC materials are a particularly promising class of Li-ion cathodes for various applications. LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622) offers a unique balance of thermal stability and energy density, thus attracting attention for electric vehicle implementation. However, upon extended cycling, capacity fade is prevalent due to structural degradation, which is a major drawback for layered oxide cathodes. Therefore, exploring the underlying phenomena that drive detrimental structural response can lead to future improvements. For the first time, operando X-ray absorption spectroscopy (XAS) was performed on NMC622 pouch cells at three different stages. An extensive description of the first cycle (de)lithiation mechanisms was achieved through X-ray absorption near-edge structure analyses and extended X-ray absorption fine structure modeling. Transition metal specific electrochemical participation and structural variation revealed that much of the delivered capacity and distortion is a result of Ni redox behavior, while the local structure of Co and Mn are impacted due to their interdependencies. Key mechanistic components were identified, as the local structural variation from redox processes and Ni 3+ Jahn–Teller distortion were decoupled. Further, operando XAS was used to investigate the structural response of NMC622 to extended cycling and was supported by X-ray diffraction, X-ray photoelectron spectroscopy, and electrochemical impedance spectroscopy analyses. In this work, reduced capacity was found in the cell after 100 cycles and is attributed to structural degradation and cathode–electrolyte interphase buildup from repeated Li (de)insertion processes, which limit the electrochemical reversibility of Ni and Co through increased polarization. These results expand the understanding of a Ni-rich NMC material under extended cycling, which is vital to the future design of electrode materials.

25 ENERGY STORAGE↗

Mutation-driven RRE stem-loop II conformational change induces HIV-1 nuclear export dysfunction

Abstract The Rev response element (RRE) forms an oligomeric complex with the viral protein Rev to facilitate the nuclear export of intron-retaining viral RNAs during the late phase of HIV-1 (human immunodeficiency virus type 1) infection. However, the structures and mechanisms underlying this process remain largely unknown. Here, we determined the crystal structure of the HIV-1 RRE stem-loop II (SLII), revealing a unique three-way junction architecture in which the base stem (IIa) bifurcates into the stem-loops (IIb and IIc) to compose Rev binding sites. The crystal structures of various SLII mutants demonstrated that while some mutants retain the same “compact” fold as the wild type, other single-nucleotide mutants induce drastic conformational changes, forming an “extended” SLII structure. Through in vitro Rev binding assays and Rev activity measurements in HIV-1-infected cells using structure-guided SLII mutants designed to favor specific conformers, we showed that while the compact fold represents a functional SLII, the alternative extended conformation inhibits Rev binding and oligomerization and consequently stimulates HIV-1 RNA nuclear export dysfunction. The propensity of SLII to adopt multiple conformations as captured in crystal structures and their influence on Rev oligomerization illuminate emerging perspectives on RRE structural plasticity-based regulation of HIV-1 nuclear export and provide opportunities for developing anti-HIV drugs targeting specific RRE conformations.

Biochemistry & Molecular Biology↗

Raylike Structures in the Solar Corona

Recent white light images from the large-angle spectroscopic coronagraph (LASCO) on the Solar and Heliospheric Observatory (SoHO) have revealed almost radially extending coronal structures out to serveral solar raddi which fill the corona at all latitudes, except when they are overshadowed by streamers.

corona Sun raylike structures↗

Ionization cones and radio ejecta in active galaxies

We report radio mapping at three frequencies of the Seyfert 2 galaxy NGC 5252, which is known to exhibit a spectacular pair of 'ionization cones' in optical emission-line images. The radio structure of the galaxy comprises an unresolved (less than 50 pc) source coincident with the optical nucleus, weak, narrow features extending approximately equal to 900 pc to north and south from the nucleus, and an unresolved radio source some 10 kpc from the nucleus. The inner parts of the extended radio structure and the off-nuclear source align well with the axis of the ionization cones. There are currently 11 Seyfert galaxies known to possess an ionization cone or a bi-cone; 8 of these galaxies also contain a linear (double, triple, or jet-like) nuclear radio structure. For this limited, incomplete sample, there is a tight alignment between cone and radi axes: the formal mean difference between the measured projections of these axes on the sky is only 6 deg, and the alignment may well be better than this at the location(s) closer to the nucleus where the collimation occurs. Although the degree of collimation is much worse for the ionizing photons than for the radio plasma, it is clear that they are collimated by the same, or coplanar, nulcear disks or tori. In particular, if the ionization cones result from absorption by dusty tori on the pc scale and the radio ejecta from accretion disks around the central black hole, the absence of differential precession indicates that either the gravitating mass distribution is close to spherical or the dusty torus has settled into a preferred plane. The cones currently known in late-type (but not early-type) spirals show a trend to align with the axis of the galaxy stellar disk. We argue that this alignment is either an observational selection effect or indicates that the gas accreted to power the nuclear activity has an internal origin in late-type spirals, but may have an external origin (e.g., a galaxy merger) in early-types. .

Wilson, A. S.↗

Establishing substitution rules of functional groups for high-capacity organic anode materials in Na-ion batteries

Tailoring molecular structures of organic electrode materials (OEMs) can enhance their performance in Na-ion batteries, however, the substitution rules and the consequent effect on the specific capacity and working potential remain elusive. Herein, by examining three sodium carboxylates with selective N substitution or extended conjugation structure, we exploited the correlation between structure and performance to establish substitution rules for high-capacity OEMs. Our results show that substitution position and types of functional groups are essential to create active centers for uptake/removal of Na+ and thermodynamically stabilize organic structures. Furthermore, rational host design and electrolytes modulation were performed to extend the cycle life to 500 cycles. A full cell based on the optimal 2,2’-bipyridine-4,4’-dicarboxylic acid disodium salt anode and the polyaniline cathode is demonstrated to confirm the feasibility of achieving all-organic batteries. Lastly, this work provides a valuable guideline for the design principle of high-capacity and stable OEMs for sustainable energy storage.

25 ENERGY STORAGE↗

Manipulating meso-scale solvent structure from Pd nanoparticle deposits in deep eutectic solvents

Deep Eutectic Solvents (DESs) are complex solutions that present unique challenges compared to traditional electrolytes. Unlike most electrolytes and ionic liquids, DESs have delicate hydrogen bond networks that are responsible for their highly sensitive compositional dependence on the melting point. Prior work has demonstrated unique nanoscale structure both experimentally and theoretically that brings both challenges and opportunities to their adoption in traditional electrochemical processes. In this study, we use in-situ sample-rotated ultra-small angle X-ray scattering to resolve the near-interface solvent structure after electrodepositing Pd nanoparticles onto a glassy carbon electrode in choline chloride:urea and choline chloride:ethylene glycol DESs. Our results indicate that solvent structure can be observed on the meso-scale in the choline chloride:urea and choline chloride:ethylene glycol systems. Importantly, this extended solvent structure peaks at -0.5 V (vs. Ag/AgCl) and decreases slightly with higher overpotentials during Pd electrodeposition. Experimentally, the nature of this structure is more pronounced in the ethylene glycol system, as evidenced by both the X-ray scattering as well as the electrochemical impedance spectroscopy (EIS). Here, molecular dynamics simulations and dipolar orientation analysis reveal that chloride delocalization near the Pd interface and long-range interactions between the choline and each hydrogen bond donor are very different and qualitatively consistent with the experimental data. These results show how the long-range solvent-deposit interactions can be tuned by changing the hydrogen bond donor in the DES and the applied potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kinetically Controlled Linker Binding in Rare Earth-2,5-Dihydroxyterepthalic Acid Metal–Organic Frameworks and Its Predicted Effects on Acid Gas Adsorption

In the pursuit of highly stable and selective metal–organic frameworks (MOFs) for the adsorption of caustic acid gas species, an entire series of rare earth MOFs have been explored. Each of the MOFs in this series (RE-DOBDC; RE = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu; DOBDC = 2,5-dihydroxyterepthalic acid) was synthesized in the tetragonal space group I4/m. Crystallized MOF samples, specifically Eu-DOBDC, were seen to have a combination of monodentate and bidentate binding when synthesized under typical reaction conditions, resulting in a contortion of the structure. However, extended crystallization times determined that this binding is kinetically controlled and that the monodentate binding option was crystallographically eliminated by extended reaction times at higher temperatures. Furthermore, this series allows for the direct study of the effect of the metal center on the structure of the of the MOF; herein, the lanthanide metal ionic radii contraction across the periodic table results in a reduction of the MOF pore size and lattice parameters. Scanning electron microscopy–energy-dispersive spectroscopy was used to investigate the stages of crystal growth for these RE-DOBDC MOFs. All MOFs, except Er-DOBDC had a minimum of two stages of growth. These analogues were demonstrated by analysis of neutron diffraction (PND) to exhibit a cooperative rotational distortion of the secondary building unit, resulting in two crystallographically distinct linker sublattices. Computational modeling efforts were used to show distinct differences on acid gas (NO 2 and SO 2 ) binding energies for RE-DOBDC MOFs when comparing the monodentate/bidentate combined linker with the bidentate-only linker crystal structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anode-type double layers in a nonuniform magnetic field

The properties of strong, magnetized, three-dimensional double layers are studied. The double layers are produced by drawing a discharge to a large anode plate located in the diverging magnetic field region of a cylindrical argon discharge. If the anode voltage is sufficiently high, the electrons that are accelerated through the anode sheath may become sufficiently energetic to ionize the background neutral gas and transform the anode sheath into a strong double layer. The resulting conical-shaped structures, which extend outward from the plate, have parallel, oblique, and perpendicular electric field components with respect to the magnetic field. The axial extent of these structures depends on the plate bias voltage, neutral gas pressure, and the magnetic field. At neutral gas pressures of a few millitorr, the double-layer structures are visually apparent because of the enhanced light emission from neutrals excited by the energetic electrons. Color photographs of some of these structures are shown. The scaling of the width of these double layers with electric field components perpendicular to B is also investigated.

Cartier, Steven L.↗

Balanced Placement Of Vibration Sensors And Actuators

Mathematical approach that involves Hankel singular values leads to method for estimation of optimal placement of relatively few vibration sensors and actuators in multivariable flexible structure. Approach extends and complements previous developments regarding approximate decomposition, to Hankel singular values, of singular values of controllability and observability grammian matrices of multivariable flexible structure. Mathematical constructs also described in "Designing An Approximately Balanced LQG Compensator" (NPO-19000).

Gawronski, Wodek↗

Modular repeat protein sculpting using rigid helical junctions

The ability to precisely design large proteins with diverse shapes would enable applications ranging from the design of protein binders that wrap around their target to the positioning of multiple functional sites in specified orientations. We describe a protein backbone design method for generating a wide range of rigid fusions between helix-containing proteins and use it to design 75,000 structurally unique junctions between monomeric and homo-oligomeric de novo designed and ankyrin repeat proteins (RPs). Of the junction designs that were experimentally characterized, 82% have circular dichroism and solution small-angle X-ray scattering profiles consistent with the design models and are stable at 95 °C. Crystal structures of four designed junctions were in close agreement with the design models with rmsds ranging from 0.9 to 1.6 Å. Electron microscopic images of extended tetrameric structures and ~10-nm-diameter “L” and “V” shapes generated using the junctions are close to the design models, demonstrating the control the rigid junctions provide for protein shape sculpting over multiple nanometer length scales.

59 BASIC BIOLOGICAL SCIENCES↗

The dust enshrouded quasar in the ultraluminous galaxy Markarian 463 - Radio, near-infrared, and optical imaging

New imaging data are presented at radio, near-infrared, and optical wavelengths to elucidate the processes associated with the ongoing merger and nuclear activity in Mrk 463. Imaging at 20 cm reveals previously unknown components 4 arcsec north and 18 arcsec south of Mrk 463E, and a source 10 arcsec to the northwest which is believed to be linked to the nuclear region. The western nucleus, Mrk 463W, was detected at 6 and 20 cm; it has a radio luminosity comparable to that of a moderately luminous Seyfert galaxy or a highly luminous starburst galaxy. Near-infrared images at wavelengths less than 2.3 microns show the two nuclei; only Mrk 463E has been detected at 3.7 microns. Brightness profiles of Mrk 463E are unresolved at K and L-prime, but extended at J. It is inferred from the fact that radio continuum components 4-18 kpc from the nucleus are aligned with previously known 0.05-1.5 kpc radio structure and extended conical O-III forbidden omission lines that Mrk 463E is powering weak radio lobes and therefore exemplifies a transition between the confined linear sources in Seyfert galaxies and the extended lobes in classical quasars and radio galaxies.

Mazzarella, J. M.↗

Studies of Nucleation and Growth, Specific Heat and Viscosity of Undercooled Melts of Quasicrystals and Polytetrahedral-Phase-Forming Alloys

The local atomic structures of undercooled liquid metals are presumed to be icosahedral; this order is incompatible with translational periodicity, constituting a barrier to the nucleation of the crystal phase. The extended atomic structure of the icosahedral quasicrystal (i-phase) is similar to that presumed in the undercooled liquid. Therefore, a comparison of the maximum undercooling in alloys that form the i-phase with those that form crystal phases provides a probe of the liquid structure.

Kelton, K. F.↗

Shear Pleasure: The Structure, Formation, and Thermodynamics of Crystallographic Shear Phases

A renaissance of interest in crystallographic shear structures and our recent work in this remarkable class of materials inspired this review. We first summarize the geometrical aspects of shear plane formation and possible transformations in ReO 3 , rutile, and perovskite-based structures. Then we provide a mechanistic overview of crystallographic shear formation, plane ordering, and propagation. Next we describe the energetics of planar defect formation and interaction, equilibria between point and extended defect structures, and thermodynamic stability of shear compounds. Finally, we emphasize the remaining challenges and propose future directions in this exciting area.

Materials Science↗

Optical study of a possible bipolar flow associated with Herbig-Haro 12

The region near HH 12 in NGC 1333 has been imaged at V, R, I, and H-alpha using the CCD detector at the Kitt Peak National Observatory 0.9 m telescope. The H-alpha frame reveals a narrow, sinuous structure which extends over a projected distance of 0.3 pc and which emanates from a star which appears to be a T Tauri object of type M0-M2. Velocities along this structure were obtained both north and south of the star. The morphology of this structure as well as the measured velocities suggest that it may be an optical manifestation of a highly collimated bipolar outflow which excites the object heretofore identified as HH 12.

Strom, K. M.↗

Balanced LQG Compensator for Flexible Structures

The analysis of open-loop balanced flexible structures has been extended for closed-loop structures. The relationships between weights/ variances and characteristic values for the system as well as between weights/variances and plant/estimator pole location are derived in this paper. Thus, the weights can be determined in advance to meet the requirements of a closed-loop system.

flexible↗