Colloidal asbestos fibrils as reinforcements for polymeric structures
Potential reinforcing capabilities of colloidal asbestos fibrils in polymeric structures
POLYMER↗
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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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On the structure of potential vorticity in baroclinic instability
The structure of baroclinic modes is examined in terms of their potential vorticity. Baroclinic instabilities may be viewed as mutually reinforcing interactions between the disturbance potential vorticity at different levels in the atmosphere. A technique is introduced for diagnosing quantitatively which levels of potential vorticity are important in the growth of the instability. Both Charney and Green modes are found to depend on the interaction between the surface thermal anomalies and a thin layer of potential vorticity anomalies centered on the steering level. In the Green modes, the growth is retarded by the influence of the eddy potential vorticity at higher levels. The inclusion of a tropopause in the basic state does not modify the fundamental dynamics of the baroclinic modes in the presence of linear shear.
Robinson, Walter A.↗
The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery
Here, the advent of high-throughput Density Functional Theory (DFT) calculations has supported the creation of large databases containing the quantitative output necessary for constructing theoretical phase diagrams and predicting physical properties. In this Article, we present a complementary resource, the Intermetallic Reactivity Database (IRD), focused on the chemical bonding features of solid-state structures and indicators of potential structural transformations. Each IRD entry augments common features, such as band structures and density of states (DOS) distributions, with chemically motivated information including DFT-Chemical Pressure (CP) schemes and visualizable representations of the atomic charges. Together, these data types enable the rationalization and prediction of potential structural phenomena encountered in intermetallic chemistry, as we illustrate with four examples: the origins of the Y 2 Ni 2 Mg structure in terms of CP features of its parent structures, the anticipation of intergrowth phases from the net atomic CPs collected in Al-containing binary phases, the correlation between trends in the CP schemes of CaCu 5 -type phases and experimentally observed structural variations, and finally, the development of theoretical methodology with the testing of a streamlined method generating DFT-CP schemes. Altogether, these examples highlight how the IRD supports the creation of models of structural chemistry that extend beyond the bounds of its entries.
36 MATERIALS SCIENCE↗
The structure of the diheme cytochrome c4 from Neisseria gonorrhoeae reveals multiple contributors to tuning reduction potentials
Not provided.
Biochemistry & Molecular Biology↗
Improved Surface of Titanium Structure
Potential tooling pickup not acceptable on sandwich panels that have face sheets 0.016 in. (0.41 mm) thick. In this application, problem eliminated by changing tooling slipsheet from type 321 CRES to type 430 stainless steel and coating both slipsheet and face sheet with boron nitride powder and binder thinned in acetone.
Ecklund, R. C.↗
Space Station Freedom structure floating potential and the probability of arcing
The interaction between a space system and the space environment has been one of the driving questions for the design of spacecraft since the dawn of the space age. The Space Station Freedom will represent a significant increase in spacecraft size, power, and activity relative to spacecraft that are currently in orbit. The structure floating potential on Space Station Freedom is studied with simple analytical models of the current collection. The probability of arcing due to dielectric breakdown is assessed.
Hastings, Daniel E.↗
Structure and Potential–Dependent Selectivity in Redox–Metallopolymers: Electrochemically Mediated Multicomponent Metal Separations
Electro-responsive functional materials can play a critical role in selective metal recovery and recycling due to the need for molecular differentiation between transition metals in complex mixtures. Redox-active metallopolymers are a promising platform for electrochemical separations, offering versatile structural tuning and fast electron transfer. First, through a judicious selection of polymer structure between a main-chain metallopolymer (polyferrocenylsilane) and a pendant-group metallopolymer (polyvinylferrocene), charge-transfer interactions and binding strength toward competing metal ions are tuned, which as a result, dictate selectivity. For example, almost an order of magnitude increase in separation factor between chromate and meta-vanadate can be achieved, depending on polymer structure. Second, these metallopolymer electrodes exhibit potential-dependent selectivity that can even flip ion preference, based solely on electrical means—indicating a control parameter that is orthogonal to structural modifications. Finally, this work presents a framework for evaluating electrochemical separations in multicomponent ion mixtures and elucidates the underlying charge-transfer mechanisms resulting in molecular selectivity through a combination of spectroscopy and electronic structure calculations. Furthermore, the findings demonstrate the applicability of redox-metallopolymers in tailored electrochemical separations for environmental remediation, value-added metal recovery, waste recycling, and even mining processing.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Comparison of Electric Fields and Density structures Seen in Simulations and Satellite Observations
There are now clear observations of large parallel electric fields (E(sub ||)) from Polar and FAST in the auroral upward-current region (UCR). Such fields are associated with large perpendicular electric fields (E(sub perpendicular) and density cavities. The observed features of the fields and density are found to be compatible with their spatial structures seen in a simulated U-shaped potential structure (USPS), consisting of double layers (DL) with obliqueness ranging from zero to 90 degrees from the magnetic field. The spatial and temporal evolution of the USPS, its up and down motions and its striations into thin long potential structures, suggest a variety of signatures in the satellite detection of E(sub ||) and E(sub perpendicular)
Singh, Nagendra↗
Contrasting Community Assembly Forces Drive Microbial Structural and Potential Functional Responses to Precipitation in an Incipient Soil System
Microbial communities in incipient soil systems serve as the only biotic force shaping landscape evolution. However, the underlying ecological forces shaping microbial community structure and function are inadequately understood. We used amplicon sequencing to determine microbial taxonomic assembly and metagenome sequencing to evaluate microbial functional assembly in incipient basaltic soil subjected to precipitation. Community composition was stratified with soil depth in the pre-precipitation samples, with surficial communities maintaining their distinct structure and diversity after precipitation, while the deeper soil samples appeared to become more uniform. The structural community assembly remained deterministic in pre- and post-precipitation periods, with homogenous selection being dominant. Metagenome analysis revealed that carbon and nitrogen functional potential was assembled stochastically. Sub-populations putatively involved in the nitrogen cycle and carbon fixation experienced counteracting assembly pressures at the deepest depths, suggesting the communities may functionally assemble to respond to short-term environmental fluctuations and impact the landscape-scale response to perturbations. We propose that contrasting assembly forces impact microbial structure and potential function in an incipient landscape; in situ landscape characteristics (here homogenous parent material) drive community structure assembly, while short-term environmental fluctuations (here precipitation) shape environmental variations that are random in the soil depth profile and drive stochastic sub-population functional dynamics.
16S amplicon sequencing↗
Simulations of auroral plasma processes - Electric fields, waves and particles
Plasma processes driven by current sheets of finite thicknesses in an ambient magnetized plasma are studied using a 2 1/2 dimensional particle-in-cell code, and similarities are found between simulated plasma processes and those observed in the auroral plasma. Current sheets are shown to be bounded by large perpendicular electric fields occurring near their edges above the conducting boundary. Shaped potential structures form when the current sheets are narrow, and when the current sheets are wide, potential structures develop a significant parallel potential drop such that the electrons are accelerated upwards. Downward parallel electric fields of variable strength are noted in the downward current region, and double layer formation is seen in both narrow and wide current sheets. High frequency oscillations near the electron plasma frequency and its harmonic are seen, and low frequency waves are observed.
Singh, Nagendra↗
Two-dimensional quasineutral description of particles and fields above discrete auroral arcs
Stationary hot and cool particle distributions in the auroral magnetosphere are modelled using adiabatic assumptions of particle motion in the presence of broad-scale electrostatic potential structure. The study has identified geometrical restrictions on the type of broadscale potential structure which can be supported by a multispecies plasma having specified sources and energies. Without energization of cool thermal ionospheric electrons, a substantial parallel potential drop cannot be supported down to altitudes of 2000 km or less. Observed upward-directed field-aligned currents must be closed by return currents along field lines which support little net potential drop. In such regions the plasma density appears significantly enhanced. Model details agree well with recent broad-scale implications of satellite observations.
Newman, A. L.↗
A first principles analysis of potential-dependent structural evolution of active sites in Fe-N-C catalysts
Fe-N-C (iron–nitrogen–carbon) electrocatalysts have emerged as potential alternatives to precious metal-based materials for the oxygen reduction reaction (ORR). However, the structure of these materials under electrochemical conditions is not well understood, and their poor stability in acidic environments poses a formidable challenge for successful adoption in commercial fuel cells. To provide molecular-level insights into these complex phenomena, we combine periodic density functional theory (DFT) calculations, exhaustive treatment of coadsorption effects for ORR reaction intermediates, including O and OH, and comprehensive analysis of solvation stabilization effects to construct voltage-dependent ab initio thermodynamic phase diagrams that describe the in situ structure of the active sites. These structures are further linked to activity and stability descriptors that can be compared with experimental parameters such as the half-wave potential for ORR and the onset potential for carbon corrosion and CO 2 evolution. The results indicate that pyridinic Fe sites at zigzag carbon edges, as well as other edge sites, exhibit high activity for ORR compared to sites in the bulk. However, edges neighboring the active sites are prone to instability via overoxidation and consequent site loss. The results suggest that it could be beneficial to synthesize Fe-N-C catalysts with small sizes and large perimeter edge lengths to enhance ORR activity, while voltage fluctuations should be limited during fuel cell operation to prevent carbon corrosion of overoxidized edges.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Hydrogen Bonding in Amorphous Indomethacin
Amorphous Indomethacin has enhanced bioavailability over its crystalline forms, yet amorphous forms can still possess a wide variety of structures. Here, Empirical Potential Structure Refinement (EPSR) has been used to provide accurate molecular models on the structure of five different amorphous Indomethacin samples, that are consistent with their high-energy X-ray diffraction patterns. It is found that the majority of molecules in amorphous Indomethacin are non-bonded or bonded to one neighboring molecule via a single hydrogen bond, in contrast to the doubly bonded dimers found in the crystalline state. The EPSR models further indicate a substantial variation in hydrogen bonding between different amorphous forms, leading to a diversity of chain structures not found in any known crystal structures. The majority of hydrogen bonds are associated with the carboxylic acid group, although a significant number of amide hydrogen bonding interactions are also found in the models. Evidence of some dipole–dipole interactions are also observed in the more structurally ordered models. The results are consistent with a distribution of Z-isomer intramolecular type conformations in the more disordered structures, that distort when stronger intermolecular hydrogen bonding occurs. The findings are supported by 1H and 2H NMR studies of the hydrogen bond dynamics in amorphous Indomethacin.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Physics of auroral arc formation; Proceedings of the Chapman Conference on Formation of Auroral Arcs, Fairbanks, AK, July 21-25, 1980
The results of satellite, balloon-borne, and ground-based observations of auroral phenomena are discussed in terms of the morphology of auroral arcs and the behavior and characteristics of auroral electrons and ions. Further attention is given to auroral electric fields and field aligned currents, and to the development of models of auroral potential structures and energization of auroral particles. A simulation of space plasma phenomena is presented, along with numerical simulations of auroral potential structures and related phenomena, including the V-potential double layers and auroral arc deformations, and a simulation of auroral arcs. Plasma waves observed on auroral field lines and in laboratory conditions are reported, and theoretical studies of waves and turbulence in auroral plasmas are described.
Akasofu, S.-I.↗
Simulation of plasma double-layer structures
Electrostatic plasma double layers are numerically simulated by means of a magnetized 2 1/2 dimensional particle in cell method. The investigation of planar double layers indicates that these one dimensional potential structures are susceptible to periodic disruption by instabilities in the low potential plasmas. Only a slight increase in the double layer thickness with an increase in its obliqueness to the magnetic field is observed. Weak magnetization results in the double layer electric field alignment of accelerated particles and strong magnetization results in their magnetic field alignment. The numerical simulations of spatially periodic two dimensional double layers also exhibit cyclical instability. A morphological invariance in two dimensional double layers with respect to the degree of magnetization implies that the potential structures scale with Debye lengths rather than with gyroradii. Electron beam excited electrostatic electron cyclotron waves and (ion beam driven) solitary waves are present in the plasmas adjacent to the double layers.
Borovsky, J. E.↗
Structural stereopsis - Potential for automatic stereo camera calibration
The paper describes the use of extended edge features as a source of primitives for structural stereopsis and considers the design of a system for autonomous camera calibration. It is shown that the structural approach permits greater use of spatial relational constraints, eliminating the coarse-to-fine tracking of point-based algorithms. Experimental results concerning matching and calibration on real images using Laplacian-of-Gaussian contour fragments as primitives in structural stereopsis are presented, and results in graph-theoretic representation and inexact matches, analytical photogrammetry, and other computer vision and image analysis problem domains are examined. Such a system might be used in aerial photogrammetry and cartography, and robotic vision systems; however, the system is still very much under development.
Boyer, Kim L.↗
Selection and preliminary evaluation of three structures as potential solid conductors of alkali ions: Two hollandites, a titanate, and a tungstate
Utilization of crystal-chemical criteria has suggested three structure types in which alkali ions may be mobile: (1)hollandites K(x)Mg(x/2)Ti(8-x/2)O16 and K(x)Al(x)Ti(8-x)O16 for 1.6 less than or equal to x less than or equal to 2.0 tungstate K2W4013; and (3) sodium hexatitante Na2Ti6O13. Each is a tunnel structure. An electrical screening procedure, previously tested on beta-alumina, has indicated high K(+) ion mobility in the hollandites and in the tungstate, but not in the hexatitanate. Specimens were polycrystalline disks near 90 percent of theoretical density. The ac conductivity calculated from dielectric and capacitance measurements has been attributed to ion mobility. This ac conductivity was up to 0.01/ohm-cm for hollandites and about 0.0001/ohm-cm for the tungstate, with approximate activation energies of 21 to 25 and 16 kJ/mole (5 to 6 and 4 kcal/mole), respectively. Electronic conduction and chemical reactivity have eliminated the tungstate from further consideration. The hollandites have been considered worthy of further development and evaluation.
Singer, J.↗
Magnetic field line reconnection experiments. V - Current disruptions and double layers
An investigation is conducted of the stability of a large laboratory plasma current sheet, which has been generated in the process of magnetic field line reconnection, with respect to local current increases. Magnetic flux variations in regions remote from the current sheet generate an inductive voltage in the current loop that drops off inside the plasma in the form of a potential double layer, leading to particle acceleration with velocities much larger than those expected from the steady state electric fields in the plasma. A model for the mechanism of the current disruptions is formulated in which the potential structure leads to ion expulsion, creating a localized density drop. The associated current drop in an inductive circuit drives the potential structure, providing feedback for the disruptive instability. Similarities to, and differences from, magnetospheric substorm phenomena are noted.
Stenzel, R. L.↗