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At least 1,423 records · Page 79

Electrically conducting polyimide film containing tin complexes

Disclosed is a thermally-stable SnO2-surfaced polyimide film wherein the electrical conductivity of the SnO2 surface is within the range of about 3.0 x 10(exp -3) to about 1 x 10(exp -2) ohms(exp -1). Also disclosed is a method of preparing this film from a solution containing a polyamic acid and SnCl4 (DMSO)2.

St.clair, Anne K.↗

Grid generation and surface modeling for CFD

When computing the flow around complex three dimensional configurations, the generation of the mesh is the most time consuming part of any calculation. With some meshing technologies this can take of the order of a man month or more. The requirement for a number of design iterations coupled with ever decreasing time allocated for design leads to the need for a significant acceleration of this process. Of the two competing approaches, block-structured and unstructured, only the unstructured approach will allow fully automatic mesh generation directly from a CAD model. Using this approach coupled with the techniques described in this paper, it is possible to reduce the mesh generation time from man months to a few hours on a workstation. The desire to closely couple a CFD code with a design or optimization algorithm requires that the changes to the geometry be performed quickly and in a smooth manner. This need for smoothness necessitates the use of Bezier polynomials in place of the more usual NURBS or cubic splines. A two dimensional Bezier polynomial based design system is described.

Connell, Stuart D.↗

Electrically conducting polyimide film containing tin complexes

Disclosed is a thermally-stable SnO.sub.2 -surfaced polyimide film wherein the electrical conductivity of the SnO.sub.2 surface is within the range of about 3.0.times.10.sup.-3 to about 1.times.10.sup.-2 ohms.sup.-1,. Also disclosed is a method of preparing this film from a solution containing a polyamic acid and SnCl.sub.4 (DMSO).sub.2.

St. Clair, Anne K.↗

Ion-atom association reactions in the rare gases.

A simple resonance theory of three-body ion-atom association reactions is presented. The reaction is considered as proceeding through the formation of a long lived orbiting resonance complex between the atom and the ion. The population of these quasi-bound states is estimated assuming thermal equilibrium. A stable molecular ion may then be formed upon deactivation of the complex by collision with a third body. Various simplifying approximations to the potential curves and surfaces are employed. Furthermore, the deactivation cross sections for the relevant complexes are estimated from the corresponding atomic 'sizes.' A simple analytical formula for the three-body rate constant is thus derived. Reasonable agreement with experiment is obtained for He(+) in He and fair agreement for other light systems.

Dickinson, A. S.↗

A Polycrystalline Pd Surface Studied by Two-Dimensional Surface Optical Reflectance during CO Oxidation: Bridging the Materials Gap

Industrial catalysts are complex materials systems operating in harsh environments. The active parts of the catalysts are nanoparticles that expose different facets with different surface orientations at which the catalytic reactions occur. However, these facets are close to impossible to study in detail under industrially relevant operating conditions. Instead, simpler model systems, such as single crystals with a well-defined surface orientation, have been successfully used to study gas–surface interactions such as adsorption and desorption, surface oxidation, and oxidation/reduction reactions. To more closely mimic the many facets exhibited by nanoparticles and thereby close the so-called materials gap, there has also been a recent move toward using polycrystalline surfaces and curved crystals. However, these studies are limited either by the pressure or spatial resolution at realistic pressures or by the number of surfaces studied simultaneously. In this work, we demonstrate the use of reflectance microscopy to study a vast number of catalytically active surfaces simultaneously under realistic and identical reaction conditions. As a proof of concept, we have conducted an operando experiment to study CO oxidation over a Pd polycrystal, where the polycrystalline surface acts as a collection of many single-crystal surfaces. Finally, we visualized the resulting data by plotting the reflectivity as a function of surface orientation. We think the techniques and visualization methods introduced in this work will be key toward bridging the materials gap in catalysis.

36 MATERIALS SCIENCE↗

Synergism of Saturn, Enceladus and Titan and Formation of HCNO Prebiotic Molecules

Saturn as a system has two very exotic moons Titan and Enceladus. Titan, taking in energy from Saturn's magnetosphere, solar UV irradiation, and cosmic rays, can make HCN based molecules as discussed in earlier paper by Raulin and Owen. Space radiation effects at both moons, and as coupled by the Saturn magnetosphere, could cause an unexpected series of events potentially leading to prebiotic chemical evolution at Titan with HCNO from magnetospheric oxygen as the new ingredient. The "Old Faithful" model suggests that Enceladus, highly irradiated by Saturn magnetospheric electrons and thus having a source of chemical energy from radiolytic gas production, has episodic ejections of water vapor, carbon dioxide, and various hydrocarbons into Saturn's magnetosphere. The hydrocarbons do not survive transport through the plasma environment, but oxygen ions from Enceladus water molecules become the dominant ion species in the outer magnetosphere. At Titan, Cassini discovered that 1) keV oxygen ions, evidently from Enceladus, are bombarding Titan's upper atmosphere and 2) heavy positive and negative ions exist in significant abundances within Titan's upper atmosphere. Initial models of heavy ion formation in Titan's upper atmosphere invoked polymerization of aromatics such as benzenes and their radicals to make polycyclic aromatic hydrocarbons (PAH) , while a more recent model by Sittler et al., has raised the possibility of carbon chains forming from the polymerization of acetylene and its radicals to make fullerenes. Laboratory measurements indicate that fullerenes, which are hollow carbon shells, can trap keV oxygen ions. Clustering of the fullerenes with aerosol mixtures from PAHs and the dominant nitrogen molecules could form larger aerosols enriched in trapped oxygen. Aerosol precipitation could then convey these chemically complex structures deeper into the atmosphere and to the moon surface. Ionizing solar UV, magnetospheric electron, and galactic cosmic ray irradiation would provide further energy for processing into more complex organic forms. Further ionizing irradiation from cosmic rays deep in the atmosphere "tho lin" molecules are produced with all the molecular components present from which prebiotic organic molecules can form. This synergy of Saturn system, exogenic irradiation, and molecular processes provides a potential pathway for accumulation of prebiotic chemistry on the surface of Titan. Since fullerenes are also thought to exist in interstellar space, similar processes may also occur there to seed molecular clouds with prebiotic chemical species. We will also discuss possible future laboratory experiments that could be done to investigate fullerene formation at Titan and the trapping of oxygen in fullerenes.

Sittler, Edward C.↗

Measuring Vibronic Coupling and Ultrafast Charge Delocalization on Nanocrystal Surfaces Using Ligand-Specific Vibrational Probes

The primary goal of this proposal was to measure and quantify how vibronic ligand-exciton interactions at the inorganic-organic interface of semiconductor nanocrystals (NCs) govern femtosecond non-radiative relaxation and charge delocalization mechanisms as a function of nanocrystal and ligand structures – including NC size, shape, and ligand identity. Molecular-scale chemical and physical properties and interactions of surface ligands dictate nanocrystal exciton dynamics on the femto-to-microsecond timescales. Improvements in synthesis, experimental, and theoretical characterizations have enhanced our understanding of NC photophysics. However, quantitative descriptions of complex ligand-exciton interactions at the NC surface have remained elusive, which limits elucidation of relaxation mechanisms that determine overall carrier transfer dynamics at the exciton-ligand interface. Thus, the central motivation for this proposal was to fill a significant knowledge gap for judicious selection of ligand-functionalized nanocrystals for targeted isolation and capture of charge carriers to drive selective organic photocatalytic transformations in NC photocatalysts and NC-assembled photonic materials. Our unique two-pronged experimental approach combining nanocrystal synthesis and ligand-specific nonlinear spectroscopy has resulted in (i) four peer-reviewed publications; (ii) 12+ invited and contributed posters and talks at national and international scientific meetings and seminars, (iii) two completed PhD theses, (iv) training of two postdoctoral researchers, three PhD students, and two undergraduate students, and (v) two manuscripts under preparation.

36 MATERIALS SCIENCE↗

FUN3D Grid Refinement and Adaptation Studies for the Ares Launch Vehicle

This paper presents grid refinement and adaptation studies performed in conjunction with computational aeroelastic analyses of the Ares crew launch vehicle (CLV). The unstructured grids used in this analysis were created with GridTool and VGRID while the adaptation was performed using the Computational Fluid Dynamic (CFD) code FUN3D with a feature based adaptation software tool. GridTool was developed by ViGYAN, Inc. while the last three software suites were developed by NASA Langley Research Center. The feature based adaptation software used here operates by aligning control volumes with shock and Mach line structures and by refining/de-refining where necessary. It does not redistribute node points on the surface. This paper assesses the sensitivity of the complex flow field about a launch vehicle to grid refinement. It also assesses the potential of feature based grid adaptation to improve the accuracy of CFD analysis for a complex launch vehicle configuration. The feature based adaptation shows the potential to improve the resolution of shocks and shear layers. Further development of the capability to adapt the boundary layer and surface grids of a tetrahedral grid is required for significant improvements in modeling the flow field.

Bartels, Robert E.↗

Toward the origins of binding energy shifts and “satellites” formation during plasma-XPS measurements

In-plasma x-ray photoelectron spectroscopy (plasma-XPS) emerges as a powerful platform for real-time, in situ chemical analysis under conditions relevant to semiconductor processing and other plasma-enabled technologies. This study investigates the origins of binding energy (BE) shifts and the formation of “satellite” peaks observed during plasma-XPS measurements across conductive, dielectric, and gas-phase systems. Using a standard laboratory-based ambient pressure XPS apparatus coupled with an alternating current (AC)-driven capacitively coupled plasma source, we demonstrate that metastable surface species, such as transient Au oxides, can be detected during plasma exposure, revealing chemical states that are hardly accessible using conventional ultrahigh vacuum (UHV) XPS. In dielectric samples (e.g., undoped diamond, sapphire), we observe pressure- and plasma-type-dependent BE shifts of more than 50 eV, attributed to x-ray-induced and plasma-mediated surface charging. These shifts are mitigated at higher pressures/plasmas or in electronegative plasmas (e.g., O 2 ), the latter due to enhanced charge compensation mechanisms involving slow negative ions. For gas-phase species, AC-plasma excitation leads to spectral broadening and the emergence of “satellite” peaks with energy separations of a few electron volts, linked to oscillating local plasma potentials in the probing volume. Furthermore, these findings highlight the complex and important interplay between plasma parameters, surface charging, and local electric fields in shaping XPS spectra. Overall, plasma-XPS emerges as a critical metrological tool for probing transient surface chemistry, with implications for semiconductor processing, material synthesis, and plasma diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The role of haptic cues from rough and slippery surfaces in human postural control

Haptic information is critically important in complex sensory-motor tasks such as manipulating objects. Its comparable importance in spatial orientation is only beginning to be recognized. We have shown that postural sway in humans is significantly reduced by lightly touching a stable surface with a fingertip at contact force levels far below those physically necessary to stabilize the body. To investigate further the functional relationship between contact forces at the hand and postural equilibrium, we had subjects stand in the tandem Romberg stance while being allowed physically supportive (force contact) and non-physically supportive (touch contact) amounts of index fingertip force on surfaces with different frictional characteristics. Mean sway amplitude (MSA) was reduced by over 50% with both touch and force contact of the fingertip, compared to standing without fingertip contact. No differences in MSA were observed when touching rough or slippery surfaces. The amplitude of EMG activity in the peroneal muscles and the timing relationships between fingertip forces, body sway and EMG activity suggested that with touch contact of the finger or with force contact on a slippery surface long-loop "reflexes" involving postural muscles were stabilizing sway. With force contact of the fingertip on a rough surface, MSA reduction was achieved primarily through physical support of the body. This pattern of results indicates that light touch contact cues from the fingertip in conjunction with proprioceptive signals about arm configuration are providing information about body sway that can be used to reduce MSA through postural muscle activation.

NASA Discipline Neuroscience↗

X-ray Computed Tomography as a Metrology Technique for the Analysis of Additively Manufactured Material

X-ray computed tomography (X-ray CT) is an analytical technique used in materials science to non-destructively characterize features in a variety materials like polymer, metals, composites, and explosives. It also has the capability of imaging additively manufacture, machine and assembled parts. The non-destructive imaging allows for the analysis of features (voids and cracks), which give a fundamental understanding of the material characteristics. Additionally, X-ray CT can obtain accurate measurements of dimensional and topographic variations due to different stimuli and assess the accuracy of material production. This study focuses on parts manufactured via metal additive manufacturing (AM). Although AM produces parts faster and easier, the printing process can produce defects (pores and surface roughness) that undermine the part’s mechanical properties and performance. The analysis of 3D printed objects has an asset in that the material has an STL file from which the item was printed, which is not available in many manufactured materials (i.e., foams) due to stochastic structures. For this study, the print accuracy of four additively manufactured cylinders will be assessed via X-ray CTto approximate the surface roughness and visualize any major morphological changes to assess the dimensional accuracy of complex additively manufactured parts. It was concluded that using X-ray CT to measure surface roughness was affective because reasonable surface roughness values were measured. Additionally, itwas determined that small-scale features can be produced via additive manufacturing with strong dimensional accuracy so long as the features are highly complex with sharp grooves.

36 MATERIALS SCIENCE↗

The Long-Term Evolution of the Atmosphere of Venus: Processes and Feedback Mechanisms

This work reviews the long-term evolution of the atmosphere of Venus, and modulation of its composition by interior/exterior cycling. The formation and evolution of Venus’s atmosphere, leading to contemporary surface conditions, remain hotly debated topics, and involve questions that tie into many disciplines. We explore these various inter-related mechanisms which shaped the evolution of the atmosphere, starting with the volatile sources and sinks. Going from the deep interior to the top of the atmosphere, we describe volcanic out-gassing, surface-atmosphere interactions, and atmosphere escape. Furthermore, we address more complex aspects of the history of Venus, including the role of Late Accretion impacts, how magnetic field generation is tied into long-term evolution, and the implications of geochemical and geodynamical feedback cycles for atmospheric evolution. We highlight plausible end-member evolutionary pathways that Venus could have followed, from accretion to its present-day state, based on modeling and observations. In a first scenario, the planet was desiccated by atmospheric escape during the magma ocean phase. In a second scenario, Venus could have harbored surface liquid water for long periods of time, until its temperate climate was destabilized and it entered a runaway greenhouse phase. In a third scenario, Venus’s inefficient outgassing could have kept water inside the planet, where hy- drogen was trapped in the core and the mantle was oxidized. We discuss existing evidence and future observations/missions required to refine our understanding of the planet’s history and of the complex feedback cycles between the interior, surface, and atmosphere that have been operating in the past, present or future of Venus.

Venus↗

Direct computation of magnetic surfaces in Boozer coordinates and coil optimization for quasisymmetry

We propose a new method to compute magnetic surfaces that are parametrized in Boozer coordinates for vacuum magnetic fields. We also propose a measure for quasisymmetry on the computed surfaces and use it to design coils that generate a magnetic field that is quasisymmetric on those surfaces. The rotational transform of the field and complexity measures for the coils are also controlled in the design problem. Using an adjoint approach, we are able to obtain analytic derivatives for this optimization problem, yielding an efficient gradient-based algorithm. Starting from an initial coil set that presents nested magnetic surfaces for a large fraction of the volume, our method converges rapidly to coil systems generating fields with excellent quasisymmetry and low particle losses. In particular for low complexity coils, we are able to significantly improve the performance compared with coils obtained from the standard two-stage approach, e.g. reduce losses of fusion-produced alpha particles born at half-radius from $17.7\,\%$ to $6.6\,\%$ . We also demonstrate 16-coil configurations with alpha loss ${<}1\,\%$ and neoclassical transport magnitude $\epsilon _{\text {eff}}^{3/2}$ less than approximately $5\times 10^{-9}$ .

Physics↗

Stemflow Hydrodynamics

Stemflow hydrodynamics is the study of water movement along the exterior surface area of plants. Its primary goal is to describe water velocity and water depth along the stem surface area. Its significance in enriching the rhizosphere with water and nutrients is not in dispute. Yet, the hydrodynamics of stemflow have been entirely overlooked. This review seeks to fill this knowledge gap by drawing from thin film theories to seek outcomes at the tree scale. The depth‐averaged conservation equations of water and solute mass are derived at a point. These equations are then supplemented with the conservation of momentum that is required to describe water velocities or relations between water velocities and water depth. Relevant forces pertinent to momentum conservation are covered and include body forces (gravitational effects), surface forces (wall friction), line forces (surface tension), and inertial effects. The inclusion of surface tension opens new vistas into the richness and complexity of stemflow hydrodynamics. Flow instabilities such as fingering, pinching of water columns into droplets, accumulation of water within fissures due to surface tension and their sudden release are prime examples that link observed spatial patterns of stemflow fronts and morphological characteristics of the bark. Aggregating these effects at the tree‐ and storm‐ scales are featured using published experiments. The review discusses outstanding challenges pertaining to stemflow hydrodynamics, the use of dynamic similarity and 3D printing to enable the interplay between field studies and controlled laboratory experiments.

54 ENVIRONMENTAL SCIENCES↗

Capture zone area distributions for nucleation and growth of islands during submonolayer deposition

A fundamental evolution equation is developed to describe the distribution of areas of capture zones (CZs) associated with islands formed by homogeneous nucleation and growth during submonolayer deposition on perfect flat surfaces. This equation involves various quantities which characterize subtle spatial aspects of the nucleation process. These quantities in turn depend on the complex stochastic geometry of the CZ tessellation of the surface, and their detailed form determines the CZ area distribution (CZD) including its asymptotic features. For small CZ areas, behavior of the CZD reflects the critical island size, i. For large CZ areas, it may reflect the probability for nucleation near such large CZs. Predictions are compared with kinetic Monte Carlo simulation data for models with two-dimensional compact islands with i = 1 (irreversible island formation by diffusing adatom pairs) and i = 0 (adatoms spontaneously convert to stable nuclei, e.g., by exchange with the substrate).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insight into the autoproteolysis mechanism of the RsgI9 anti‐σ factor from Clostridium thermocellum

Abstract Clostridium thermocellum is a potential microbial platform to convert abundant plant biomass to biofuels and other renewable chemicals. It efficiently degrades lignocellulosic biomass using a surface displayed cellulosome, a megadalton sized multienzyme containing complex. The enzymatic composition and architecture of the cellulosome is controlled by several transmembrane biomass‐sensing RsgI‐type anti‐σ factors. Recent studies suggest that these factors transduce signals from the cell surface via a conserved RsgI extracellular (CRE) domain (also called a periplasmic domain) that undergoes autoproteolysis through an incompletely understood mechanism. Here we report the structure of the autoproteolyzed CRE domain from the C. thermocellum RsgI9 anti‐σ factor, revealing that the cleaved fragments forming this domain associate to form a stable α/β/α sandwich fold. Based on AlphaFold2 modeling, molecular dynamics simulations, and tandem mass spectrometry, we propose that a conserved Asn‐Pro bond in RsgI9 autoproteolyzes via a succinimide intermediate whose formation is promoted by a conserved hydrogen bond network holding the scissile peptide bond in a strained conformation. As other RsgI anti‐σ factors share sequence homology to RsgI9, they likely autoproteolyze through a similar mechanism.

Takayesu, Allen↗

Overview of Mars: Viking results

As a result of the Viking orbiter observations, the entire surface of Mars has been imaged at a resolution of 200 meters, and fractions of the surface down to resolutions of 10 meters, the thermal inertia of the entire surface is known to a resolution of 30 km, and the water content of the atmosphere has been monitored over two Martian years. In addition, at two sites, the Viking landers analyzed the atmosphere, imaged the surface, performed organic and inorganic analyses on the soil, and monitored meteorological conditions for almost three Martian years. The results show that Mars is a highly variegated planet with a long and complex history of volcanic and tectonic activity, a surface that has been modified by wind, water and ice, and an atmosphere that has experienced substantial changes, both periodic and secular. The variety of processes that have operated on the surface, and the long history of their action, result in a much broader range of sampling problems and opportunities than was experienced in the case of the Moon.

Carr, Michael H.↗