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At least 883 records · Page 49

NASA Tech Briefs, April 2005

Gas-Tolerant Device Senses Electrical Conductivity of Liquid Nanoactuators Based on Electrostatic Forces on Dielectrics Replaceable Microfluidic Cartridges for a PCR Biosensor CdZnTe Image Detectors for Hard-X-Ray Telescopes High-Aperture-Efficiency Horn Antenna Full-Circle Resolver-to-Linear-Analog Converter Continuous, Full-Circle Arctangent Circuit Advanced Three-Dimensional Display System Automatic Focus Adjustment of a Microscope Topics covered include: FastScript3D - A Companion to Java 3D; Generating Mosaics of Astronomical Images; Simulating Descent and Landing of a Spacecraft; Simulating Vibrations in a Complex Loaded Structure; Rover Sequencing and Visualization Program; Software Template for Instruction in Mathematics; Support for User Interfaces for Distributed Systems; Nanostructured MnO2-Based Cathodes for Li-Ion/Polymer Cells; Multi-Layer Laminated Thin Films for Inflatable Structures; Two-Step Laser Ranging for Precise Tracking of a Spacecraft; Growing Aligned Carbon Nanotubes for Interconnections in ICs; Multilayer Composite Pressure Vessels; Texturing Blood-Glucose-Monitoring Optics Using Oxygen Beams; Fault-Tolerant Heat Exchanger; Atomic Clock Based on Opto-Electronic Oscillator; Microfocus/Polycapillary-Optic Crystallographic X-Ray Sys; Depth-Penetrating Luminescence Thermography of Thermal- Barrier Coatings; One-Dimensional Photonic Crystal Superprisms; Measuring Low-Order Aberrations in a Segmented Telescope; Mapping From an Instrumented Glove to a Robot Hand; Application of the Hilbert-Huang Transform to Financial Data; Optimizing Parameters for Deep-Space Optical Communication; and Low-Shear Microencapsulation and Electrostatic Coating.

Source record↗

Medicine Delivery Device with Integrated Sterilization and Detection

Sterile delivery devices can be created by integrating a medicine delivery instrument with surfaces that are coated with germicidal and anti-fouling material. This requires that a large-surface-area template be developed within a constrained volume to ensure good contact between the delivered medicine and the germicidal material. Both of these can be integrated using JPL-developed silicon nanotip or cryo-etch black silicon technologies with atomic layer deposition (ALD) coating of specific germicidal layers. Nanofabrication techniques that are used to produce a microfluidics device are also capable of synthesizing extremely hig-hsurface-area templates in precise locations, and coating those surfaces with conformal films to manipulate their surface properties. This methodology has been successfully applied at JPL to produce patterned and coated silicon nanotips (also known as black silicon) to manipulate the hydrophilicity of surfaces to direct the spreading of fluids in microdevices. JPL s ALD technique is an ideal method to produce the highly conformal coatings required for this type of application. Certain materials, such as TiO2, have germicidal and anti-fouling properties when they are illuminated with UV light. The proposed delivery device contacts medicine with this high-surface-area black silicon surface coated with a thin-film germicidal deposited conformally with ALD. The coating can also be illuminated with ultraviolet light for the purpose of sterilization or identification of the medicine itself. This constrained volume that is located immediately prior to delivery into a patient, ensures that the medicine delivery device is inherently sterile.

Sheam, Michael J.↗

Insights into the Structure–Activity Relationship in Aerobic Alcohol Oxidation over a Metal–Organic-Framework-Supported Molybdenum(VI) Catalyst

The understanding of structure–activity relationships at the atomic level has played a profound role in heterogeneous catalysis, providing valuable insights into designing suitable heterogeneous catalysts. However, uncovering the detailed roles of how such active species’ structures affect their catalytic performance remains a challenge owing to the lack of direct structural information on a specific active species. Herein, we deposited molybdenum(VI), an active species in oxidation reactions, on the Zr 6 node of a mesoporous zirconium-based metal–organic framework (MOF) NU-1200, using solvothermal deposition in MOFs (SIM). Due to the high crystallinity of the NU-1200 support, the precise structure of the resulting molybdenum catalyst, Mo-NU-1200, was characterized through single-crystal X-ray diffraction (SCXRD). Two distinct anchoring modes of the molybdenum species were observed: one mode (Mo1), displaying an octahedral geometry, coordinated to the node through one terminal oxygen atom and the other mode (Mo2) coordinated to two adjacent Zr 6 node oxygen atoms in a tetrahedral geometry. To investigate the role of base in the catalytic activity of these Mo centers, we assessed the activity of Mo-NU-1200 for the aerobic oxidation of 4-methoxybenzyl alcohol as a model reaction. The results revealed that Mo-NU-1200 exhibited remarkably higher catalytic reactivity under base-free conditions, while the presence of base inhibited the catalytic reactivity of this species. SCXRD studies revealed that the molybdenum binding motifs (structures of the supported metal on the Zr 6 node in the MOF) changed over the course of the reactions. Following the oxidation without base, both pristine coordination modes (Mo1 and Mo2) evolved into a new coordination mode (Mo3), in which the molybdenum atom coordinated to two adjacent oxygen atoms from the Zr 6 node in an octahedral geometry, while in the presence of base, the pristine Mo1 coordination mode evolved entirely into the pristine Mo2. Here, this study demonstrates the direct observation of an active species’ structural evolution from metal installation to subsequent catalytic reaction. As a result, these subtle structural changes in catalyst binding motifs led to distinct differences in catalytic activities, providing a compelling strategy for elucidating structure–activity relationships.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-precision mass measurements of the isomeric and ground states of 44 V: Improving constraints on the isobaric multiplet mass equation parameters of the A=44, 0 + quintet

Background: The quadratic isobaric multiplet mass equation (IMME) has been very successful at predicting the masses of isobaric analog states in the same multiplet, while its coefficients are known to follow specific trends as functions of mass number. The Atomic Mass Evaluation 2016 [Chin. Phys. C 41, 030003 (2017)] 44 V mass value results in an anomalous negative c coefficient for the IMME quadratic term; a consequence of large uncertainty and an unresolved isomeric state. The b and c coefficients can provide useful constraints for construction of the isospin-nonconserving Hamiltonians for the pf shell. In addition, the excitation energy of the 0 + , T = 2 level in 44 V is currently unknown. This state can be used to constrain the mass of the more exotic 44 Cr. Purpose: The aim of the experimental campaign was to perform high-precision mass measurements to resolve the difference between 44 V isomeric and ground states, to test the IMME using the new ground state mass value and to provide necessary ingredients for the future identification of the 0 + , T = 2 state in 44 V. Method: High-precision Penning trap mass spectrometry was performed at LEBIT, located at the National Superconducting Cyclotron Laboratory, to measure the cyclotron frequency ratios of [ 44g,m VO] + versus [ 32 SCO] + , a well-known reference mass, to extract both the isomeric and ground state masses of 44 V. Results: The mass excess of the ground and isomeric states in 44 V were measured to be -23 804.9(80) keV/c 2 and -23 537.0(55) keV/c 2 , respectively. This yielded a new proton separation energy of S p = 1 773(10) keV. Conclusion: The new values of the ground state and isomeric state masses of 44 V have been used to deduce the IMME b and c coefficients of the lowest 2 + and 6 + triplets in A = 44. The 2 + c coefficient is now verified with the IMME trend for lowest multiplets and is in good agreement with the shell-model predictions using charge-dependent Hamiltonians. The mirror energy differences were determined between 44 V and 44 Sc, in line with isospin-symmetry for this multiplet. Finally, the new value of the proton separation energy determined, to an uncertainty of 10 keV, will be important for the determination of the 0 + , T = 2 state in 44 V and, consequently, for prediction of the mass excess of 44 Cr.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Measuring X-Ray Emission Line Shapes in Neutral Species for XRISM Calibration

Space X-ray spectrometers such as the Resolve instrument on XRISM require precise calibration in order to interpret the spectra of astrophysical objects. Key components of the calibration are the energy scale and the core line spread function, both of which vary with photon energy. A major issue in the calibration of high-resolution spectrometers is locating good calibrators with well-known and stable intrinsic line shapes. Neutral fluorescence is widely used, but inner-shell transitions in neutral atoms often exhibit complex, poorly documented line shapes that vary with excitation conditions. Here, in this study, we present empirical measurements of K-shell transitions in neutral O and F below 1 keV using an engineering model XRISM calorimeter array, an electron bombardment modulated X-ray source, and an electron beam ion trap (EBIT) to provide a precise energy reference. In addition, we report measurements of the Mo Lα complex with the transition-edge microcalorimeter spectrometer (TEMS), which reveal strong satellite structure and sensitivity of the line shape to the incident exciting spectrum. Together, these results demonstrate the need for empirical line-shape models, highlight the nonstationary nature of neutral fluorescence features, and define a path toward developing transfer standards for XRISM and future precision instruments such as Athena/X-IFU.

Astronomy and AstroPhysics↗

Chromosome aberrations among atomic-bomb survivors exposed in utero: updated analysis accounting for revised radiation doses and smoking

A previous study of peripheral blood lymphocyte translocations around age 40 among atomic-bomb survivors exposed in utero revealed no overall association with radiation dose—despite a clear association between translocations and dose among their mothers—but the data suggested an increase at doses below 100 mGy with a definite peak. That analysis of the in utero-exposed survivors did not adjust for their subsequent smoking behavior, an established cause of chromosomal aberrations, or their subsequent exposures to medical irradiation, a potential mediator. In addition, atomic-bomb survivor radiation dose estimates have subsequently been updated and refined. We therefore re-estimated the dose response using the latest DS02R1 dose estimates and adjusting for smoking as well as for city and proximal–distal location at the time of exposure to the atomic bomb. Sex of the survivor, mother’s age around the time of conception, and approximate trimester of gestation at the time of exposure were also considered as explanatory variables and modifiers. Precision of the estimated dose response was slightly lower due to greater variability near zero in the updated dose estimates, but there was little change in evidence of a low-dose increase and still no suggestion of an overall increase across the entire dose range. Adjustment for smoking behavior led to a decline in background number of translocations (the dose–response intercept), but smoking did not interact with dose overall (across the entire dose range). Adjustment for medical irradiation did not alter the association between dose and translocation frequency. Sex, mother’s age, and trimester were not associated with number of translocations, nor did they interact with dose overall. Interactions with dose in the low-dose range could not be evaluated because of numerical instability.

59 BASIC BIOLOGICAL SCIENCES↗

Tuning Surface Adhesion Using Grayscale Electron-beam Lithography

Surface texturing of manufactured products tailors their properties, such as friction, adhesion, biocompatibility, or fluid interactions. However, advancements in this area are largely the result of trial-and-effort testing and generally lack a science-guided framework for determining the surface topography that will optimize performance. The present investigation explores grayscale electron-beam lithography as a means to create multiscale surface patterns to control surface performance. Here, we created and characterized a set of surface textures on a silicon wafer; the textures were superpositions of sine waves of varying wavelengths and amplitudes. First, the multiscale topography of the patterned surface was characterized, using profilometry and atomic force microscopy, to understand its fidelity to the designed-in pattern. The results of this analysis demonstrated how grayscale lithography accurately controlled the lateral size of features but was less precise on the vertical height of the surface, and also introduced inherent roughness below the scale of patterning. Second, a micromechanical tester was used to characterize the adhesion of the surfaces with large-scale polished silicon spheres. The results showed that adhesion could be tailored, with significant contribution from all of the designed-in length scales of topography. The strength of adhesion did not correlate with conventional roughness parameters but could be accurately modeled using simple numerical integration. Taken together, this investigation demonstrates the promise and challenges of grayscale e-beam lithography with multiscale patterns as a method for the tailoring of surface performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry

Reaction times, activation energies, branching ratios, yields, and many other quantitative attributes are important for precise organic syntheses and generating detailed reaction mechanisms. Often, it would be useful to be able to classify proposed reactions as fast or slow. However, quantitative chemical reaction data, especially for atom-mapped reactions, are difficult to find in existing databases. Therefore, we used automated potential energy surface exploration to generate 12,000 organic reactions involving H, C, N, and O atoms calculated at the ω B97X-D3/def2-TZVP quantum chemistry level. We report the results of geometry optimizations and frequency calculations for reactants, products, and transition states of all reactions. Additionally, we extracted atom-mapped reaction SMILES, activation energies, and enthalpies of reaction. We believe that this data will accelerate progress in automated methods for organic synthesis and reaction mechanism generation—for example, by enabling the development of novel machine learning models for quantitative reaction prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High pressure–derived nonsymmetrical [Cu 2 O] 2+ core for room-temperature methane hydroxylation

Nonsymmetrical oxygen-bridged binuclear copper centers have been proposed and modeled as intermediates and transition states in several C–H oxidation pathways, leading to the postulation that structural dissymmetry enhances the reactivity of the bridging oxygen. However, experimentally characterizing the structure and reactivity of these transient species is remarkably challenging. Here, we report the high-pressure synthesis of a metastable nonsymmetrical dicopper-μ-oxo compound with exceptional reactivity toward the mono-oxygenation of aliphatic C–H bonds. The nonequivalent coordination environment of copper stabilizes localized mixed valency and greatly enhances the hydrogen atom abstraction activity of the bridging oxygen, enabling room-temperature hydroxylation of methane under pressure. These findings highlight the role of dissymmetry in the reactivity of binuclear copper centers and demonstrate precise control of molecular structures by mechanical means.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Post irradiation examination of a uranium-zirconium hydride TRIGA fuel element

Low-enriched (LEU) U-ZrH fuel, with a 235 U content less than 20% of the total uranium, is being evaluated for possible use in different types of reactors, including space nuclear systems, light water reactors (LWRs) and micro-reactors. As a result, it is beneficial to better understand the macrostructural and microstructural changes that occur in this fuel during irradiation. This paper reports the results of the post irradiation examination of an LEU U-ZrH fuel element (30 wt.% U, <20% 235 U) using neutron radiography, precision gamma scanning, chemical analysis, optical metallography and scanning electron microscopy combined with energy dispersive spectroscopy and wavelength dispersive spectroscopy, where the fuel element was irradiated in a Training, Research, Isotope, General Atomics (TRIGA) reactor. Results of microstructural characterization indicated some dehydriding and cracking of the U-ZrH fuel occurred during irradiation; an axial and radial burnup gradient existed in the fuel during irradiation, as measured by gamma scanning and chemical analysis; negligible microstructural changes transpired during irradiation, based on comparison of irradiated and as-fabricated U-ZrH fuel microstructures; and, negligible, fission product-rich, phases could be resolved in a U-ZrH fuel that was irradiated to a calculated 20% depletion of 235 U.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Reflective Coating for Lightweight X-Ray Optics

X-ray reflective coating for next generation's lightweight, high resolution, optics for astronomy requires thin-film deposition that is precisely fine-tuned so that it will not distort the thin sub-mm substrates. Film of very low stress is required. Alternatively, mirror distortion can be cancelled by precisely balancing the deformation from multiple films. We will present results on metallic film deposition for the lightweight optics under development. These efforts include: low-stress deposition by magnetron sputtering and atomic layer deposition of the metals, balancing of gross deformation with two-layer depositions of opposite stresses and with depositions on both sides of the thin mirrors.

Chan, Kai-Wing↗

Preliminary Investigation of Onboard Orbit Determination Using Deep Space Atomic Clock Based Radio Tracking

The Deep Space Atomic Clock mission is developing a small, mercury ion atomic clock with Allan deviation of less than 1e-14 at one day (current estimates < 3e-15) for a yearlong space demonstration beginning late- 2016/early-2017. DSAC’s stability yields one-way radiometric data precision on par with current two-way data. Uplink one-way tracking with an appropriately configured radio enables the possibility of onboard, autonomous radio navigation. This study examines the modeling needed to efficiently process this data for an onboard implementation.

Ely, Todd A.↗

Design considerations for ultra-precision magnetic bearing supported slides

Development plans for a prototype servocontrolled machine with 1 angstrom resolution of linear motion and 50 mm range of travel are described. Two such devices could then be combined to produce a two dimensional machine for probing large planar objects with atomic resolution, the Angstrom Resolution Measuring Machine (ARMM).

Slocum, Alexander H.↗

Accurate determination of the electron spin polarization in magnetized iron and nickel foils for Møller polarimetry

The Møller polarimeter in Hall A at Jefferson Lab in Newport News, VA, has provided reliable measurements of electron beam polarization for the past two decades. Past experiments have typically required polarimetry at the 1% level of absolute uncertainty which the Møller polarimeter has delivered. However, the upcoming proposed experimental program including MOLLER and SoLID have stringent requirements on beam polarimetry precision at the level of 0.4% (The MOLLER Collaboration, 2014; The SoLID collaboration, 2019), requiring a systematic re-examination of all the contributing uncertainties. Møller polarimetry uses the double polarized scattering asymmetry of a polarized electron beam on a target with polarized atomic electrons. The target is a ferromagnetic material magnetized to align the spins in a given direction. In Hall A, the target is a pure iron foil aligned perpendicular to the beam and magnetized out of plane parallel or antiparallel to the beam direction. The acceptance of the detector is engineered to collect scattered electrons close to 90° in the center of mass frame where the analyzing power is a maximum (-7/9). One of the leading systematic errors comes from determination of the target foil polarization. Polarization of a magnetically saturated target foil requires knowledge of both the saturation magnetization and g', the electron g-factor which includes components from both spin and orbital angular momentum from which the spin fraction of magnetization is determined. Target foil polarization has been previously addressed in a 1997 publication “A precise target for Møller polarimetry” by de Bever et al. (1997) at a level of precision sufficient for experiments up to this point. Several shortcomings with the previous published value require revisiting the result prior to MOLLER. Here, we utilize the existing world data to provide a best estimate for target polarization for both nickel and iron foils including uncertainties in magnetization, high-field and temperature dependence, and fractional contribution to magnetization from orbital effects. We determine the foil electron spin polarization at 294 K to be 0.08020 ± 0.00018 (@4 T applied field) for iron and 0.018845+/-0.000053 (@2 T applied field) for nickel. Finally, we conclude with a brief discussion of additional systematic uncertainties to Møller polarimetry using this technique.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Ru/MgO catalyst with dual Ru structure sites for efficient CO production from CO 2 hydrogenation

The development and comprehension of supported metal catalysts for CO 2 hydrogenation is of paramount importance in mitigating the net CO 2 emissions. Supported Ru catalysts have been widely recognized in facilitating CO 2 methanation, on which recent findings suggest that the CO 2 hydrogenation process can be manipulated to favor the reverse water–gas shift (RWGS) pathway by precisely adjusting the size of Ru particles. However, the size-dependent impact of Ru remains a topic of lively debate. In this work, Ru/MgO catalysts with Ru in the form of single atoms (Ru 1 ) and few-atom cluster (Ru FAC ) structures were prepared for CO 2 hydrogenation. The 1.0Ru/MgO catalyst (with 1 wt.% of Ru), featuring a mixture of Ru 1 and Ru FAC with a size of 0.6–1.0 nm, showed the highest CO yield (38% at 500 °C) with balanced CO 2 conversion and CO selectivity. Transient CO 2 hydrogenation and temperature-programmed surface reaction (TPSR) studies suggested that the adsorbed CO 2 species participated in CO 2 hydrogenation. On Ru 1 sites, CO 2 hydrogenation followed the RWGS pathway, resulting in the production of CO. In contrast, on Ru FAC sites, the enhanced H 2 dissociation ability, along with the presence of adsorbed bidentate and monodentate carbonate species at the Ru-MgO interfaces, facilitated the formation of CH 4 through the CO 2 methanation pathway. In conclusion, this study highlights the critical roles of Ru structure and local environment in defining the CO 2 hydrogenation pathways and provides new design principles for highly active Ru-based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sub-micrometer random-pyramid texturing of silicon solar wafers with excellent surface passivation and low reflectance

Select emerging solar cell technologies, ranging from very narrow screen-printed fingers to perovskite/silicon tandems, would benefit from a reduction of the height of the standard pyramidal texture of monocrystalline silicon wafers to below 1 μm. However, fabricating such small surface features usually compromises the requisite low reflectance and high passivation quality. Through systematic design of experiments, we demonstrate that conventional alkaline-based wet-chemical etching processes can be tuned to produce dense, spatially homogeneous, and uniformly sized sub-micrometer pyramids. Precise texture size can be further controlled by adding potassium silicate to the texturing solution to effectively slow the pyramid growth rate and promote nucleation. With pyramid size distribution data—extracted from multiple atomic force microscopy images across each wafer—we demonstrate 16 nanotextures with average pyramid sizes ranging from 62 to 512 nm, with the largest having only 0.3% of its pyramids taller than 1 μm. Six of the nanotextures exhibit light trapping and surface defect densities comparable to state-of-the-art microtextured wafers. In conclusion, the best nanotexture achieved an AM1.5G-weighted reflectance of 11.8% and a minority-carrier lifetime of 3.4 ms after passivation with amorphous silicon, demonstrating that smaller textures need not deteriorate solar cell performance.

14 SOLAR ENERGY↗

Ultra-Fast High-Precision Metallic Nanoparticle Synthesis using Laser-Accelerated Protons

Laser-driven proton acceleration, as produced during the interaction of a high-intensity (I > 1 × 10 18 W/cm 2 ), short pulse (<1 ps) laser with a solid target, is a prosperous field of endeavor for manifold applications in different domains, including astrophysics, biomedicine and materials science. These emerging applications benefit from the unique features of the laser-accelerated particles such as short duration, intense flux and energy versatility, which allow obtaining unprecedented temperature and pressure conditions. In this paper, we show that laser-driven protons are perfectly suited for producing, in a single sub-ns laser pulse, metallic nanocrystals with tunable diameter ranging from tens to hundreds of nm and very high precision. Our method relies on the intense and very quick proton energy deposition, which induces in a bulk material an explosive boiling and produces nanocrystals that aggregate in a plasma plume composed by atoms detached from the proton-irradiated surface. The properties of the obtained particles depend on the deposited proton energy and on the duration of the thermodynamical process. Suitably controlling the irradiated dose allows fabricating nanocrystals of a specific size with low polydispersity that can easily be isolated in order to obtain a monodisperse nanocrystal solution. Molecular Dynamics simulations confirm our experimental results.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Spray combustion under oscillatory pressure conditions

The performance and stability of liquid rocket engines is often argued to be significantly impacted by atomization and droplet vaporization processes. In particular, combustion instability phenomena may result from the interactions between the oscillating pressure field present in the rocket combustor and the fuel and oxidizer injection process. Few studies have been conducted to examine the effects of oscillating pressure fields on spray formation and its evolution under rocket engine conditions. The pressure study is intended to address the need for such studies. In particular, two potentially important phenomena are addressed in the present effort. The first involves the enhancement of the atomization process for a liquid jet subjected to an oscillating pressure field of known frequency and amplitude. The objective of this part of the study is to examine the coupling between the pressure field and or the resulting periodically perturbed velocity field on the breakup of the liquid jet. In particular, transverse mode oscillations are of interest since such modes are considered of primary importance in combustion instability phenomena. The second aspect of the project involves the effects of an oscillating pressure on droplet coagulation and secondary atomization. The objective of this study is to examine the conditions under which phenomena following the atomization process are affected by perturbations to the pressure or velocity fields. Both coagulation and represent a coupling mechanism between the pressure field and the energy release process in rocket combustors. It is precisely this coupling which drives combustion instability phenomena. Consequently, the present effort is intended to provide the fundamental insights needed to evaluate these processes as important mechanisms in liquid rocket instability phenomena.

Jacobs, H. R.↗