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At least 613 records · Page 34

Transient Catenation in a Zirconium-Based Metal–Organic Framework and Its Effect on Mechanical Stability and Sorption Properties

Interpenetration of two or more sublattices is common among many metal–organic frameworks (MOFs). In this study, we study the evolution of one zirconium cluster-based, 3,8-connected MOF from its non-interpenetrated (NU-1200) to interpenetrated (STA-26) isomer. We observe this transient catenation process indirectly using ensemble methods, such as nitrogen porosimetry and X-ray diffraction, and directly, using high-resolution transmission electron microscopy. The approach detailed here will serve as a template for other researchers to monitor the interpenetration of their MOF samples at the bulk and single-particle limits. We investigate the mechanical stability of both lattices experimentally by pressurized in situ X-ray diffraction and nanoindentation as well as computationally with density functional theory calculations. Both lines of study reveal that STA-26 is considerably more mechanically stable than NU-1200. We conclude this study by demonstrating the potential of these MOFs and their mixed phases for the capture of gaseous n-hexane, used as a structural mimic for the chemical warfare agent sulfur mustard gas.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhanced anomalous Nernst effect in disordered Dirac and Weyl materials

Here, we analyze the thermoelectric response of Dirac and Weyl semimetals using the semiclassical approach, focusing on the extrinsic contributions due to skew-scattering and side jump. Our results apply to the linear response Nernst effect in ferromagnetic Dirac materials such as Fe 3 Sn 2 and Weyl semimetals like Co 3 Sn 2 S 2 . In the case of Fe 3 Sn 2 we obtain a very good agreement with known experimental anomalous Hall effect measurements, and based on that we predict a large Nernst effect in this material.We also extend the investigation to second-order response, focusing on monolayer graphene on hBN with trigonal warping as an example. Our analysis indicates that the extrinsic contributions can be a significant component of anomalous Nernst response and may be used to explain an enhanced thermoelectric response.

36 MATERIALS SCIENCE↗

A study of the noise radiation from four helicopter rotor blades

Acoustic measurements were taken of a modern helicopter rotor with four blade tip shapes in the NASA Ames 40-by-80-Foot Wind Tunnel. The four tip shapes are: rectangular, swept, trapezoidal, and swept tapered in platform. Acoustic effects due to tip shape changes were studied based on the dBA level, peak noise pressure, and subjective rating. The swept tapered blade was found to be the quietest above an advancing tip Mach number of about 0.9, and the swept blade was the quietest at low speed. The measured high speed impulsive noise was compared with theoretical predictions based on thickness effects; good agreement was found.

Lee, A.↗

SiC Optically Modulated Field-Effect Transistor

An optically modulated field-effect transistor (OFET) based on a silicon carbide junction field-effect transistor (JFET) is under study as, potentially, a prototype of devices that could be useful for detecting ultraviolet light. The SiC OFET is an experimental device that is one of several devices, including commercial and experimental photodiodes, that were initially evaluated as detectors of ultraviolet light from combustion and that could be incorporated into SiC integrated circuits to be designed to function as combustion sensors. The ultraviolet-detection sensitivity of the photodiodes was found to be less than desired, such that it would be necessary to process their outputs using high-gain amplification circuitry. On the other hand, in principle, the function of the OFET could be characterized as a combination of detection and amplification. In effect, its sensitivity could be considerably greater than that of a photodiode, such that the need for amplification external to the photodetector could be reduced or eliminated. The experimental SiC OFET was made by processes similar to JFET-fabrication processes developed at Glenn Research Center. The gate of the OFET is very long, wide, and thin, relative to the gates of typical prior SiC JFETs. Unlike in prior SiC FETs, the gate is almost completely transparent to near-ultraviolet and visible light. More specifically: The OFET includes a p+ gate layer less than 1/4 m thick, through which photons can be transported efficiently to the p+/p body interface. The gate is relatively long and wide (about 0.5 by 0.5 mm), such that holes generated at the body interface form a depletion layer that modulates the conductivity of the channel between the drain and the source. The exact physical mechanism of modulation of conductivity is a subject of continuing research. It is known that injection of minority charge carriers (in this case, holes) at the interface exerts a strong effect on the channel, resulting in amplification of the photon-detection signal. A family of operating curves characterizing the OFET can be generated in a series of measurements performed at different intensities of incident ultraviolet light.

Tabib-Azar, Massood↗

Causality Extraction from Nuclear Licensee Event Reports Using a Hybrid Framework

In this paper, we proposed a hybrid framework for causality detection and extraction in LER documents. The main contributions are summarized below. We 1) built an LER corpus with 20,129 text samples for causality analysis, 2) developed an interactive tool was developed for labeling cause-effect pairs, 3) built a deep learning-based approach for causal relation detection, and 4) built a knowledge-based cause-effect extraction approach.

99 GENERAL AND MISCELLANEOUS↗

Synthesis and Photophysics of Phenylene Based Triplet Donor–Acceptor Dyads: ortho vs. para Positional Effect on Intramolecular Triplet Energy Transfer

Two phenylene based geometrical/isomeric triplet ortho- and para–dyads (o–3 and p–3, respectively) were synthesized and fully characterized using advanced photophysical tools and computations. In dyad o–3, the through-space donor-acceptor interactions led to simultaneous triplet energy transfer and charge transfer with identical kinetics. On the other hand, in the dyad p–3, it was found that the phenylene spacer favors a fast triplet energy delocalization over the charge transfer process. Furthermore, analysis of the results from the present investigation indicates that the deactivation of the photo-excited species (o–3)* occurs through both the intrinsic channel viz. S0←S1 and charge recombination. In the case of dyad p–3, the results indicate that the primary deactivation pathway is self-quenching or triplet-triplet annihilation involving the acceptor unit(s).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effectiveness of supervised exercise, home-based exercise, or walk advice strategies on walking performance and muscle endurance in patients with intermittent claudication (SUNFIT trial): a randomized clinical trial

Abstract Aims Supervised exercise is a guideline-recommended treatment in intermittent claudication (IC). Hospital-based supervised exercise programmes (SEPs) are underutilized, while home-based structured exercise programmes (HSEPs) have attracted interest. The results from HSEP in IC are inconsistent and may confer no benefit over walk advice (WA) and be less effective than SEP. The aim of the study was to compare the effectiveness of best medical treatment, including Nordic pole WA alone, or WA + SEP or WA + HSEP for patients with IC. Methods and results This three-armed, multicentre randomized clinical trial enrolled patients with IC; all patients received best medical treatment including walking poles and the advice of regular Nordic pole walking (WA). For HSEP and SEP, additional exercise programmes were provided. The primarily investigated hypothesis was a non-inferiority analysis of SEP vs. HSEP regarding the 6-min walk test (6MWT) maximum distance, with a pre-defined non-inferiority margin of 50 m. Supporting outcomes included muscle endurance tests and the walking impairment questionnaire. Outcomes were assessed at baseline, 3, 6, and 12 months by a blinded evaluator. Altogether 166 patients (mean age 72 years; 59% males) were randomized. In HSEP and SEP, 24 and 26% patients, respectively, were fully exercise adherent. All three groups improved pain-free walking distance over time, but there were no significant intergroup differences. The intergroup 6MWT difference between SEP and HSEP from 0 to 12 months was –11.6 m, 95% confidence interval: –36.4 to 13.0 m (i.e. within the pre-specified non-inferiority margin). Conclusion The HSEP was non-inferior to SEP in patients with IC. There were no significant differences observed between the three groups at 1 year. Registration ClinicialTrials.gov: NCT02341716.

Sandberg, Anna (ORCID:0000000258432784)↗

Effect of Multiple-Jets Exits on the Base Pressure of a Simple Wing-Body Combination at Mach Numbers of 0.6 to 1.27

An investigation has been conducted at Mach numbers of 0.6 to 1.27 to determine the effect of multiple-jet exits on the base pressure of a simple wing-body combination. The design Mach number of the nozzles ranged from 1 to 3 at jet exit diameters equal to 36.4 to 75 percent of the model thickness. Jet total-pressure to free-stream static-pressure ratios ranged from 1 (no flow) to 34.2. The results show that the variation of base pressure coefficient with jet pressure ratio for the model tested was similar to that obtained for single nozzles in bodies of revolution in other investigations. As in the case for single jets the base pressure coefficient for the present model became less negative as the jet exit diameter increased. For a constant throat diameter and an assumed schedule of jet pressure ratio over the speed range of these tests, nozzle Mach number had only a small effect on base pressure coefficient.

Cubbage, James M., Jr.↗

Independent Orbiter Assessment (IOA): Analysis of the orbiter main propulsion system

The results of the Independent Orbiter Assessment (IOA) of the Failure Modes and Effects Analysis (FMEA) and Critical Items List (CIL) are presented. The IOA approach features a top-down analysis of the hardware to determine failure modes, criticality, and potential critical items (PCIs). To preserve independence, this analysis was accomplished without reliance upon the results contained within the NASA FMEA/CIL documentation. The independent analysis results for the Orbiter Main Propulsion System (MPS) hardware are documented. The Orbiter MPS consists of two subsystems: the Propellant Management Subsystem (PMS) and the Helium Subsystem. The PMS is a system of manifolds, distribution lines and valves by which the liquid propellants pass from the External Tank (ET) to the Space Shuttle Main Engines (SSMEs) and gaseous propellants pass from the SSMEs to the ET. The Helium Subsystem consists of a series of helium supply tanks and their associated regulators, check valves, distribution lines, and control valves. The Helium Subsystem supplies helium that is used within the SSMEs for inflight purges and provides pressure for actuation of SSME valves during emergency pneumatic shutdowns. The balance of the helium is used to provide pressure to operate the pneumatically actuated valves within the PMS. Each component was evaluated and analyzed for possible failure modes and effects. Criticalities were assigned based on the worst possible effect of each failure mode. Of the 690 failure modes analyzed, 349 were determined to be PCIs.

Mcnicoll, W. J.↗

Classifying Urban Land Covers Using Local Indices of Spatial Complexity

The skewed statistical distributions of land cover types in complex, heterogeneous urban areas limits the effectiveness of traditional spectrally based maximum-likelihood classifiers. This work examines the utility of fractal dimension and Moran's I index of spatial autocorrelation in segmenting high-resolution panchromatic and lower-resolution multispectral imagery. Tools available in the Image Characterization and Modeling System (ICAMS) were used to analyze multi-temporal and multi-platform imagery of Atlanta, Georgia. In this example, land cover change trajectories from forest or grassland to built up land covers lead to decreased spatial autocorrelation. In lower resolution imagery such as Landsat MSS, the complex details of forested land covers and urbanized areas are smoothed, and texture-based change detection is less effective. Although segmentation of panchromatic images is possible using fractal dimension or Moran's I, widely differing land covers often yield similar values of these indices. Better results are obtained when a surface of local fractal dimension or spatial autocorrelation is combined as an additional layer in a supervised maximum-likelihood multispectral classification.

Arumugam, Mahesh↗

Reduction of Base Drag on Launch Vehicles

This report describes the work accomplished during a first-year investigation of base drag reduction for launch vehicles. Interest in this work has arisen due to the large base areas associated with the current generation of launch vehicles. For example, the X-33 and Venture Star configurations all have large base areas because of the aero-spike engines they use. Because of the large base-to-wetted area ratios of these vehicles, the majority of the vehicle drag is due to base drag. Based on previous research, there appears to be a means for reducing the base drag on such vehicles. A clear relationship between viscous fore-body drag and base drag was demonstrated. For subsonic flow conditions, an increase in fore-body drag causes a decrease in base drag. This base-drag reduction is a result of boundary layer effects at the base of the vehicle. The shear layer that develops from the boundary layer separating at the back of the vehicle is the conduit through which momentum is transferred from the high energy free-stream flow to the low-energy fluid in the base area. One way to think of the base drag is that it is the momentum required to accelerate this low-energy fluid. The boundary layer that develops on the fore body acts as an "insulator" between the external flow and the low-energy air at the base. As the viscous fore-body drag is increased, the boundary layer thickness at the aft end of the fore body increases, thereby reducing the rate at which momentum is transferred to the base area. As a result of the lower momentum transfer (or reduced pumping), the base pressure coefficient rises resulting in a reduction of base drag.

Naughton, Jonathan↗

Domain Collapse in Grooved Magnetic Garnet Material

Domain collapse fields in grooved garnet material were investigated by experimental observation and numerical simulation. The results indicate that the change in domain collapse field is largely due to magnetostatic effects produced by the groove edge. A simplified model based on the effective field produced at a groove edge, and local changes in the material thickness explain the observed trends very well.!.

Grooved Magnetic Garnet Material↗

Effects of Sting-Support Diameter on the Base Pressures of an Elliptic Cone at Mach Numbers from 0.60 to 1.40

Measurements were made to determine the effects of sting-support diameter on the base pressures of an elliptic cone with ratio of cross-section thickness to width of 1/3 and a plan-form, semi-apex angle of 15 deg. The investigation was made for model angles of attack from -2 deg to +20 deg at Mach numbers from 0.60 to 1.40, and for a constant Reynolds number of 1.4 million, based on the length of the model. The results indicated that the sting interference decreased the base axial-force coefficients by substantial amounts up to a maximum of about one-third the value of the coefficient for no sting interference. There was no practical diameter of the sting for which the effects of the sting on the base pressures would be negligible throughout the Mach number and angle-of-attack ranges of the investigation.

Stivers, Louis S., Jr.↗

Comparison of Oxygen Gauche Effects in Poly(Oxyethylene) and Poly(ethylene terephtylene) Based on Quantum Chemistry Calculations

The so-called oxygen gauche effect in poly(oxyethylene) (POE) and its model molecules such as 1,2-dimethoxyethane (DME) and diglyme (CH3OC2H4OC2H4OCH3) is manifested in the preference for gauche C-C bond conformations over trans. This has also been observed for poly(ethylene terephthalate) (PET). Our previous quantum chemistry calculations demonstrated that the large C-C gauche population in DME is due, in part, to a low-lying tg +/- g+ conformer that exhibits a substantial 1,5 CH ... O attraction. New calculations will be described that demonstrate the accuracy of the original quantum chemistry calculations. In addition, an extension of this work to model molecules for PET will be presented. It is seen that the C-C gauche preference is much stronger in 1,2 diacetoxyethane than in DME. In addition, there exist low-lying tg +/- g+/- and g+/-g+/-g+/- conformers that exhibit 1,5 CH ... O attractions involving the carbonyl oxygens. It is expected that the -O-C-C-O- torsional properties will be quite different in these two polymers. The quantum chemistry results are used to parameterize rotational isomeric states models (RIS) and force fields for molecular dynamics simulations of these polymers.

Jaffe, Richard↗

A Vibrational Energy Harvesting Sensor Based on Linear and Rotational Electromechanical Effects

In this investigation, a magnetically coupled double-spring design is presented for harvesting low-level non-stationary random vibrational energy. The sensor relies on multimodal coupling between the translation and rotation of a two-spring magnet and coil system to widen the harvesting bandwidth. Energy methods are used to develop a model to characterize the electromechanical response of the system, the solution of which is obtained using stochastic techniques based on a particle swarm algorithm. This approach provides an efficient method to estimate system parameters that otherwise are difficult or impossible to determine with independent measurements. The experimental results demonstrate agreement with the theoretical predictions over a limited bandwidth. The sensor can effectively harvest non-stationary vibration energy down to 10 -4 g within a limited bandwidth of 130–150 Hz. The sensor prototype has an operational volume of 2.6 cm 3 with a calculated power density of 0.2 W/cm 3 . The sensor’s small size results in a coupling efficiency of approximately 6% across the tested bandwidth.

42 ENGINEERING↗