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At least 487 records · Page 27

Structural coherence model for predicting molten salt thermal conductivity informed by the pair distribution function

To enable thermal behavior prediction and design optimization of molten salt reactors, thermal conductivity of molten salts must be characterized in terms of salt composition and temperature. Current theoretical models fail to provide consistent approximations for all halide mixtures, particularly actinide-bearing melts. This study aims to link the short-range order structure of molten salts to the mean free path of energy carriers through a simple structural coherence model informed by the partial pair distribution function. The proposed method is used to predict the thermal conductivity of 33 alkali and alkaline earth halide salts. Predictions approximate experimental measurements with a mean absolute error of 15.7% for dissociating, complexing, and actinide salts, including unary LiCl, NaCl, and MgCl 2 as well as mixtures LiF–NaF–KF (FLiNaK), LiF–BeF 2 (FLiBe), and NaCl–UCl 3 . The work provides evidence for the validity of energy carrier descriptions of molecular-level heat transfer in molten salts, with implications for improved theories of liquid energy transport in general.

Actinide mixtures↗

Influence of electronic transport on electrochemical performance of (Cu,Mn) 3 O 4 solid oxide fuel cell cathodes

Alkaline Earth free spinel oxides provide a potential benefit over Sr-doped perovskite-based materials commonly used as electrodes in high-temperature electrochemical energy conversion devices, e.g., solid oxide fuel cells (SOFCs). Sr-segregation is a known issue leading to performance degradation. In this study, Cu x Mn 3-x O 4 (x = 1, 1.2, and 1.5) porous electrodes were examined as SOFC cathodes using electrochemical impedance spectroscopy to investigate the oxygen reduction reaction (ORR) kinetics in relation to the material's intrinsic conductivity, the extrinsic electrode structure, and the cell test design. Similar to the electronic conducting (La,Sr)MnO 3 SOFC cathodes, the ORR kinetics of Cu x Mn 3-x O 4 spinel electrodes was governed by the oxygen adsorption and diffusion at the particle surface as well as the charge transfer at the triple phase boundaries. The overall electrode polarization resistance was highly dependent on contact density with the metallic current collector, active material particle connectivity, electrode thickness, and the intrinsic electronic materials conductivity. Here, we describe the importance of effective electronic charge transport parallel to the electrode surface in maximizing the electrochemically active electrode volume and enhancing electrode performance. We discuss an approach to optimize cell and electrode design with respect to active materials properties. This aspect is critical to ensure reliable evaluation of new materials, since laboratory-scale button-cells typically exhibit a high degree of electrode microstructure (e.g. porosity, thickness) and electrical contact density variation from sample to sample.

(Cu,Mn)3O4↗

Water, Ion, and Proton Dynamics and Interactions in Nanoconfined Systems

The research was directed at understanding the role that nanoconfinement has on the dynamics and structure of liquids confined in nanometer size structures. Experiments were conducted using ultrafast infrared methods. The methods were two dimensional infrared (2D IR) spectroscopy and polarization pump-probe (PSPP) experiments. In addition FT-IR spectroscopy was used. To augment the experimental work, high level molecular dynamics simulations of the systems were conducted. The system used for confinement were nanoporous silica with essentially monodispersed pores. Pores of different diameters were studies, i.e., 2.5 nm to 8 nm. Water and organic liquids were investigated. The experiments were performed on a vibrational probe molecule, i.e., the CN stretch of the anion SeCN-. The 2D IR experiments measured spectral diffusion, which directly reported on the structural dynamics of the confined liquids. 2D IR was also used to perform chemical exchange measurements, which observed the formation and dissociation of molecular complexes with surface silanols. The PSPP experiments measured orientational relaxation of the probe molecule as well as it vibrational lifetime. All of the observables depended on the diameter of the pores and the type of liquid. The simulations of the observables provided detailed structural information on the structure of the confined liquids and there interactions with the surfaces. In addition to the study of the confinement in nanopores, water in hydrogels was also studied. The same experimental methods were used along with MD simulations. It was found the influence of hydrogels on water did not come from confinement of the water in the hydrogel polymer network, but rather from the interactions of the water with the individual monomers that compose the polymer. In addition, the temperature dependence of a polymer/water system was tracked from below to above the lower critical solution temperature to observe the nature of the phase separated polymer and how water responded to the phase separation.

36 MATERIALS SCIENCE↗

Solder hermetic sealing for OLEDs

An OLED device comprising a substrate with a top surface; a first electrode covering the top surface of the substrate; a first insulating structure patterned over a portion of the first electrode where the pattern defines an inside area of the first electrode that is completely surrounded by the insulating structure, and an outside area of the first electrode not covered by the insulating structure; at least one organic layer for light emission within the inside area defined by the insulating structure; a second electrode over the at least one organic layer within the inside area defined by the insulating structure and at least partially over the first insulating structure; a cover slip located at least over the second electrode in the inside area defined by the insulating structure; and an electrically conductive solder seal making a hermetic seal between the insulating structure and the cover slip where the solder seal is in electrical contact with the second electrode. The insulating structure is desirably made of glass frit.

42 ENGINEERING↗

Pre-Test Analysis Predictions for the Shell Buckling Knockdown Factor Checkout Tests - TA01 and TA02

This report summarizes the pre-test analysis predictions for the SBKF-P2-CYL-TA01 and SBKF-P2-CYL-TA02 shell buckling tests conducted at the Marshall Space Flight Center (MSFC) in support of the Shell Buckling Knockdown Factor (SBKF) Project, NASA Engineering and Safety Center (NESC) Assessment. The test article (TA) is an 8-foot-diameter aluminum-lithium (Al-Li) orthogrid cylindrical shell with similar design features as that of the proposed Ares-I and Ares-V barrel structures. In support of the testing effort, detailed structural analyses were conducted and the results were used to monitor the behavior of the TA during the testing. A summary of predicted results for each of the five load sequences is presented herein.

Thornburgh, Robert P.↗

Science applications

Possible scientific applications in the field of the neutral ionized atmosphere and of the solid Earth in terms of the TSS are summarized. Studies of the vertical, zonal, and meridional neutral winds and temperature, whose extensive variations suggest the importance of energy transfer mechanism in modifying the structural properties of the region are reviewed. Layers below the F region of high plasma density that propagate to lower altitudes with drift velocities will be studied for their electron and ion composition and motion. These are to be measured by the TSS in conjunction with ground based radar observations. Basic fluid dynamics problems will be studied onboard tethered satellites. Studies will be conducted on the structure of the equatorial electrojet, in particular its longitudinal and meridional extent. Magnetic measurements will also be used to probe the tether current distribution in the plasma sheath.

Mariani, F.↗

Measured electric field in the vicinity of a thunderstorm system at an altitude of 37 km

A balloon-borne experiment to measure the atmospheric electric field was flown from the National Scientific Balloon Facility at Palestine, Texas, on July 10, 1973. The electric field and atmospheric conductivity were measured during ascent and for a 4-hour float period at 37-km altitude. Termination of the flight occurred near a thunderstorm line in west Texas. The perturbing influence of the thunderstorms on the electric field was observed at least 100 km from the storm line. The measured electric field is in reasonable agreement with calculations based on simple models of cloud structure and atmospheric conductivity. Large pulses in the measured electric field are interpreted as being the result of intracloud lightning.

Benbrook, J. R.↗

Experimental results using active control of traveling wave power flow

Active structural control experiments conducted on a 24-ft pinned-free beam derived feedback compensators on the basis of a traveling-wave approach. A compensator is thus obtained which eliminates resonant behavior by absorbing all impinging power. A causal solution is derived for this noncausal compensator which mimics its behavior in a given frequency range, using the Wiener-Hopf. This optimal Wiener-Hopf compensator's structure-damping performance is found to exceed any obtainable by means of rate feedback. Performance limitations encompassed the discovery of frequencies above which the sensor and actuator were no longer dual and an inadvertent coupling of the control hardware to unmodeled structure torsion modes.

Miller, David W.↗

Development of a machine vision system for automated structural assembly

Research is being conducted at the LaRC to develop a telerobotic assembly system designed to construct large space truss structures. This research program was initiated within the past several years, and a ground-based test-bed was developed to evaluate and expand the state of the art. Test-bed operations currently use predetermined ('taught') points for truss structural assembly. Total dependence on the use of taught points for joint receptacle capture and strut installation is neither robust nor reliable enough for space operations. Therefore, a machine vision sensor guidance system is being developed to locate and guide the robot to a passive target mounted on the truss joint receptacle. The vision system hardware includes a miniature video camera, passive targets mounted on the joint receptacles, target illumination hardware, and an image processing system. Discrimination of the target from background clutter is accomplished through standard digital processing techniques. Once the target is identified, a pose estimation algorithm is invoked to determine the location, in three-dimensional space, of the target relative to the robots end-effector. Preliminary test results of the vision system in the Automated Structural Assembly Laboratory with a range of lighting and background conditions indicate that it is fully capable of successfully identifying joint receptacle targets throughout the required operational range. Controlled optical bench test results indicate that the system can also provide the pose estimation accuracy to define the target position.

Sydow, P. Daniel↗

Mapping Boreal Forest Spruce Beetle Health Status at the Individual Crown Scale Using Fused Spectral and Structural Data

The frequency and severity of spruce bark beetle outbreaks are increasing in boreal forests leading to widespread tree mortality and fuel conditions promoting extreme wildfire. Detection of beetle infestation is a forest health monitoring (FHM) priority but is hampered by the challenges of detecting early stage (“green”) attack from the air. There is indication that green stage might be detected from vertical gradients of spectral data or from shortwave infrared information distributed within a single crown. To evaluate the efficacy of discriminating “non-infested”, “green”, and “dead” health statuses at the landscape scale in Alaska, USA, this study conducted spectral and structural fusion of data from: (1) Unoccupied aerial vehicle (UAV) multispectral (6 cm) + structure from motion point clouds (~700 pts per sq. m); and (2) Goddard Lidar Hyperspectral Thermal (G-LiHT) hyperspectral (400 to 1000 nm, 0.5 m) + SWIR-band lidar (~32 pts per sq.m). We achieved 78% accuracy for all three health statuses using spectral + structural fusion from either UAV or G-LiHT and 97% accuracy for non-infested/dead using G-LiHT. We confirm that UAV 3D spectral (e.g., greenness above versus below median height in crown) and lidar apparent reflectance metrics (e.g., mean reflectance at 99th percentile height in crown), are of high value, perhaps capturing the vertical gradient of needle degradation. In most classification exercises, UAV accuracy was lower than G-LiHT indicating that collecting ultra-high spatial resolution data might be less important than high spectral resolution information. While the value of passive optical spectral information was largely confined to the discrimination of non-infested versus dead crowns, G-LiHT hyperspectral band selection (~400, 675, 755, and 940 nm) could inform future FHM mission planning regarding optimal wavelengths for this task. Interestingly, the selected regions mostly did not align with the band designations for our UAV multispectral data but do correspond to, e.g., Sentinel-2 red edge bands, suggesting a path forward for moderate scale bark beetle detection when paired with suitable structural data.

Janice Cessna↗

Photogrammetry-Based Analysis of the On-Orbit Structural Dynamics of the Roll-Out Solar Array

The Roll-Out Solar Array (ROSA) flight experiment was launched to the International Space Station (ISS) on June 3rd, 2017. ROSA is an innovative, lightweight solar array with a flexible substrate that makes use of the stored strain energy in its composite structural members to provide deployment without the use of motors. This paper will discuss the results of various structural dynamics experiments conducted on the ISS during the weeks following launch. Data gathered from instrumentation on the solar array wing during the experiments was previously compared with pre-flight predictions from two different Finite Element Modeling (FEM) efforts. In this paper, data generated from photogrammetry is compared with accelerometer data and used to extend previous conclusions. Whereas previous analyses were only able to track the accelerations of six discrete points on the structure and photovoltaic (PV) blanket of ROSA, the photogrammetry analysis makes available displacements for dozens of points distributed throughout the array. This larger data set makes it possible to compare higher-order PV blanket modes with FEM predictions, in addition to verifying conclusions reached using accelerometer data. The goal in this effort was to better understand the performance of ROSA and to improve modeling efforts for future designs of similar solar arrays.

Chamberlain, Matthew K.↗

Tailoring Growth Interfaces of Virtual Substrates for Power Electronics

Power electronics materials are poised to play a critical role in fulfilling next generation energy needs, with up to 90% of future energy demand predicted to flow through power electronics at some point. AlxGa1-xN ranks high among candidate materials, having bipolar dopability, thermal and chemical stability and an ultra-wide bandgap. However, AlGaN growth is limited by a lack of lattice-matched substrates, ultimately stunting material quality at higher thicknesses needed for power electronics applications. Further, high power applications increasingly call for fully vertical device structures, necessitating a conductive substrate. Recently our group identified the (111) plane of TaC as a conductive surface lattice-matched to Al0.55Ga0.45N, taking inspiration from prior work of AlN and GaN binaries on carbide and boride substrates. In this talk we demonstrate the growth of (111)-oriented TaC by RF sputtering. We investigate the interface of TaC with sapphire and SiC substrates and identify means to suppress competing Ta2C nucleation in order to stabilize (111)-oriented TaC. Potential stacking sequences are identified with respect to crystal structure and observed twinning in the TaC films. We next assess structural changes and film recrystallization that results from face-to-face annealing of TaC thin films at high temperatures above 1500 degrees C. Changes to grain structure and domain size are assessed by x-ray diffraction and surface morphology is explored using atomic force microscopy. Figure 1 shows significant improvements to in- and out-of-plane strain following annealing along with the formation of terraced step edges at the film surface. Strain as a function of material composition and thickness is considered, as this may play a major role in future nucleation of AlGaN layers. (1) R. J. in a face-to-face configuration, as illustrated in the schematic at left. Kaplar et al 2017, ECS J. Solid State Sci. Technol. 6 Q3061; (2) D. M. Roberts et al 2022, https://arxiv.org/abs/2208.11769; (3) T. Aizawa et al 2008, J Crys Growth 310, 1 22; (4) R. Liu et al 2002, Appl. Phys. Lett. 81, 3182-3184.

ENGINEERING↗

Detailed studies of the dynamics and energetics of coronal bullets

Coronal bullets are small ejecta of cool, dense plasma observed to accelerate through the solar atmosphere from 20 to 450 km/s. The NRL Dynamic Flux Tube Model has been used to simulate the evolving physical properties of these dynamic events. The present calculations utilize an adaptive-gridding technique to resolve the fine structure within and around the bullets. In this work, an identification was made of a component of shocked plasma which piles up ahead of the bullet and eventually dominates both the dynamics and heating of the original bullet mass. The observational consequences of this shocked component are discussed in terms of the available HRTS EUV data, and suggestions are made for optimizing future observations of this phenomenon. An investigation has also been conducted of the structure of the bullet material visible in EUV spectral lines and the observable characteristics of the EUV-emitting plasma. Finally, the most likely mechanisms for accelerating the bullets, as well as favorable sites of origin are evaluated.

Karpen, J. T.↗

Possibilities for LWIR detectors using MBE-grown Si(/Si(1-x)Ge(x) structures

Traditionally, long wavelength infrared (LWIR) detection in Si-based structures has involved either extrinsic Si or Si/metal Schottky barrier devices. Molecular beam epitaxially (MBE) grown Si and Si/Si(1-x)Ge(x) heterostructures offer new possibilities for LWIR detection, including sensors based on intersubband transitions as well as improved conventional devices. The improvement in doping profile control of MBE in comparison with conventional chemical vapor deposited (CVD) Si films has resulted in the successful growth of extrinsic Si:Ga, blocked impurity-band conduction detectors. These structures exhibit a highly abrupt step change in dopant profile between detecting and blocking layers which is extremely difficult or impossible to achieve through conventional epitaxial growth techniques. Through alloying Si with Ge, Schottky barrier infrared detectors are possible, with barrier height values between those involving pure Si or Ge semiconducting materials alone. For both n-type and p-type structures, strain effects can split the band edges, thereby splitting the Schottky threshold and altering the spectral response. Measurements of photoresponse of n-type Au/Si(1-x)Ge(x) Schottky barriers demonstrate this effect. For intersubband multiquntum well (MQW) LWIR detection, Si(1-x)Ge(x)/Si detectors grown on Si substrates promise comparable absorption coefficients to that of the Ga(Al)As system while in addition offering the fundamental advantage of response to normally incident light as well as the practical advantage of Si-compatibility. Researchers grew Si(1-x)Ge(x)/Si MQW structures aimed at sensitivity to IR in the 8 to 12 micron region and longer, guided by recent theoretical work. Preliminary measurements of n- and p-type Si(1-x)Ge(x)/Si MQW structures are given.

Hauenstein, Robert J.↗

On-Orbit Structural Dynamics Performance of the Roll-Out Solar Array

The Roll-Out Solar Array (ROSA) flight experiment was launched to the International Space Station (ISS) on June 3rd, 2017. ROSA is an innovative, lightweight solar array with a flexible substrate that makes use of the stored strain energy in its composite structural members to provide deployment without the use of motors. This paper will discuss the results of various structural dynamics experiments conducted on the ISS during the weeks following launch. Data gathered from instrumentation on the solar array wing during the experiments are compared with pre-flight predictions from two different finite element modeling efforts. Two distinct methods were used to reconstruct the modal characteristics of ROSA from the data collected on orbit. Of particular interest in this effort are the first few system modes and mode shapes of the array, the amount of structural damping present, and degree of structural thermal interaction seen during eclipse exit. Discrepancies between the behavior predicted by the models and that observed on orbit are identified and discussed. The goal in this effort was to better understand the performance of ROSA and to improve modeling efforts for future designs of similar solar arrays.

Chamberlain, Matthew K.↗

Tailoring Growth Interfaces of Virtual Substrates for Power Electronics

Power electronics materials are poised to play a critical role in fulfilling next generation energy needs, with up to 90% of future energy demand predicted to flow through power electronics at some point.[1] Among a number of candidate materials, AlxGa1-xN is the strongest, having bipolar dopability, thermal and chemical stability, an ultra-wide bandgap, and demonstrated experimental feasibility. However, AlGaN growth is limited by a lack of lattice-matched substrates, ultimately stunting material quality at higher thicknesses needed for power electronics applications. Further, high power applications increasingly call for fully vertical device structures, necessitating a conductive substrate. [1] Recently our group identified the (111) plane of TaC as a conductive surface lattice-matched to Al0.55Ga0.45N, taking inspiration from prior work of AlN and GaN binaries on carbide and boride substrates. [2,3,4] In this talk we demonstrate the growth of (111)-oriented TaC by RF sputtering. We investigate the interface of TaC with sapphire and SiC substrates and identify means to suppress competing Ta2C nucleation in order to stabilize (111)-oriented TaC. Potential stacking sequences are identified with respect to crystal structure and observed twinning in the TaC films. We next assess structural changes and film recrystallization that results from face-to-face annealing of TaC thin films at high temperatures above 1500 degrees Celsius. Changes to grain structure and domain size are assessed by x-ray diffraction and surface morphology is explored using atomic force microscopy. Figure 1 shows significant improvements to in- and out-of-plane strain following annealing along with the formation of terraced step edges at the film surface. Strain as a function of material composition and thickness is considered, as this may play a major role in future nucleation of AlGaN layers.

CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SU↗

Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS

The anaerobic bacterium Geobacter sulfurreducens produces extracellular, electronically conductive cytochrome polymer wires that are conductive over micron length scales. Structure models from cryo-electron microscopy data show OmcS wires form a linear chain of hemes along the protein wire axis, which is proposed as the structural basis supporting their electronic properties. However, the mechanism by which this heme arrangement supports long-range electronic conduction remains unknown. Structure models from cryo-electron microscopy data show these wires form a linear chain of hemes along the protein wire axis, which is proposed as the structural basis supporting their electronic properties. Existing computational models using static heme redox potentials and coupling energies fail to explain experimental observations, predicting conductances 10,000 to 100,000 times lower than measured values. Here, we investigate how dynamic disorder affects site energies, interheme coupling, and long-range electronic conductivity within these cytochrome wires. We introduce an approach to extract charge carrier site information directly from Kohn–Sham density functional theory, without employing projector schemes, and show that site and coupling energies are highly sensitive to changes in interheme geometry and the surrounding electrostatic environment. Unlike models that incorporate dynamic disorder as a thermally averaged quantity, our quantum charge carrier model incorporates proxies for dynamic disorder through decoherence corrections, yielding predicted diffusion coefficient closer to what is expected from experiment and comparable with other organic-based electronic materials. Based on these simulations, we propose that the instantaneous fluctuations of the local electrostatic environment can transiently lift energy degeneracies and delocalize charge carriers. Furthermore, these studies reveal how incorporating dynamic fluctuations associated with the environment resolves the discrepancy between theory and experiment in microbial cytochrome wires and highlight design principles for bioinspired, heme-based conductive materials.

Bioinorganic chemistry↗

Structural testing of concorde aircraft: Further report on United Kingdom tests

A summary of tests conducted on the Concorde aircraft nacelle structure is presented. The tests were conducted as a part of the structural development and certification program. The nacelle structural specimens are described. The problems associated with the intake testing and engine-bay and nozzle testing are discussed.

Harpur, N.↗