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At least 1,477 records · Page 82

Alkali-Metal Interlocking of 2D V 4 O 10 Sheets Defines Discretized Interlayer Shear Relationships

Low-dimensional materials manifest structural anisotropy, quantum confinement, and tightly bound excitonic states, which make them attractive building blocks that can be assembled within three-dimensional laterally stitched heterostructures, stacked van der Waals solids, and complex moiré superlattices. Ion intercalation in the galleries between layered materials provides a means of modifying interlayer separation and coupling, but it is also known to drive the shearing of the layers. In this article, we explore the distinct ligand coordination environments afforded by vanadyl oxygens of singular [V 4 O 10 ] sheets and examine how the size, polarizability, and stoichiometry of Group I cations sandwiched between such layers determine the interlocking of the sheets in stacked structures. Based on the topochemical insertion of alkali-metal ions into the layered λ-V 2 O 5 , we identify seven types of guest ion coordination sites discretized into four distinct regimes of interlayer shear in units of half octahedral widths. The coordination preferences of intercalated cations govern how they interlock 2D [V 4 O 10 ] sheets and engender specific shear conformations. We present evidence that static and dynamic disorder in guest ion arrangement modulate the magnetic structure of the intercalated compounds based on electrostatic polarization, localization of charge and spin density, and lattice distortion. The results illustrate the use of topochemical ion insertion to modulate stacking relationships and magnetic transition characteristics.

36 MATERIALS SCIENCE↗

Atom vacancies and electronic transmission Stark effects in boron nanoflake junctions

Finite-sized boron nanomaterials have received little attention in comparison to their graphene-like 2D boron analogues. It is with systems of precise atomic structures where the electrical conductance can be most fruitfully analyzed at the fundamental level. To understand how conductance varies with respect to the electronic structure, and particularly with vacancies, we study finite-sized boron nanoflakes (BNFs) and closely examine their remarkable changes in physical properties. Unlike carbon-based materials, we find from non-equilibrium Green's functions density functional theory (NEGF-DFT) calculations that the charge transport of BNFs with 35–37 atoms is modulated by site-specific atomic vacancies. Here, the BNF with no vacancy (B 37 ) shows significantly lower conductivity (9.23 μS), than B 36 with one vacancy (46.1 μS), and lower still than with two vacancies (B 35 , 54.2 μS). From the thermopower function, these nanomaterials change from strong hole conductors to electron and back to hole conductors with the addition of each vacancy, from a doublet (B 37 ) to singlet (B 36 ) to doublet (B 35 ) ground state, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scoping Review of Global Offshore Geologic Carbon Storage Activities

This technical report documents an inventory of offshore geologic carbon storage (GCS) sites globally, with a focus on existing, operating international sites and those characterized in the United States, indicating the type and variety of GCS efforts. Regional overviews provide a high-level understanding of basin-scale geology and history of GCS globally. Key aspects documented in this review include geological formation types, depth, play style, project size, timeline, existing infrastructure, environmental challenges, and potential risks. This review also includes a summary of the regulatory frameworks globally, as well as environmental, social, and commercial considerations.

54 ENVIRONMENTAL SCIENCES↗

Terrestrial gravity instrumentation in the 20th Century: A brief review

At the turn of the century, only pendulum apparatuses and torsion balances were available for general exploration work. Both of these early techniques were cumbersome and time-consuming. It was no wonder that the development of the gravity meter was welcomed with a universal sigh of relief. By 1935 potential field measurements with gravity meters supplanted gradient measurements with torsion balances. Potential field measurements are generally characterized by three types: absolute - measurements are made in fundamental units, traceable to national standards of length and time at each observation site; relative with absolute scale - differences in gravity are measured in fundamental units traceable to national standards of length and time; and relative - differences in gravity are measured with arbitrary scale. Improvements in the design of gravity meters since their introduction has led to a significant reduction in size and greatly increased precision. As the precision increased, applications expanded to include the measurement of crustal motion, the search for non-Newtonian forces, archeology, and civil engineering. Apart from enhancements to the astatic gravity meter, few developments in hardware were achieved. One of these was the vibrating string gravity meter which was developed in the 1950s and was employed briefly for marine and borehole applications. Another is the cryogenic gravity meter which utilizes the stability of superconducting current to achieve a relative instrument with extremely low drift suitable for tidal and secular gravity measurements. An advance in performing measurements from a moving platform was achieved with the development of the straight-line gravity meter. The latter part of the century also saw the rebirth of gradient measurements which offers advantages for observations from a moving platform. Definitive testing of the Bell gradiometer was recently reported.

Valliant, H. D.↗

Monte Carlo Computational Modeling of the Energy Dependence of Atomic Oxygen Undercutting of Protected Polymers

A Monte Carlo computational model has been developed which simulates atomic oxygen attack of protected polymers at defect sites in the protective coatings. The parameters defining how atomic oxygen interacts with polymers and protective coatings as well as the scattering processes which occur have been optimized to replicate experimental results observed from protected polyimide Kapton on the Long Duration Exposure Facility (LDEF) mission. Computational prediction of atomic oxygen undercutting at defect sites in protective coatings for various arrival energies was investigated. The atomic oxygen undercutting energy dependence predictions enable one to predict mass loss that would occur in low Earth orbit, based on lower energy ground laboratory atomic oxygen beam systems. Results of computational model prediction of undercut cavity size as a function of energy and defect size will be presented to provide insight into expected in-space mass loss of protected polymers with protective coating defects based on lower energy ground laboratory testing.

Banks, Bruce A.↗

Thermographic Data Analyses for Karst Watersheds

Aerial thermography is an emerging technology unsurpassed for locating groundwater discharges. Thermography can be used to locate submerged discharges that are extremely difficult to find by other means. In two large projects, thermography was used to identify almost every significant spring at sites underlain by karst aquifers. This technology effectively converts Brown's Type 5 topology to types 1 or 2 (all discharges known), which has a significant impact on dye tracing. At a north Alabama site, springs located by thermography quadrupled the known groundwater discharge in and around the site. For submerged discharges, thermographic temperatures can be measured down the center of the groundwater plume that rises to the surface in the winter. Using the Cornell Mixing (CORMIX) model, flow rate for one submerged spring was estimated. Once identified, estimates of spring recharge area were desired. The size of the area of recharge was estimated by hydrograph separation of flow data from nearby, unregulated surface streams. Monthly recharge estimates were also made and used to show that in north Alabama the mean annual recharge/discharge occurs during May and December. Spring flow measurements for the same county of north Alabama were averaged to obtain mean flows. Then measurements for May only, were averaged. The two averages usually agreed to within 20 percent. This provides evidence that hydrograph separation determinations of recharge are valid.

Campbell, C. Warren↗

Marshall Space Flight Center's Tower Vector Magnetograph: Upgrades, Hardware, and Operations for the HESSI Mission

The Marshall Space Flight Center's (MSFC) solar group announces the successful upgrade of our tower vector magnetograph. In operation since 1973, the last major alterations to the system (which includes telescope, filter, polarizing optics, camera, and data acquisition computer) were made in 1982, when we upgraded from an SEC Vidicon camera to a CCD. In 1985, other changes were made which increased the field-of-view from 5 x 5 arc min (2.4 arc sec per pixel) to 6 x 6 arc min with a resolution of 2.81 arc sec. In 1989, the Apollo Telescope Mount H-alpha telescope was coaligned with the optics of the magnetograph. The most recent upgrades (year 2000), funded to support the High Energy Solar Spectroscopic Imager (HESSI) mission, have resulted in a pixel size of 0.64 arc sec over a 7 x 5.2 arc min field-of-view (binning 1x1). This poster describes the physical characteristics of the new system and compares spatial resolution, timing, and versatility with the old system. Finally, we provide a description of our Internet web site, which includes images of our most recent observations, and links to our data archives, as well as the history of magnetography at MSFC and education outreach pages.

Adams, M. L.↗

Application of HARLIE Measurements in Mesoscale Studies: Measurements of Aerosol Backscatter and Winds During A Gust Front

Lidar atmospheric systems have required large telescope for receiving atmospheric backscatter signals. Thus, the relative complexity in size and ease of operation has limited their wider use in the atmospheric science and meteorology community. The Holographic Airborne Rotating Lidar Instrument Experiment (HARLIE) uses a scanning holographic receiver and demonstrates that these issues can be overcome. HARLIE participated at the DOE-ARM Southern Great Plains site (CART) during the Water Vapor Intensive Operation Period (WVIOP2000) held September-October 2000. It provided exceptional high temporal and spatial resolution measurements of aerosol and cloud backscatter in three dimensions. HARLIE recorded over 110 hours of data were recorded on 16 days between 17 September and 6 October 2000. Placed in a ground-based trailer for upward looking scanning measurements of clouds and aerosols, HARLIE provided a unique record of time-resolved atmospheric backscatter at 1-micron wavelength. The conical scanning lidar measures atmospheric backscatter on the surface of an inverted 90 degree (full angle) cone up to an altitude of 20 km, 360-degree scans having spatial resolutions of 20 meters in the vertical and 1 degree in azimuth were obtained every 36 seconds during the daily, operating period. In this study we present highlights of HARLIE-based measurements of the boundary layer and cloud parameters as well as atmospheric wind vectors where there is sufficiently resolved structure in the backscatter. In particular we present data and discussions from a bore-front case observed on 23 September 2000.

Demoz, Belay↗

Using Remote Sensing Platforms to Estimate Near-Surface Soil Properties

Evaluation of near-surface soil properties via remote sensing (RS) could facilitate soil survey mapping, erosion prediction, fertilization regimes, and allocation of agrochemicals. The objective of this study was to evaluate the relationship between soil spectral signature and near surface soil properties in conventionally managed row crop systems. High resolution RS data were acquired over bare fields in the Coastal Plain, Appalachian Plateau, and Ridge and Valley provinces of Alabama using the Airborne Terrestrial Applications Sensor (ATLAS) multispectral scanner. Soils ranged from sandy Kandiudults to fine textured Rhodudults. Surface soil samples (0-1 cm) were collected from 163 sampling points for soil water content, soil organic carbon (SOC), particle size distribution (PSD), and citrate dithionite extractable iron (Fed) content. Surface roughness, soil water content, and crusting were also measured at sampling. Results showed RS data acquired from lands with less than 4 % surface soil water content best approximated near-surface soil properties at the Coastal Plain site where loamy sand textured surfaces were predominant. Utilizing a combination of band ratios in stepwise regression, Fed (r2 = 0.61), SOC (r2 = 0.36), sand (r2 = 0.52), and clay (r2 = 0.76) were related to RS data at the Coastal Plain site. In contrast, the more clayey Ridge and Valley soils had r-squares of 0.50, 0.36, 0.17, and 0.57. for Fed, SOC, sand and clay, respectively. Use of estimated eEmissivity did not generally improve estimates of near-surface soil attributes.

Sullivan, D. G.↗

40Ar/39Ar Ages of Carbonaceous Xenoliths in 2 HED Meteorites

The generally young K/Ar and 40Ar/39Ar ages of CM chondrites made us wonder whether carbonaceous xenoliths (CMX) entombed in Howardite–Eucrite–Diogenite (HED) meteorites might retain more radiogenic 40Ar than do ‘free-range’ CM-chondrites. To find out, we selected two HED breccias with carbonaceous inclusions in order to compare the 40Ar/39Ar release patterns and ages of the inclusions with those of nearby HED material. Carbonaceous inclusions (CMXs) in two HED meteorites lost a greater fraction of radiogenic 40Ar than did surrounding host material, but a smaller fraction of it than did free-range CM-chondrites such as Murchison or more heavily altered ones. Importantly, however, the siting of the CMXs in HED matrix did not prevent the 40Ar loss of about 40 percent of the radiogenic 40Ar, even from phases that degas at high laboratory temperatures. We infer that carbonaceous asteroids with perihelia of 1 astronomical unit probably experience losses of at least this size. The usefulness of 40Ar/39Ar dating for samples returned from C-type asteroids may hinge, therefore, on identifying and analyzing separately small quantities of the most retentive phases of carbonaceous chondrites.

Turrin, B.↗

The Dragonfly Entry and Descent System

Dragonfly is a proposed New Frontiers class mission that will send a nuclear powered octocopter to the surface of Titan for an extended science mission. This presentation will provide an overview of the Entry and Descent system that is under development to ensure the save delivery of this unique "relocatable lander" to Titan. Titan's dense atmosphere, large atmospheric scale height, and low gravity allows for a slow-paced entry and descent sequence that lasts more than 100 minutes, as opposed to the "7 minutes of terror" that is charac-teristic of landed Mars missions. This slow pace al-lows for sufficient temporal separation between critical events of the EDL sequence to minimize overall risk.The Dragonfly entry and descent system is composed of high-heritage components, minimizing overall risk. The aeroshell will be a scaled Genesis Sample Return capsule with a diameter of 3.75 meters, built by Lock-heed Martin. The thermal protection system (TPS) is made up of Phenolic Impregnated Carbon Ablator-Domestic (PICA-D) on the heatshield, SLA-561V on the backshell, and SLA-220M on the aft cover and low gain antenna. Each material has extensive heritage for the chosen application. The spacecraft will enter Titan at a velocity of 7.3 km/s, resulting in a predicted fully margined stagnation point heating environment of 254 W/cm2 heat rate and 13 kJ/cm2 heat load, well within the tested limits of the chosen materials. The aeroheat-ing environments, including the significant contribu-tion of shock layer radiation from CN on both the heatshield and backshell, are evaluated using state of the art models and codes that have been validated with appropriate ground testing.Once the deceleration pulse is complete, a disk-gap-band (DGB) drogue parachute will be deployed at ap-proximately Mach 1.5 to stabilize and further deceler-ate the spacecraft. Due to the dense atmosphere, the spacecraft will spend more than 80 minutes on this parachute, until reaching an appropriate altitude to de-ploy the subsonic main parachute. The lander is re-leased after approximately 17 minutes on the main chute before releasing and transitioning to powered flight in order to navigate to its first landing site. The release of the lander from the backshell effectively ends the entry and descent portion of the mission.The full presentation will provide additional details about the design of the EDL system hardware, engi-neering design, and overall con-ops. Preliminary aero-thermal and TPS sizing analyses will be presented, and the parachute system will be described in greater detail. In addition, the Dragonfly spacecraft will carry an En-gineering Science Investigation (ESI) package designed to obtain engineering data during EDL that will be used to validate the design methodology for future missions. An overview of the proposed ESI package will also be presented.

EDL↗

Drop Size Distribution Measurements in Outer Rainbands of Hurricane Dorian at the NASA Wallops Precipitation-Research Facility

Hurricane rainbands are very efficient rain producers, but details on drop size distributions are still lacking. This study focuses on the rainbands of hurricane Dorian as they traversed the densely instrumented NASA precipitation-research facility at Wallops Island, VA, over a period of 8 h. Drop size distribution (DSD) was measured using a high-resolution meteorological particle spectrometer (MPS) and 2D video disdrometer, both located inside a double-fence wind shield. The shape of the DSD was examined using double-moment normalization, and compared with similar shapes from semiarid and subtropical sites. Dorian rainbands had a superexponential shape at small normalized diameter values similar to those of the other sites. NASA’s S-band polarimetric radar performed range height-indicator (RHI) scans over the disdrometer site, showing some remarkable signatures in the melting layer (bright-band reflectivity peaks of 55 dBZ, a dip in the copolar correlation to 0.85 indicative of 12–15 mm wet snow, and a staggering reflectivity gradient above the 0 °C level of −10 dB/km, indicative of heavy aggregation). In the rain layer at heights < 2.5 km, polarimetric signatures indicated drop break-up as the dominant process, but drops as large as 5 mm were detected during the intense bright-band period.

Merhala Thurai↗

Monitoring of Dust Devil Tracks Around the InSight Landing Site, Mars, and Comparison With In Situ Atmospheric Data

The NASA InSight mission on Mars is a unique opportunity to study atmospheric processes both from orbit and in situ observations. We use post-landing high-resolution satellite images to monitor dust devil activity during the first 8 months of the mission. We perform mapping and semiautomatic detection of newly formed dust devil tracks and analyze their characteristics (sizes, azimuths, distances, and directions of motion).We find a large number of tracks appearing shortly after landing, followed by a significant decrease of activity during late winter, then a progressive increase during early spring. New tracks are characterized by dark linear, to slightly curvilinear, traces ranging from a few to more than 10 m wide. Tracks are oriented in the ambient wind direction, according to measurements made by InSight's meteorological sensors. The systematic analysis of dust devil tracks is useful to have a better understanding of atmospheric and aeolian activity around InSight.

C. Perrin↗

Nanoscale hydration in layered manganese oxides

Birnessite is a layered MnO2 mineral with a nanoscale interlayer region that accommodates layers of intercalated water. Variable distributions of Mn sites with oxidation states of II, III and IV are responsible for the high catalytic reactivity of birnessite in nature and as a valuable candidate for energy storage solutions. We here report water loading capabilities and the vibrational spectral signatures of two forms of birnessite of strongly contrasting particle size. Using X-ray diffraction we find that potassium-birnessite accommodates no more than one monolayer (1W) of water in its interlayer region. Molecular simulations show that this is an energetically favorable hydration state where interlayer potassium-water and direct water-birnessite interactions are greater than at other hydration levels. Simulations also suggest a stable 2W state but that is not achieved experimentally by contact with water vapor. Finally, this work provides a means to predict the distribution of adsorbed and interlayer water molecules using a recently developed composite model.

Cheng, Wei↗

Evaluating the Physisorption and Chemisorption of Iodine on Bismuth-Functionalized Carbon Foams

Bismuth-containing carbon materials have been shown to be highly promising sorbents for the capture of radioiodine. However, there is still a need to understand the effects of carbon and bismuth on the iodine sorption mechanism. In this study, we show the relationship between the physical and chemical sorption of iodine under different bismuth loading conditions. Here, highly porous and non-friable conductive carbon foams were prepared and bismuth was electrodeposited to provide strong iodine binding sites. For pure carbon foams, equal ratios of physisorbed and chemisorbed iodine-carbon phases were detected before desorption. As the concentration of bismuth increased, the chemisorption between bismuth and iodine dominated the total capture mechanism and physisorption was almost completely eliminated. Additionally, chemisorption of iodine depended upon the size and specific surface area of the bismuth particles present within the framework of the foam.

36 MATERIALS SCIENCE↗

Characterizing random-singlet state in two-dimensional frustrated quantum magnets and implications for the double perovskite Sr 2 CuTe 1 – x W x O 6

Motivated by the experimental observation of a nonmagnetic phase in compounds with frustration and disorder, we study the ground state of a spin-1/2 square-lattice Heisenberg model with randomly distributed nearest-neighbor J 1 and next-nearest-neighbor J 2 couplings. By using the density matrix renormalization group (DMRG) calculation on a cylinder system with a circumference of up to ten lattice sites, we identify a disordered phase between the Néel and stripe magnetic phase with growing J 2 /J 1 in the presence of strong bond randomness. The vanished spin-freezing parameter indicates the absence of spin-glass order. The large-scale DMRG results unveil the size-scaling behaviors of the spin-freezing parameter, the power-law decay of the average spin correlation, and the exponential decay of the typical spin correlation, which all agree with the corresponding behavior in the one-dimensional random-singlet (RS) state and characterize the RS nature of this disordered phase. The DMRG simulation also provides insights and opportunities for characterizing a class of nonmagnetic states in two-dimensional frustrated magnets with disorder. Here, we also compare with existing experiments and suggest more measurements for understanding the spin-liquid-like behaviors in the double perovskite Sr 2 CuTe 1–x W x O 6 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

PyChargeModel (Oriented Programming Based Electric Vehicle and Electric Vehicle Supply Equipment Charging Model in Python) [SWR-22-39]

The PyChargeModel creates two classes called "ElectricVehicles" and "evse_class", which can be used to create multiple instances of electric vehicles (EVs) and electric vehicle supply equipment (EVSE or charging ports) and simulate charging behavior. These objects can be instantiated with several properties such as battery chemistries, battery pack sizes, cell sizes, charging port power, dc or ac chargers etc. The objects can communicate with each other by calling different methods built within the classes. Through these methods, each EV object can be assigned to an EVSE, charged either using a default protocol or using setpoint values communicated from a site controller via the EVSE object.

Mishra, Partha↗

Density Functional Theory Solute-Dislocation Interactions

DFT-optimized structures of dislocations with a solute at different sites. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. There are also text files containing the DFT-computed interaction energies. The README file contains expressions that can be used to compute the interaction energies and chemical misfit energies using the volumetric size misfit for any solute species in Mg.

36 MATERIALS SCIENCE↗