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At least 505 records · Page 28

Habitat severity characteristics structure soil communities at regional and local spatial scales along the Antarctica Peninsula

Antarctic soils provide an excellent setting to test biogeographical patterns across spatial and environmental scales given their relatively simple communities and the dominance of physical factors that create strong environmental gradients. Additional urgency is given by the fact that their unique terrestrial communities are the subject of conservation efforts in a rapidly changing environment. We investigated relationships of soil community assembly and alpha and beta diversity with climatic and environmental parameters across regional and local scales in Maritime Antarctica. We sampled from a regional gradient of sites that differ in habitat severity, ranging from relatively favourable to harsher physicochemical conditions. At the regional scale, bacterial community characteristics and microarthropod abundance varied along this severity gradient, but most measures of fungal communities did not. Microarthropod and microbial communities differed in which soil and climate parameters were most influential, and the specific parameters that influenced each taxon differed across broad and fine spatial scales. This suggests that conservation efforts will need to focus on a large variety of habitat characteristics to successfully encompass diversity across taxa. Because beta diversity was the result of species turnover, conservation efforts also cannot focus on only the most biodiverse sites to effectively preserve all aspects of biodiversity.

54 ENVIRONMENTAL SCIENCES↗

Compositional Control on Shale Pore Structure Characteristics across a Maturation Gradient: Insights from the Devonian New Albany Shale and Marcellus Shale in the Eastern United States

The pore structure characteristics of shales are controlled by their mineralogical and organic matter (OM) composition. However, the contributions by different components in shales at varying thermal maturities remain poorly understood. In this study, Devonian New Albany Shale and Marcellus Shale samples spanning a thermal maturity from marginally mature (vitrinite reflectance R o 0.55%) to post-mature (R o 2.41 %) were selected to study the control of composition on the pore structure properties of shales at different stages of thermal maturation. Scanning electron microscope (SEM) imaging was used to examine pore types in shales, and low-pressure N 2 and CO 2 adsorption analyses were used to quantitatively characterize the mesopore and micropore characteristics of bulk shales and major components in shales. The results show that matrix-associated pores including interparticle pores between silt-sized mineral grains, phyllosilicate framework pores, and intraparticle pores within mineral grains exist in all samples but become less common with increasing maturity, which is likely caused by elevated compaction, cementation, and occlusion with bitumen. Secondary organic pores were not observed under SEM at marginal maturity but were detected in the condensate–wet gas and dry gas windows, with more organic pores in the dry gas window. At marginal maturity, OM has large amounts of mesopores and micropores as demonstrated by low-pressure N 2 and CO 2 adsorption analyses of OM isolated from shales, even though no OM-hosted pores were observed under SEM. With increasing thermal maturity, the mesopore and micropore specific surface area of OM increase and make greater contributions to the pore structure properties of bulk shales. The mesopore and micropore properties of shales are controlled by OM content and maturity as well as by clay mineral type and content, and they can be estimated from the contribution of each component at different stages of thermal maturation. In conclusion, accurate evaluation of the pore volume and SSA of shales will have important implications for assessing gas adsorption and transport in shales.

03 NATURAL GAS↗

Insights into the Solvation Characteristics of Zwitterionic Deep Eutectic Solvents Using Multiple Polarity Scales

Deep eutectic solvents (DESs) formed by mixing zwitterionic hydrogen bond acceptors (HBAs) with diol- and organic acid-based hydrogen bond donors (HBDs) are popular sustainable solvents. In addition to possessing an amphiphilic character, zwitterionic DESs offer unique solvation properties, unlike those composed of halide-containing HBAs. While all other popular classes of DESs have been investigated, no study has attempted to characterize the solvation characteristics of zwitterionic DESs. In this study, the solvation properties of betaine [Bet]-, sulfobetaine-, and l-carnitine [l-Car]-based DESs were thoroughly investigated for the first time using solvatochromic dye methods and inverse gas chromatography (IGC). Herein, the Nile red polarity scale revealed that DESs composed of organic acids were generally more polar than diol-based DESs. Kamlet–Taft solvent parameters revealed that glycerol-based DESs offered exceptionally high hydrogen bond donating ability compared to those composed of 1,4-butane diol and triethylene glycol. The Abraham solvation parameter model revealed hydrogen bond basicity to be the most dominant interaction, and it was generally higher for diol-based HBDs compared to organic acid-based HBDs. Additionally, sulfobetaine HBAs possessing longer alkyl chains generally offered higher dispersive-type interactions and hydrogen bond basicity compared to [Bet] and [l-Car] salts. This is the first study to combine and compare results from solvatochromic dye methods and IGC in an attempt to comprehensively explain and predict the solvation characteristics of zwitterionic DESs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dual Emission Bands of a 2D Perovskite Single Crystal with Charge Transfer State Characteristics

Several hybrid halide 2D-perovskite species emit light with an emergent and controversial broadband emission Stokes-shifted down from the narrow band emission. This work uncovers the sub- and above-bandgap emission and absorption characteristics of PEA 2 PbI 4 prepared with gap states introduced during single crystal growth. Here, gap states led to coexistent intrinsic and heterostructured electronic frameworks that are selectively accessible with ultraviolet (UV) and infrared (IR) light, respectively, resulting in the phenomenon of photoluminescence (PL) switching from narrowband green to broadband red. Electron-energy dependent cathodoluminescence shows a relative increase in the broadband red PL intensity as the electron penetration depth increases from 30 nm to 2 μm, confirming the heterostructured framework is formed in the bulk of the crystal. Excitation–emission power slope of 2.5 and up-conversion pump transient absorption (TA) spectra suggest that the IR up-conversion excitation with red photoluminescence, peaked at 655 nm, is a multiphoton process occurring in the heterostructured framework through a nonlinear optical response. The energetic pathways toward the dual emission bands are revealed by pump–probe transient absorption spectroscopy, showing energetically broad gap states with high sensitivity to an IR pump are upconverted and subsequently quickly relax from high to low energy levels within 4 ps. Furthermore, the up-conversion red PL demonstrates a linear polarization with magnetic field effects, thus affirming that the band-like heterostructured framework is crystallographically aligned with characteristics of spatially extended charge-transfer states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Observed Warm-Season Characteristics of MCS and Non-MCS Rainfall and Their Recent Changes in the Central United States

Warm-season rainfall characteristics in the central US are investigated as they play important roles in ecohydrology and agricultural productivity. Using rainfall observations, we compare the April-August mesoscale convective systems (MCS) and non-MCS rainfall characteristics and examine their linear trends between 1997 and 2018. We found that MCS rainfall is ~7 times more intense than non-MCS rainfall but it occurs less frequently in time and space. MCS rainfall peaks in nocturnal hours, with synchronized timing of rainfall intensity, area and occurrence, while non-MCS rainfall peaks in late-afternoon hours, mostly attributed to the timing of peak rainfall area. MCS rainfall has increased in the last 22 years due to an increase in frequency and a longer duration per MCS. In contrast, non-MCS rainfall has decreased mainly due to a reduction in rainfall area, leading to fewer total wet days and increased dry intervals between storms

Hu, Huancui↗

An Analysis of Abandoned Oil Well Characteristics Affecting Methane Emissions Estimates in the Cherokee Platform in Eastern Oklahoma

Anthropogenic activities increase methane emissions, contributing to greenhouse gas levels and adversely affecting the environment. Abandoned oil and gas wells potentially leak methane, but data are limited. We analyze methane emissions from abandoned wells (n = 179) in the Cherokee Platform in Oklahoma, a previously unaccounted basin, and compare emissions factors (EFs) to those in the Greenhouse Gas Inventory. We compare the contribution of various characteristics to the propensity for leakage. Higher emissions were observed with shallower wells and with unplugged wells. Plugged wells (n = 20) had an average EF of 96 ± 429 g/day and 65 ± 294 g/day for unplugged wells (n = 159). The majority of wells had no detectable leak. We calculated ethane EFs based on geochemical analysis of gas samples, finding higher EFs for unplugged (1.2 ± 5.5 g/day) versus plugged (0.9 ± 4.6 g/day) wells. The data indicate that in addition to the location of abandoned wells, physical characteristics are necessary to consider in estimating methane emissions.

58 GEOSCIENCES↗

Transition of Large-Scale Environmental Conditions and Characteristics of Four Rainfall Types Observed by S-PolKa During the MJO-1 Active Phase of DYNAMO/CINDY/AMIE

Analyses of National Center for Atmospheric Research (NCAR) S-PolKa dual-polarization radar data and ERA5 reanalysis fields indicate gradual changes in convection characteristics and large-scale environmental conditions during a central Indian Ocean Madden-Julian Oscillation (MJO) event observed by the DYNAMO/CINDY/AMIE field campaigns in late October 2011 (MJO-1). Examination of four rainfall types (isolated convective cores, convective, mixed, and stratiform) reveals a transition of convection characteristics (i.e., areal coverage and depth) between distinct 5-day environmental periods at the beginning and end of this ~2-week MJO active phase. A shift toward less frequent rainfall covering less of the radar domain for all four rainfall types occurs when large-scale lower-tropospheric dry air advects into the region with the westerly wind burst (WWB). Drier and warmer lower-free-tropospheric conditions associated with the WWB contribute to increased large-scale surface-based convective inhibition (CIN), surface-based convective available potential energy (CAPE), and cloud base heights. A thermodynamic budget analysis indicates reduced surface heat fluxes contribute to the increased surface-based CAPE. Greater CAPE at the end of MJO-1 coincides with deeper 50-dBZ convective echoes, while decreased 10-dBZ depth for all rainfall types corresponds in time with WWB-related dry-air advection. Increased (decreased) reflectivity values in the lower-level vertical reflectivity distribution of convective (stratiform) precipitation indicate increased (decreased) convective (stratiform) intensities when the WWB is present. The opposite depth changes for convective echoes and opposite shifts in convective and stratiform precipitation intensities underscore how the WWB can have differing impacts at different reflectivity thresholds and stages of the deep convection lifecycle.

54 ENVIRONMENTAL SCIENCES↗

Role of Tropical Cyclones in Determining ENSO Characteristics

El Niño-Southern Oscillation (ENSO) can effectively modulate global tropical cyclone (TC) activity, but the role TCs may play in determining ENSO characteristics remains unclear. Here we investigate the impact of TC winds on ENSO using a suite of Earth system model experiments where we insert TC winds, extracted from a TC-permitting high-resolution simulation, into a low-resolution model configuration with nearly no intrinsic TCs. The presence of TC winds in the model increases ENSO power and shifts ENSO frequency closer to what we observe. TCs lead to an increase of strong to extreme El Niño events seen in observations and not simulated in the low-resolution model without intrinsic TCs, mainly through enhanced zonal advection feedback and thermocline feedback. Our results indicate that TCs play a fundamental role in producing the ENSO characteristics we experience today in the climate system and point to a two-way climatological interaction between TCs and ENSO.

54 ENVIRONMENTAL SCIENCES↗

A Climatology and Life‐Cycle Characteristics of Atmospheric Fronts and Their Associated Precipitation

Abstract Atmospheric fronts are one of the main sources of mid‐latitude variability. We employ a novel method for identifying and tracking fronts and frontal precipitation. Thermal and dynamical variables are used to identify fronts as areal objects in space, which are tracked in time using the open‐source TempestExtremes software package. Precipitation objects are co‐located to identify frontal precipitation. The method is subjected to validation and sensitivity tests using manually curated data from the National Weather Service. Climatologies of fronts and frontal precipitation are computed from reanalysis and observations; fronts are present upwards of 14% of the time in the storm tracks, and represent the majority (up to 90%) of total and extreme precipitation. Novel aspects of the method are showcased through the lifetime characteristics of fronts across North America. Three sets of warm and cold fronts were discovered, and their duration, distance‐traveled, and translation velocity are examined. Plain Language Summary Mid‐latitude low‐pressure systems and weather fronts are important for our day‐to‐day experience of weather events, particularly in the mid‐latitudes. This work makes use of standardized atmospheric data and creates a method of automatically tracking these important atmospheric features and their precipitation to quantify their relative role in global precipitation. Weather fronts are persistent in the mid‐latitudes and are associated with the majority of precipitation–particularly the most intense precipitation. Trajectories of fronts over North America are categorized to create a set of archetypal fronts that occur in that region. The differences between these types of fronts are characterized. Key Points An automated, efficient, and skillful frontal detection algorithm is developed and validated Fronts contribute a larger fraction of extreme precipitation than all precipitation in mid‐latitude storm tracks Fronts across North America have substantial variation in characteristics depending on their origin location

extratropical cyclone↗

Soil pore characteristics and the fate of new switchgrass-derived carbon in switchgrass and prairie bioenergy cropping systems

Abstract Monoculture switchgrass and restored prairie are promising perennial feedstock sources for bioenergy production on the lands unsuitable for conventional agriculture. Such lands often display contrasting topography that influences soil characteristics and interactions between plant growth and soil C gains. This study aimed at elucidating the influences of topography and plant systems on the fate of C originated from switchgrass plants and on its relationships with soil pore characteristics. For that, switchgrass plants were grown in intact soil cores collected from two contrasting topographies, namely steep slopes and topographical depressions, in the fields in multi-year monoculture switchgrass and restored prairie vegetation. The 13 C pulse labeling allowed tracing the C of switchgrass origin, which X-ray computed micro-tomography enabled in-detail characterization of soil pore structure. In eroded slopes, the differences between the monoculture switchgrass and prairie in terms of total and microbial biomass C were greater than those in topographical depressions. While new switchgrass increased the CO 2 emission in depressions, it did not significantly affect the CO 2 emission in slopes. Pores of 18–90 µm Ø facilitated the accumulation of new C in soil, while > 150 µm Ø pores enhanced the mineralization of the new C. These findings suggest that polyculture prairie located in slopes can be particularly beneficial in facilitating soil C accrual and reduce C losses as CO 2 .

09 BIOMASS FUELS↗

Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): relationships among molecular orbital symmetry, lattice symmetry, and electronic-structure characteristics

Two-dimensional covalent organic frameworks (2D-COFs), also referred to as 2D polymer networks, display unusual electronic-structure characteristics, which can significantly enrich and broaden the fields of electronics and spintronics. In this Focus article, the objective of this report is to lay the groundwork for the conceptual description of the fundamental relationships among the COF electronic structures, the symmetries of their 2D lattices, and the frontier molecular orbitals (MOs) of their core and linker components. We focus on monolayers of hexagonal COFs and use tight-binding model analyses to highlight the critical role of the frontier-MO symmetry, in addition to lattice symmetry, in determining the nature of the electronic bands near the Fermi level. We rationalize the intriguing feature that, when the core unit has degenerate highest occupied MOs [or lowest unoccupied MOs], the COF highest valence band [or lowest conduction band] is flat but degenerate with a dispersive band at a high-symmetry point of the Brillouin zone; the consequences of having such band characteristics are briefly described. Multi-layer and bulk 2D COFs are found to maintain the salient features of the monolayer electronic structures albeit with a reduced bandgap due to the interlayer coupling. This Focus article is thus meant to provide an effective framework for the engineering of flat and Dirac bands in 2D polymer networks.

36 MATERIALS SCIENCE↗

Revealing the structure and electronic characteristics of Te-rich threshold switching materials for high-density integration

Ovonic threshold switching (OTS) selectors play an important role in the integration of advanced three-dimensional memory. Selectors based on tellurium (Te)-containing materials exhibit significant promise due to their low threshold voltages and superior consistency. Here we have theoretically studied the structure and electronic properties of a typical OTS material, amorphous GeTe 6 , to explore the switching mechanisms using ab initio molecular dynamics simulations. The results indicate that Ge atoms tend to bond with Te atoms, forming stable chemical bonds. The Te-centered clusters are predominantly in the form of distorted octahedrons, while the Ge-centered clusters are in the form of both octahedrons and tetrahedrons. Notably, the proportion of tetrahedrons within the 4-coordinated Ge-centered clusters reaches an impressive 66.9%. These tetrahedrons are randomly dispersed throughout the simulated cell, leading to a stable amorphous configuration. The mid-gap state observed in the mobility bandgap originates from the atomic chain composed of both over-coordinated Ge and Te atoms. It is the inherent stability of the chemical environment within amorphous GeTe 6 that enables it to maintain its amorphous phase under a repeated threshold voltage, a characteristic that distinguishes it from non-OTS materials, such as amorphous tellurium. Furthermore, our findings provide an in-depth understanding of the structure and electronic characteristics of amorphous GeTe 6 , which can promote the design and application of the Te-rich threshold switching materials.

36 MATERIALS SCIENCE↗

Exploring the Effects of Population and Employment Characteristics on Truck Flows: An Analysis of NextGen NHTS Origin-Destination Data

Truck transportation remains the dominant mode of US freight transportation because of its advantages, such as the flexibility of accessing pickup and drop-off points and faster delivery. Because of the massive freight volume transported by trucks, understanding the effects of population and employment characteristics on truck flows is critical for better transportation planning and investment decisions. The US Federal Highway Administration published a truck travel origin-destination data set as part of the Next Generation National Household Travel Survey program. This data set contains the total number of truck trips in 2020 within and between 583 predefined zones encompassing metropolitan and nonmetropolitan statistical areas within each state and Washington, DC. In this study, origin-destination-level truck trip flow data was augmented to include zone-level population and employment characteristics from the US Census Bureau. Census population and County Business Patterns data were included. The final data set was used to train a machine learning algorithm-based model, Extreme Gradient Boosting (XGBoost), where the target variable is the number of total truck trips. Shapley Additive ExPlanation (SHAP) was adopted to explain the model results. Results showed that the distance between the zones was the most important variable and had a nonlinear relationship with truck flows.

Uddin, Majbah↗

Degradation of REBCO coated conductors due to a combination of epoxy impregnation, thermal cycles, and quench: Characteristics and a method of alleviation

REBa2Cu3Ox (REBCO) coated conductors are an enabling technology for >1 GHz nuclear magnetic resonance spectrometers that need >23.5 T solenoids, compact high-field fusion reactors beyond the International Thermonuclear Experimental Reactor, and 20 T class accelerator magnets. An in-depth understanding of stress and strain management is critically needed for these applications. Here, we report experimental data and an analysis of damages of REBCO-coated conductors in several scenarios relevant for their applications in high-field magnets and unique to their multi-layer thin film structure. The examined scenarios include failure induced by quench, failure induced by epoxy impregnation, and failure induced by a combination of epoxy impregnation and quench. The root cause is film blistering and peeling induced by thermally interfacial stresses characteristic of multilayered heteroepitaxial thin film structures on thick substrates utilized. The quantitative stress analysis is introduced using simple and easy to use formulas and clearly indicates how materials and structural characteristics affect the magnitude and the distribution of stresses and deflections. Finally, a simple method is introduced for removing degradation of REBCO coated conductors due to epoxy impregnation. Our data and analysis help our understanding of the practical limit of REBCO-coated conductors and can be utilized as a guidance for the physical design of REBCO coated conductors and high-current cables assembled from them and for minimizing damages.

Yin, Shijian (ORCID:0000000224312274)↗

Transition characteristics and electron kinetics in microhollow cathode discharges

We demonstrate the transition characteristics and electron kinetics of microdischarges in a microgap with a cathode having microstructures using two-dimensional particle-in-cell/Monte Carlo collision (2d3v) simulations. It is found that the microdischarge is inside the hollow cavity at lower pressures, forming microhollow cathode discharges (MHCDs), while the dominant discharge moves outside the cavity at higher pressures, locating above the cathode rectangular protrusion tip. The spatial distributions of the microdischarge parameters (e.g., electric potential and electron density) are presented by capturing the transition characteristics. The electron kinetics of the microdischarges are examined based on the moment analysis of the electron Boltzmann equation. The collisional and non-collisional components of the electron power absorption are decomposed, which were seldomly investigated for microdischarges previously. The results provide fundamental insights into MHCD formation with a structured electrode at varying pressure conditions, which could be beneficial for the design and fabrication of microplasma devices in practical applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High frequency impedance characteristics of a tunable microplasma device

Computational studies on high frequency impedance characteristics of a microplasma device are reported. While microplasma is ignited using a primary excitation signal, frequency response of plasma impedance is determined by a secondary high frequency probe signal with significantly lower voltage amplitude such that it does not influence the plasma parameters. Here, the computational model utilizing the drift–diffusion approximation is first validated by comparing with experimental data for microplasmas ignited at pressures ranging from 1 to 5 Torr. In spite of quantitative discrepancies, good overall agreement is obtained between the measured frequency response of impedance of the discharge. Comparisons are also presented for various plasma parameters including mean electron number density, sheath thickness, mean electron temperature, and collision frequency that were inferred from the impedance measurements. The computational model is then used to perform simulations of near-atmospheric pressure microplasmas with the probe signal frequency ranging from 3 to 20 GHz. The simulations demonstrate the presence of a resonance frequency at which the impedance vanishes. More importantly, it is shown that this resonant frequency can be tuned effectively by suitably modifying the operating parameters (gap size, pressure, and excitation voltage). The simulated impedance characteristics are used to determine the effective plasma inductance and capacitance using a non-linear fitting approach, thereby showing the dependence of these electrical parameters on the plasma operating conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Turbulent flow characteristics in an 84-pin rod bundle for typical and damaged spacer grids

Hexagonal rod bundles arranged in a tightly packed triangular lattice are extensively used for heat transfer and energy generation applications. Staggered spacer grids are used to maintain the structural integrity of gas-cooled fast reactor (GFR) fuel assemblies, while inducing localized turbulence in flow. Damage to these spacer grids results in a disruption of flow fields within these hexagonal fuel bundles. Experimental flow visualizations are critical to identify the differences in local flow properties that the structural damage may cause. This experimental research investigates the flow-field characteristics at a near-wall and center plane in a prototypical 84-pin GFR fuel assembly. Newly installed typical spacers and spacers subject to naturally occurring damage due to material degradation over prolonged experimentation were investigated. Velocity fields were acquired by utilizing the matched-index-of-refraction method to obtain time-resolved particle image velocimetry measurements for a Reynolds number of 12 000. Reynolds decomposition statistical results divulged differences in the time-averaged velocity, velocity fluctuations, flow anisotropy, and Reynolds stress distributions. Galilean decomposition demarcated the influence of spacer grid damage on the velocity fields. To extract turbulent structures and elucidate mechanisms of flow instabilities, proper orthogonal decomposition analysis was employed. Reduced order flow reconstructions enabled the application of vortex identification algorithms to determine the spatial and statistical characteristics of vortices generated. This research work provides unique experimental data on the spacer grid condition-dependent flow. The results offer a deeper understanding of fluid dynamics behavior to support GFR rod bundle design efforts and computational fluid dynamics model validation.

36 MATERIALS SCIENCE↗

Computational studies of structural, energetic, and electronic properties of pure Pt and Mo and mixed Pt/Mo clusters: Comparative analysis of characteristics and trends

The added technological potential of bimetallic clusters and nanoparticles, as compared to their pure (i.e., one-component) counterparts, stems from the ability to further fine-tune their properties and, consequently, functionalities through a simultaneous use of the “knobs” of size and composition. The practical realization of this potential can be greatly advanced by the knowledge of the correlations and relationships between the various characteristics of bimetallic nanosystems on the one hand and those of their pure counterparts as well as pure constituent components on the other hand. Here, in this study, we present results of a density functional theory based study of pure Pt n and Mo n clusters aimed at revisiting and exploring further their structural, electronic, and energetic properties. These are then used as a basis for analysis and characterization of the results of calculations on two-component Pt n-m Mo m clusters. The analysis also includes establishing relationships between the properties of the Pt n-m Mo m clusters and those of their Pt n-m and Mo m components. One of the particularly intriguing findings suggested by the calculated data is a linear dependence of the average binding energy per atom in sets of Pt n-m Mo m clusters that have the same fixed number m of Mo atoms and different number n-m of Pt atoms on the fractional content (n-m)/n of Pt atoms. We derive an analytical model that establishes the fundamental basis for this linearity and expresses its parameters—the m-dependent slope and intercept—in terms of characteristic properties of the constituent components, such as the average binding energy per atom of Mo m and the average per-atom adsorption energy of the Pt atoms on Mo m . The conditions of validity and degree of robustness of this model and of the linear relationship predicted by it are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗