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At least 595 records · Page 33

Universal corner symmetry and the orbit method for gravity

A universal symmetry algebra organizing the gravitational phase space has been recently found. It corresponds to the subset of diffeomorphisms that become physical at corners – codimension-2 surfaces supporting Noether charges. It applies to both finite distance and asymptotic corners. In this paper, we study this algebra and its representations, via the coadjoint orbit method. We show that generic orbits of the universal algebra split into sub-orbits spanned by finite distance and asymptotic corner symmetries, such that the full universal symmetry algebra gives rise to a unified treatment of corners in a manifold. We then identify the geometric structure that captures these algebraic properties on corners, which is the Atiyah Lie algebroid associated to a principal GL(2,R) $\ltimes$ R 2 -bundle. This structure is suggestive of the existence of a novel quantum gravitational theory which would unitarily glue such geometric structures, with spacetime geometries appearing as semi-classical configurations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Calculation of K-shell fluorescence yields for low-Z elements

The analytical methods based on X-ray fluorescence are advantageous for practical applications in a variety of fields including atomic physics, X-ray fluorescence surface chemical analysis and medical research and so the accurate fluorescence yields (ω{sub K}) are required for these applications. In this contribution we report a new parameters for calculation of K-shell fluorescence yields (ω{sub K}) of elements in the range of 11≤Z≤30. The experimental data are interpolated by using the famous analytical function (ω{sub k}/(1−ω{sub k})){sup 1/q} (were q=3, 3.5 and 4) vs Z to deduce the empirical K-shell fluorescence yields. A comparison is made between the results of the procedures followed here and those theoretical and other semi-empirical fluorescence yield values. Reasonable agreement was typically obtained between our result and other works.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Plethora of transitions during breakup of liquid filaments

Significance Fluid flows, governed by nonlinear equations, permit formation of singularities. Often, singularities are artifacts of neglecting physical effects. However, free-surface flows exhibit observable singularities including filament pinch-off. As filaments thin, slightly (highly) viscous filaments are expected from theory to transition from an inertial (viscous) regime where viscosity (density) is negligible to an inertial–viscous regime where viscous and inertial effects are important. Previous works show this transition either does not occur or occurs for filament radii well below theoretical predictions. We demonstrate that thinning filaments unexpectedly pass through a number of intermediate transient regimes, thereby delaying onset of the final regime. The findings raise the question if similar dynamical transitions arise in problems that are not necessarily hydrodynamic in nature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Self-organisation Processes In The Carbon ARC For Nanosynthis

The atmospheric pressure carbon arc in inert gases such as helium is an important method for the production of nanomaterials. It has recently been shown that the formation of the carbon deposit on the cathode from gaseous carbon plays a crucial role in the operation of the arc, reaching the high temperatures necessary for thermionic emission to take place even with low melting point cathodes. Based on observed ablation and deposition rates, we explore the implications of deposit formation on the energy balance at the cathode surface, and show how the operation of the arc is self-organised process. Our results suggest that the can arc operate in two di erent regimes, one of which has an important contribution from latent heat to the cathode energy balance. This regime is characterised by the enhanced ablation rate, which may be favourable for high yield synthesis of nanomaterials. The second regime has a small and approximately constant ablation rate with a negligible contribution from latent heat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Electric Switching of Fluorescence Decay in Gold–Silica–Dye Nematic Nanocolloids Mediated by Surface Plasmons

Tunable composite materials with interesting physical behavior can be designed through integrating unique optical properties of solid nanostructures with facile responses of soft matter to weak external stimuli, but this approach remains challenged by their poorly controlled coassembly at the mesoscale. Using scalable wet chemical synthesis procedures, we fabricated anisotropic gold–silica-dye colloidal nanostructures and then organized them into the device-scale (demonstrated for square-inch cells) electrically tunable composites by simultaneously invoking molecular and colloidal self-assembly. We show that the ensuing ordered colloidal dispersions of shape-anisotropic nanostructures exhibit tunable fluorescence decay rates and intensity. Here in this paper, we characterize how these properties depend on low-voltage fields and polarization of both the excitation and emission light, demonstrating a great potential for the practical realization of an interesting breed of nanostructured composite materials.

42 ENGINEERING↗

Waste Inventory for Near Surface Repository (NSR) - 13482

The main characteristics, physical, chemical as well as radiological of the waste intended to be disposed of in the planned NSR are described. This description is mainly based on the waste inventory investigations performed by the Ignalina Nuclear Power Plant (INPP). The four different waste streams to be disposed of in the NSR are described and investigated. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Systematic Underestimation of Canopy Conductance Sensitivity to Drought by Earth System Models

The response of vegetation canopy conductance (g c ) to changes in moisture availability ($γ^{m}_{gc}$) is a major source of uncertainty in climate projections. While vegetation typically reduces stomatal conductance during drought, accurately modeling how and to what degree stomata respond to changes in moisture availability at global scales is particularly challenging, because no global scale g c observations exist. Here, we leverage a collection of satellite, reanalysis and station-based near-surface air and surface temperature estimates, which are physically and statistically linked to $γ^{m}_{gc}$ due to the local cooling effect of g c through transpiration, to develop a novel emergent constraint of $γ^{m}_{gc}$ in an ensemble of Earth System Models (ESMs). We find that ESMs systematically underestimate $γ^{m}_{gc}$ by ~33%, particularly in grasslands, croplands, and savannas in semi-arid and bordering regions of the Central United States, Central Europe, Southeastern South America, Southern Africa, Eastern Australia, and parts of East Asia. We show that this underestimation occurs because ESMs inadequately reduce g c when soil moisture decreases. As g c controls carbon, water and energy fluxes, the misrepresentation of modeled $γ^{m}_{gc}$ contributes to biases in ESM projections of gross primary production, transpiration, and temperature during droughts. Our results suggest that the severity and duration of droughts may be misrepresented in ESMs due to the impact of sustained g c on both soil moisture dynamics and the biosphere-atmosphere feedbacks that affect local temperatures and regional weather patterns.

54 ENVIRONMENTAL SCIENCES↗

Surface Engineering of Nanostructured Energy Materials

All nanostructures share a common feature of large surface-to-volume ratio, which makes surface engineering a vital tool for exploring their new and important applications in many different areas. Particularly, inorganic nanostructures represent a class of intriguing catalysts that can find wide uses in energy conversion, energy storage, and environmental remediation. In this work, a number of surface engineering strategies, including morphology control, defect incorporation, and interface manipulation for tailoring the shape, facet, defect, interfacial property, and composition of nanostructures, aiming at controlling the chemical and physical properties such as energy bandgap and surface energy toward great enhancement in catalytic performance, are discussed.

36 MATERIALS SCIENCE↗

Elastomeric nematic colloids, colloidal crystals and microstructures with complex topology

Control of physical behaviors of nematic colloids and colloidal crystals has been demonstrated by tuning particle shape, topology, chirality and surface charging. However, the capability of altering physical behaviors of such soft matter systems by changing particle shape and the ensuing responses to external stimuli has remained elusive. We fabricated genus-one nematic elastomeric colloidal ring-shaped particles and various microstructures using two-photon photopolymerization. Nematic ordering within both the nano-printed particle and the surrounding medium leads to anisotropic responses and actuation when heated. With the thermal control, elastomeric microstructures are capable of changing from genus-one to genus-zero surface topology. Using these particles as building blocks, we investigated elastomeric colloidal crystals immersed within a liquid crystal fluid, which exhibit crystallographic symmetry transformations. Furthermore, our findings may lead to colloidal crystals responsive to a large variety of external stimuli, including electric fields and light. Pre-designed response of elastomeric nematic colloids, including changes of colloidal surface topology and lattice symmetry, are of interest for both fundamental research and applications.

36 MATERIALS SCIENCE↗

Relating flow resistance to equivalent roughness

Describing flow resistance using the physical properties of an underlying surface is a recalcitrant problem in overland flow models. If discharge measurements are available, an equivalent roughness (e.g., Manning’s n) can be calibrated to represent the effects of surface properties within the domain with a single numerical value. Alternatively, the flow resistance can be estimated from discharge and velocity measured at a point, typically a runoff plot outlet. However, such experimental estimates are often inconsistent with the equivalent roughness determined from calibration to discharge, even if both derive from the same dataset. For example, if Manning’s equation is used to parameterize flow resistance, the Manning’s n obtained by calibrating a model to discharge differs from the value of n calculated from measured flow and velocity at the hillslope outlet. Here, this discrepancy is resolved by deriving a correction factor relating experimentally-determined flow resistance to the equivalent roughness. The derived correction factor is tested for four commonly-used resistance formulations using 129 rainfall simulator experiments. The correction factor is necessary to reproduce measured velocities, and yields minor improvements in discharge prediction. Plain Language Summary: Accurate runoff prediction is needed for land and water management in dryland regions, where sporadic and limited rainfall necessitate efficient water use and drought mitigation strategies. The skill of runoff models is known to be hindered by out ability to estimate flow resistance, which is the quantity that describes how energy is lost from flowing water to the underlying surface. Typically, models represent flow resistance with an equivalent roughness, e.g., Manning’s n, that is adjusted until the model can reproduce available discharge observations at watershed scale. However, the flow resistance measured in plot-scale experiments (1–10 m) often exceeds equivalent roughness coefficients by a factor of 10. This means that the direct use of plot-scale experimental data to parameterize runoff models could cause errors in discharge and runoff velocity predictions. Here, we resolve these differences by deriving an analytic correction factor that relates flow resistance to the equivalent roughness required for models to reproduce experimental velocity and discharge data. This correction factor is tested using rainfall simulator data from 129 experiments performed in the US Southwest covering a wide range of precipitation intensities, soil textures and vegetation types. Use of the correction factor substantially improves model prediction of flow velocity, which is needed for reproducing the timing of flood events and the estimation of erosion.

54 ENVIRONMENTAL SCIENCES↗

Wire-coil insert optimization for high-heat-load/flux synchrotron components

Many synchrotron components require high levels of internal-flow, forced-convection heat transfer to minimize surface temperatures, thermal gradients, and thermally induced stress on high-power beam-interacting surfaces. Wire-coil inserts, physically similar to a common spring, are mechanically fitted inside of component cooling passages to optimize heat transfer performance. They are routinely used in Advanced Photon Source (APS) front end and beamline high-heat-load/flux components to significantly enhance convection heat transfer-up to 400% compared to plain open passages. This has the additional benefit of greatly reducing coolant flow requirements for these components. Using several cooling passage sizes, five different wire sizes, and a range of pitch values, an experimental investigation conducted at the APS has determined the average heat transfer coefficient and resulting pressure loss as a function of water flow rate for 65 different wire-coil inserts. Data from this study have been non-dimensionalized and generalized to yield relationships that can be used to determine the heat transfer performance and resulting pressure loss for any given wire-coil insert that may be used at the APS. Through data reduction, the wire-coil insert characteristic dimensions have also been optimized to yield the highest heat transfer enhancement while minimizing the coolant flow requirements. These generalized expressions for wirecoil inserts will be presented, and they can be used by scientists and engineers during the component design process to evaluate achievable heat transfer performance and associated pressure loss, aiding in the establishment of optimized operating parameters and cooling passage flow distribution schemes.

43 PARTICLE ACCELERATORS↗

Morphology control of ZnO nanostructures for high efficient dye-sensitized solar cells

Dye-sensitized solar cells (DSSCs) were fabricated based on different ZnO nanostructures with controllable morphologies synthesized via capping agent-assisted hydrothermal method. The capping agent hindered the growth along (001) direction, so the morphology evolved from rods to nanosheets with increasing the amounts of capping agents. The kinetics of the photoelectrochemical properties in DSSCs were also evaluated via electrochemical impedance spectroscopy with focusing on exploring the electron lifetime, electron diffusion coefficient and effective diffusion length of the cells in a quantitative manner based on an equivalent circuit model. The physical properties, such as specific surface area, photoluminescence and ultraviolet–vis diffuse reflectance spectra (DRS), were also extensively characterized in detail. DSSCs fabricated with ZnO nanosheets/rod hierarchical structures as photoanodes showed significantly improved photovoltaic performance with open-circuit voltage increasing from 0.45 V to 0.73 V, as well as the overall conversion efficiency 5.69 times better than that of ZnO rod. It was attributed to higher surface area (21.96 m{sup 2}·g{sup −1}) and more efficient light absorption, as well as more efficient electron transfer process. - Highlights: • Controlled morphologies from rods to nanosheets were manipulated by hydrothermal method. • Different ZnO morphologies based DSSCs were investigated by IV and EIS with forward biases. • DSSCs based on nano hierarchical structures yield 5.67 times higher of power conversion efficiency than that of rods.

36 MATERIALS SCIENCE↗

Nanoscale calcium aluminate coated graphite for improved performance of alumina based monolithic refractory composite

Graphical abstract: - Highlights: • Sol–gel Ca-doped γ-Al{sub 2}O{sub 3} accomplished graphite retention. • Nanocoating considerably improved matrix-aggregate bonding. • Less porous simulated matrix upgraded slag resistance. - Abstract: The synthesis and properties of high alumina castable containing nanostructured calcium aluminate coated graphite were studied in terms of slag resistance and overall physical characteristics. Raman spectroscopy, BET surface area and field emission scanning electron microscopy (FESEM) were performed to exclusively understand the coating characteristics and its compatibility in refractory composite. The coating not only secured graphite in castable for prolonged period but also noticeably improved matrix to aggregate contact. The microstructural aspects of castables were investigated, with special emphasis on a representative matrix prepared and infiltrated with slag at elevated temperature. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) of fired composite containing surface-treated graphite was quite prospective. It circumvented the problems of incorporating as-received graphite in castables and should be in the attention of refractory researchers and producers.

36 MATERIALS SCIENCE↗

Alteration in micro-mechanical characteristics of wellbore cement fracture surfaces due to fluid exposure

The stiffness of wellbore cement fracture surfaces was measured after exposing to the advective flow of nitrogen, silicone oil, and medium sweet dead crude oil for different exposure periods. The test specimens were extracted from fractured cement cylinders, where the cement fracture surfaces were exposed to the different fluids up to 15 weeks. A nanoindenter with a Berkovich indenter tip was used to measure load-indentation depth data, which was used to extract the elastic modulus (E) and nano-hardness (H) of the cement fracture surfaces. A reduction in the elastic modulus compared with an unexposed specimen were observed in all the specimens. Both elastic modulus and nano-hardness for the specimens exposed to silicone oil were lower than specimens exposed to nitrogen gas and varied with the period of exposure. The elastic modulus and nano-hardness of the specimens exposed to crude oil were the lowest with a significant decrement with the exposure period. The frequency distribution of the nanoindentation measurements shows that the volume-fraction ratio of the two types of cement hydrated nanocomposites for both the unexposed and test specimens is about 70:30%. Phase transformation beneath the indenter is observed for all of the specimens, with more obvious plastic deformation in specimens exposed to crude oil. Analytical measurements (SEM, EDS, FT-IR, and XRD) on exposed cement fracture surfaces reveal different levels of physical and chemical alteration that are consistent with the reduction in stiffness measured by nanoindentation. Furthermore, the study suggests that cement stiffness will decrease due to crude oil exposure, and the fracture will be sensitive to stress and pore pressure with time.

42 ENGINEERING↗

Concept of Lattice Mismatch and Emergence of Surface States in Two-dimensional Hybrid Perovskite Quantum Wells

We present that surface states are ubiquitous to semiconductors and significantly impact the physical properties and, consequently, the performance of optoelectronic devices. Moreover, surface effects are strongly amplified in lower dimensional systems such as quantum wells and nanostructures. Layered halide perovskites (LHPs) are two-dimensional solution-processed natural quantum wells where optoelectronic properties can be tuned by varying the perovskite layer thickness n, i.e., the number of octahedra spanning the layer. They are efficient semiconductors with technologically relevant stability. Here, a generic elastic model and electronic structure modeling are applied to LHPs heterostructures with various layer thickness. We show that the relaxation of the interface strain is triggered by perovskite layers above a critical thickness. This leads to the release of the mechanical energy arising from the lattice mismatch, which nucleates the surface reorganization and may potentially induce the formation of previously observed lower energy edge states. Finally, these states, which are absent in three-dimensional perovskites are anticipated to play a crucial role in the design of LHPs for optoelectronic systems.

36 MATERIALS SCIENCE↗

Molecular Properties That Define the Activities of Antibiotics in Escherichia coli and Pseudomonas aeruginosa

The permeability barrier of Gram-negative cell envelopes is the major obstacle in the discovery and development of new antibiotics. In Gram-negative bacteria, these difficulties are exacerbated by the synergistic interaction between two biochemically distinct phenomena, the low permeability of the outer membrane (OM) and active multidrug efflux. In this study, we used Pseudomonas aeruginosa and Escherichia coli strains with controllable permeability barriers, achieved through hyperporination of the OMs and varied efflux capacities, to evaluate the contributions of each of the barriers to protection from antibacterials. We analyzed antibacterial activities of β-lactams and fluoroquinolones, antibiotics that are optimized for targets in the periplasm and the cytoplasm, respectively, and performed a machine learning-based analysis to identify physicochemical descriptors that best classify their relative potencies. Our results show that the molecular properties selected by active efflux and the OM barriers are different for the two species. Antibiotic activity in P. aeruginosa was better classified by electrostatic and surface area properties, whereas topology, physical properties, and atom or bond counts best capture the behavior in E. coli . In several cases, descriptor values that correspond to active antibiotics also correspond to significant barrier effects, highlighting the synergy between the two barriers where optimizing for one barrier promotes strengthening of the other barrier. Furthermore, both barriers should be considered when optimizing antibiotics for favorable OM permeability, efflux evasion, or both.

59 BASIC BIOLOGICAL SCIENCES↗

Efficient Capture and Release of the Rare-Earth Element Neodymium in Aqueous Solution by Recyclable Covalent Organic Frameworks

Rare-earth elements (REEs) are present in a broad range of critical materials. The development of solid adsorbents for REE capture could enable the cost-effective recycling of REE-containing magnets and electronics. In this context, covalent organic frameworks (COFs) are promising candidates for REE adsorption due to their exceptionally high surface area. Despite having attractive physical properties, COFs are heavily underutilized for REE capture applications due to their limited lifecycle in aqueous acidic environments, as well as synthetic challenges associated with the incorporation of ligands suitable for REE capture. Here, in this work, we show how the Ugi multicomponent reaction can be leveraged to postsynthetically modify imine-based COFs for the introduction of a diglycolic acid (DGA) moiety, an efficient scaffold for REE capture. The adsorption capacity of the DGA-functionalized COF was found to be more than 40 times higher than that of the pristine imine COF precursor and more than four times higher than that of the next-best reported DGA-functionalized solid support. This rationally designed COF has appealing characteristics of high adsorption capacity, fast and efficient capture and release of the REE ions, and reliable recyclability, making it one of the most promising adsorbents for solid–liquid REE ion extractions reported to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of Ocean Biogeochemistry and Carbon Cycling in CMIP Earth System Models With the International Ocean Model Benchmarking (IOMB) Software System

Abstract The International Ocean Model Benchmarking (IOMB) software package is a new community resource that we use here to evaluate surface and upper ocean biogeochemical variables and integrated anthropogenic carbon uptake from earth system models (ESMs) contributing to the 5th and 6th phases of the Coupled Model Intercomparison Project (CMIP5 and CMIP6). IOMB generates graphics and tables for systematically comparing model predictions against multiple datasets. Our analysis reveals some improvement in the multi‐model mean from CMIP5 to CMIP6 for most of the variables we examined. Compared to data‐constrained estimates of ocean anthropogenic carbon uptake for the 1994–2007 period, negative biases exist for many models between 30 and 50°S. Global model estimates of anthropogenic carbon uptake for the same period do not change significantly from CMIP5 to CMIP6, with the combined ensemble mean estimate of 27.8 ± 0.5 Pg C lower than a data‐constrained estimate of 33.0 ± 4.0 Pg C. At the same time, the change in the natural carbon inventory from CMIP is estimated to be a source of 0.7 ± 0.3 Pg C, which is considerably smaller in magnitude than a data‐constrained estimate of 5.0 ± 3.0 Pg C. With chlorofluorocarbon (CFC) predictions available for several models, we demonstrate that negative anthropogenic dissolved inorganic carbon biases coincide with negative biases in CFC concentration, highlighting the importance of weak exchange between the surface and interior ocean in regulating rates of anthropogenic carbon uptake. To examine the robustness of this attribution across the CMIP models, we calculate the global vertical temperature gradient between 200 and 1,000 m as a metric for global stratification and exchange between the surface and deeper waters. We find a linear relationship between the bias of the vertical temperature gradients and the bias in global anthropogenic carbon uptake, consistent with the hypothesis that model biases in anthropogenic carbon uptake are related to biases in surface‐to‐interior exchange by physical processes.

58 GEOSCIENCES↗