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At least 1,009 records · Page 56

How Does Water Dissociation Work in Bipolar Membranes?

Bipolar membranes (BPMs) create counteracting spatial gradients of pH and electrostatic potential in electrochemical systems, enabling applications in pH regulation, electrocatalysis, and separations. At the polarized junction of a BPM the water dissociation (WD, 2H2O ⇌ H3O+ + OH-) reaction can be driven, but it remains poorly understood. In this Perspective, we integrate molecular insights from bulk-water autoionization and the associated field effects with continuum descriptions of BPM electrostatics and experimental WD kinetic analyses to describe possible mechanisms of voltage-driven WD. Pristine BPM junctions highlight both the limits of primarily electric-field-driven WD and the practical challenges of junction stability at extreme reverse bias. Introducing heterogeneous catalyst layers, commonly metal oxides and graphene oxides, accelerates WD by orders of magnitude through hypothesized coupled effects in which surface acid-base functionality and high-density hydroxyl sites mediate proton-transfer steps, and catalyst mobile electronic/ionic charges redistribute the junction electric potential drop to shape the local electric fields and reactive microenvironments. Kinetic analyses suggest two regimes of heterogeneous WD mechanism, including field-driven ordering of interfacial water and a Second-Wien-Effect dissociation-barrier lowering. We conclude by defining the key unknown variables (local pH, electrostatic potential, catalyst charge state and relationships among mechanisms) and outlining experimental and multiscale modeling strategies needed for predictive WD catalysis and for controlling related ion-transfer reactions.

Wu, Yifan↗

Deep Data Analysis of Conductive Phenomena on Complex Oxide Interfaces: Physics from Data Mining

Spatial variability of electronic transport in BiFeO3-CoFe2O4 (BFO-CFO) self-assembled heterostructures is explored using spatially resolved first order reversal curve (FORC) current voltage (IV) mapping. Multivariate statistical analysis of FORC-IV data classifies statistically significant behaviors and maps characteristic responses spatially. In particular, regions of grain, matrix, and grain boundary responses are clearly identified. K-means and Bayesian demixing analysis suggests the characteristic response be separated into four components, with hysteretic type behavior localized at the BFO-CFO tubular interfaces. The conditions under which Bayesian components allow direct physical interpretation are explored, and transport mechanisms at the grain boundaries and individual phases are analyzed. This approach conjoins multivariate statistical analysis with physics-based interpretation, actualizing a robust, universal, data driven approach to problem solving, which can be applied to exploration of local transport and other functional phenomena in other spatially inhomogeneous systems.

big data↗

Chaos control of the micro-electro-mechanical resonator by using adaptive dynamic surface technology with extended state observer

This paper addresses chaos control of the micro-electro- mechanical resonator by using adaptive dynamic surface technology with extended state observer. To reveal the mechanism of the micro- electro-mechanical resonator, the phase diagrams and corresponding time histories are given to research the nonlinear dynamics and chaotic behavior, and Homoclinic and heteroclinic chaos which relate closely with the appearance of chaos are presented based on the potential function. To eliminate the effect of chaos, an adaptive dynamic surface control scheme with extended state observer is designed to convert random motion into regular motion without precise system model parameters and measured variables. Putting tracking differentiator into chaos controller solves the ‘explosion of complexity’ of backstepping and poor precision of the first-order filters. Meanwhile, to obtain high performance, a neural network with adaptive law is employed to approximate unknown nonlinear function in the process of controller design. The boundedness of all the signals of the closed-loop system is proved in theoretical analysis. Finally, numerical simulations are executed and extensive results illustrate effectiveness and robustness of the proposed scheme.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Initial assessment of second generation of large-area picosecond photodetectors with multi-channel systems-on-a-chip readout

Here, we first briefly describe the history and motivation behind Cherenkov and scintillation light detection. We then discuss the instrumentation needed to detect these photons as it applies to both photodetectors and readout electronics. One of the motivations is future large neutrino detectors that could, in principle, differentiate between Cherenkov and scintillation light if using novel water-based scintillators. In this paper, we present the first measurements utilizing the second generation of Large Area Picosecond Photodetectors (LAPPDs) in conjunction with commercial system-on-a-chip readouts from Nalu Scientific—in particular, the High Density System on Chip (HDSoC) and Advanced ASoC Rapid Digitizer, Variable Adaptive Readout Chip (AARDVARC) platforms. These state-of-the-art full-waveform digitizers feature sampling rates on the order of 1 and 10 samples per nanosecond, respectively. Using a picosecond laser, we measured the timing jitter between a pair of LAPPD channels, demonstrating the potential of this setup for precise timing applications.

Li, V. A. [Lawrence Livermore National Laboratory ↗

Saccharomycotina yeasts defy long-standing macroecological patterns

The Saccharomycotina yeasts (“yeasts” hereafter) are a fungal clade of scientific, economic, and medical significance. Yeasts are highly ecologically diverse, found across a broad range of environments in every biome and continent on earth; however, little is known about what rules govern the macroecology of yeast species and their range limits in the wild. Here, we trained machine learning models on 12,816 terrestrial occurrence records and 96 environmental variables to infer global distribution maps at ~1 km2 resolution for 186 yeast species (~15% of described species from 75% of orders) and to test environmental drivers of yeast biogeography and macroecology. We found that predicted yeast diversity hotspots occur in mixed montane forests in temperate climates. Diversity in vegetation type and topography were some of the greatest predictors of yeast species richness, suggesting that microhabitats and environmental clines are key to yeast diversity. We further found that range limits in yeasts are significantly influenced by carbon niche breadth and range overlap with other yeast species, with carbon specialists and species in high-diversity environments exhibiting reduced geographic ranges. Finally, yeasts contravene many long-standing macroecological principles, including the latitudinal diversity gradient, temperature-dependent species richness, and a positive relationship between latitude and range size (Rapoport’s rule). These results unveil how the environment governs the global diversity and distribution of species in the yeast subphylum. These high-resolution models of yeast species distributions will facilitate the prediction of economically relevant and emerging pathogenic species under current and future climate scenarios.

59 BASIC BIOLOGICAL SCIENCES↗

MOA-2010-BLG-073L: AN M-DWARF WITH A SUBSTELLAR COMPANION AT THE PLANET/BROWN DWARF BOUNDARY

We present an analysis of the anomalous microlensing event, MOA-2010-BLG-073, announced by the Microlensing Observations in Astrophysics survey on 2010 March 18. This event was remarkable because the source was previously known to be photometrically variable. Analyzing the pre-event source light curve, we demonstrate that it is an irregular variable over timescales >200 days. Its dereddened color, (V - I) {sub S,0}, is 1.221 {+-} 0.051 mag, and from our lens model we derive a source radius of 14.7 {+-} 1.3 R {sub Sun }, suggesting that it is a red giant star. We initially explored a number of purely microlensing models for the event but found a residual gradient in the data taken prior to and after the event. This is likely to be due to the variability of the source rather than part of the lensing event, so we incorporated a slope parameter in our model in order to derive the true parameters of the lensing system. We find that the lensing system has a mass ratio of q = 0.0654 {+-} 0.0006. The Einstein crossing time of the event, t {sub E} = 44.3 {+-} 0.1 days, was sufficiently long that the light curve exhibited parallax effects. In addition, the source trajectory relative to the large caustic structure allowed the orbital motion of the lens system to be detected. Combining the parallax with the Einstein radius, we were able to derive the distance to the lens, D{sub L} = 2.8 {+-} 0.4 kpc, and the masses of the lensing objects. The primary of the lens is an M-dwarf with M {sub L,1} = 0.16 {+-} 0.03 M {sub Sun }, while the companion has M {sub L,2} = 11.0 {+-} 2.0 M {sub J}, putting it in the boundary zone between planets and brown dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗

A GLOBAL MAGNETIC TOPOLOGY MODEL FOR MAGNETIC CLOUDS. II

In the present work, we extensively used our analytical approach to the global magnetic field topology of magnetic clouds (MCs), introduced in a previous paper, in order to show its potential and to study its physical consistency. The model assumes toroidal topology with a non-uniform (variable maximum radius) cross-section along them. Moreover, it has a non-force-free character and also includes the expansion of its cross-section. As is shown, the model allows us, first, to analyze MC magnetic structures-determining their physical parameters-with a variety of magnetic field shapes, and second, to reconstruct their relative orientation in the interplanetary medium from the observations obtained by several spacecraft. Therefore, multipoint spacecraft observations give the opportunity to infer the structure of this large-scale magnetic flux rope structure in the solar wind. For these tasks, we use data from Helios (A and B), STEREO (A and B), and Advanced Composition Explorer. We show that the proposed analytical model can explain quite well the topology of several MCs in the interplanetary medium and is a good starting point for understanding the physical mechanisms under these phenomena.

79 ASTRONOMY AND ASTROPHYSICS↗

Integrated Data Collection Analysis (IDCA) program--KClO 4 /Dodecane Mixture

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of a mixture of KClO 4 and dodecane—KClO 4 /dodecane mixture. This material was selected because of the challenge of performing SSST testing of a mixture of solid and liquid materials. The mixture was found to: 1) be less sensitive to impact than RDX, and PETN, 2) less sensitive to friction than RDX and PETN, and 3) less sensitive to spark than RDX and PETN. The thermal analysis showed little or no exothermic features suggesting that the dodecane volatilized at low temperatures. A prominent endothermic feature was observed and assigned to a phase transition of KClO 4 . This effort, funded by the Department of Homeland Security (DHS), ultimately will put the issues of safe handling of these materials in perspective with standard military explosives. The study is adding SSST testing results for a broad suite of different HMEs to the literature. Ultimately the study has the potential to suggest new guidelines and methods and possibly establish the SSST testing accuracies needed to develop safe handling practices for HMEs. Each participating testing laboratory uses identical test materials and preparation methods wherever possible. Note, however, the test procedures differ among the laboratories. The results are compared among the laboratories and then compared to historical data from various sources. The testing performers involved for the KClO 4 /dodecane mixture are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Indian Head Division, Naval Surface Warfare Center, (NSWC IHD), and Air Force Research Laboratory (AFRL/RXQL). These tests are conducted as a proficiency study in order to establish some consistency in test protocols, procedures, and experiments and to understand how to compare results when these testing variables cannot be made consistent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated Data Collection Analysis (IDCA) Program - KClO 4 /Carbon Mixture

The Integrated Data Collection Analysis (IDCA) program is conducting a proficiency study for Small- Scale Safety and Thermal (SSST) testing of homemade explosives (HMEs). Described here are the results for impact, friction, electrostatic discharge, and differential scanning calorimetry analysis of a mixture of KClO 4 and activated carbon—KClO 4 /C mixture. This material was selected because of the challenge of performing SSST testing of a mixture of two solids. The mixture was found to be insensitive to impact, friction, and thermal stimulus, and somewhat sensitive to spark discharge. This effort, funded by the Department of Homeland Security (DHS), ultimately will put the issues of safe handling of these materials in perspective with standard military explosives. The study is adding SSST testing results for a broad suite of different HMEs to the literature. Ultimately the study has the potential to suggest new guidelines and methods and possibly establish the SSST testing accuracies needed to develop safe handling practices for HMEs. Each participating testing laboratory uses identical test materials and preparation methods wherever possible. Note, however, the test procedures differ among the laboratories. The results are compared among the laboratories and then compared to historical data from various sources. The testing performers involved for the KClO 4 /carbon mixture are Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory (LANL), Indian Head Division, Naval Surface Warfare Center, (NSWC IHD), and Air Force Research Laboratory (AFRL/RXQL). These tests are conducted as a proficiency study in order to establish some consistency in test protocols, procedures, and experiments and to understand how to compare results when these testing variables cannot be made consistent.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effects of small marine energy deployments on oceanographic systems

The placement and operation of marine energy deployments in the ocean have the potential to change flow patterns, decrease wave heights, and/or remove energy from the oceanographic system. Changes in oceanographic systems resulting from harvesting marine energy, particularly tidal and wave energy, may be of concern. These changes include alterations in nearfield and farfield physical processes, as well as potential secondary environmental effects such as changes in sediment transport patterns, biological processes, or coastal erosion. Knowledge of changes in oceanographic systems associated with marine energy is primarily available from numerical modeling studies, informed by some laboratory tests and very few field measurements. A literature review was conducted using the Tethys knowledge base and other online sources, building on conclusions from the Ocean Energy Systems-Environmental State of the Science report. Potential changes in oceanographic systems that may be caused by marine energy differ between tidal and wave devices because of different extraction mechanisms and siting locations. Numerical models show that tidal extraction on the order of hundreds of megawatts or with significant channel blockage is required to create changes in oceanographic processes that exceed natural variability. Effects from wave energy extraction in arrays are localized and dependent on array spacing and proximity to the shore. Here the available evidence supports the conclusion that the risk of significant environmental effects from such changes could be retired (i.e., less investigation required for every project) for small deployments—those representative of the state of the industry in 2021. Determining changes in oceanographic systems to be low risk for small deployments can thereby streamline environmental consenting by reducing monitoring needs at this early stage in the industry.

54 ENVIRONMENTAL SCIENCES↗

Central Engine and Host Galaxy of RXJ 1301.9+2747: A Multiwavelength View of a Low-mass Black Hole Active Galactic Nuclei with Ultra-soft X-Ray Emission

RXJ 1301.9+2747 is an optically identified very-low-mass AGN candidate with M{sub BH}∼1×10{sup 6} M{sub ⊙}, which shows extremely soft X-ray emission and unusual X-ray variability in the form of short-lived flares. We present an analysis of multiwavelength observations of RXJ 1301.9+2747 in order to study the properties of the active nucleus and its host galaxy. The UV-to-X-ray spectrum in the quiescent state can be well and self-consistently described by a thermal and a Comptonized emission from the accretion disk, with the black body dominating ∼70% of the X-rays in the 0.2–2 keV. The same model can describe the X-ray spectrum in the flare state, but the Comptonized component becomes dominant (∼80%). The best fit implies an Eddington ratio of ∼0.14 and a black-hole mass of (1.7−2.8)×10{sup 6} M {sub ⊙}, in agreement with the estimation from the optical data within errors. However, the best-fitting model under predicts the optical flux for the HST point source by a factor of ∼2. The excess of nuclear optical emission could be attributed to a nuclear stellar cluster, which is frequently seen in low-mass AGNs. The X-ray to optical spectral slope (α{sub ox}) is lower than in most other active galaxies, which may be attributed to intrinsically X-ray weakness due to very little hot and optically thin coronal emission. We performed a pilot search for weak or hidden broad emission lines using optical spectropolarimetry observations, but no polarized broad lines are detected. The host galaxy appears to be a disk galaxy with a boxy pseudobulge or nuclear bar accounting for ∼15% of the total starlight, which is consistent with the general characteristics of the host of low-mass AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗

The influence of burn severity on dissolved organic carbon concentrations across a stream network differs based on seasonal wetness conditions

Large, high-severity wildfires in many regions across the globe have increased concerns about their impacts on carbon cycling in watersheds. Altered sources of carbon and changes in catchment hydrology after wildfire can lead to shifts in dissolved organic carbon (DOC) concentrations in streams, which can have negative impacts on aquatic ecosystem health and downstream drinking-water treatment. Despite its importance, post-fire DOC responses remain relatively unconstrained in the literature, and we lack critical knowledge of how burn severity, landscape elements, and climate interact to affect DOC concentrations. To improve our understanding of the impact of burn severity on DOC concentrations, we measured DOC at 129 sites across a stream network extending upstream, within, and downstream of a large, high-severity wildfire in Oregon, USA. We collected samples across the study sub-basin during four distinct seasonal wetness conditions. We used our high-spatial-resolution data to develop spatial stream network (SSN) models to predict DOC across the stream network and to improve our understanding of the controls on DOC concentrations. Spatially, we found no obvious wildfire signal – instead, we observed a pattern of increasing DOC concentrations from the high-elevation headwaters to the sub-basin outlet, while the mainstem maintained consistently low DOC concentrations. This suggests that effects from large wildfires may be “averaged” out at higher stream orders and larger spatial scales. When we grouped DOC concentrations by burn severity group, we observed a significant decrease in the variability of DOC concentrations in the moderate and high burn severity sub-catchments. However, our SSN models were able to predict decreases in DOC concentrations with increases in burn severity across the stream network. Decreases in DOC concentrations were also highly variable across seasonal wetness conditions, with the greatest (–1.40 to –1.64 mg L –1 ) decrease occurring in the high-severity group during the wetting season. Additionally, our models indicated that in all seasons, baseflow index was more influential in predicting DOC concentrations than burn severity was, indicating that groundwater discharge can obscure the impacts of wildfire in a stream network. Overall, our results suggested that landscape characteristics can regulate the DOC response to wildfire. Moreover, our results also indicated that the seasonal timing of sampling can influence the observed response of DOC concentrations to wildfire.

54 ENVIRONMENTAL SCIENCES↗

Decay Heat Surrogate Modeling for High Temperature Reactors

The accuracy of the safety analysis of Nuclear Power Plants, in general, and the High Temperature Reactors, in particular, is driven by several factors, among which the accuracy of decay heat curves or calculation. This paper is aimed to present a methodology based on the usage of the RAVEN code for the construction of a multi-dimensional decay heat curve for High Temperature Reactors, via calculations performed by ORIGEN. The main goal of this activity has been the identification of a model able to surrogate the phenomenology of the decay heat after shutdown, satisfying the following requirements: 1) Reasonable prediction accuracy till 1 month after the shutdown, 2) Ability to capture the main deviation effects determined by field conditions (e.g. burn-up, fuel temperature, fissile enrichment, etc.), 3) As easy as possible formalism in order to possibly allow the implementation of the curve into system codes (e.g. RELAP5-3D) inputs exploiting, for example, control variable capabilities. Three surrogate models (also known as decay heat curves in the safety analysis nomenclature) have been identified: 1) Spline Exponential surrogate model, 2) A Support Vector Regression model and, 3) A Dynamic Mode Decomposition model. The aim of this paper is to present the mathematical background of the identified surrogate models and their performance in the prediction of decay heat evolution for High Temperature Reactors. A preliminary comparison of the surrogate model performances is finally reported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Compression of tokamak boundary plasma simulation data using a maximum volume algorithm for matrix skeleton decomposition

This report demonstrates satisfactory data compression of SOLPS-ITER simulation output ranging from 2D fields, 1D profiles, and 0D scalar variables with a novel matrix decomposition approach. The singular value decomposition (SVD) scales poorly for large matrix sizes and is unsuited to the application on high dimensional data common to fusion plasma physics simulation. In this work, we employ the columns-submatrix-rows (CUR) matrix factorization technique in order to compute a low-rank approximation up to two orders of magnitude faster than the SVD, but within a nominal L2-norm relative error of ε = 10 –2 . In addition, the CUR approach maintains the original format of the data, in its extracted columns and rows, allowing for interpretable data storage at the original resolution of the simulation. We utilize an iterative algorithm to compute the CUR decomposition of simulation output by maximizing the volume, or linearly independent information content, of a low-rank submatrix contained within the data. Experiments over $\textit{n} × \textit{n}$ randomized test matrices with embedded rank-deficient features show that this maximum volume implementation of CUR matrix approximation has reduced asymptotic computational complexity on the order of n compared to the SVD, which scales approximately as $n^3$. These results show that the CUR technique can be used to effectively select time step snapshots (columns) of over 140 SOLPS-ITER output variables and the associated discretized coordinate timeseries (rows) allowing for reconstruction of the complete simulation dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A family of rare earth uranium oxides, RE{sub 6}UO{sub 12-δ}, (RE = Rare Earth). Synthesis, structure and magnetic behavior

Highlights: • A series of rare earth urinates, RE{sub 6}UO{sub 12}, were synthesized using the solid state method. • The crystal structures of RE{sub 6}UO{sub 12} were refined using the Rietveld method. • Magnetic properties were measured and AF ordering was observed in RE = Gd, Tb, Dy. - Abstract: A series of rare earth uranates, RE{sub 6}UO{sub 12-δ} (RE = La, Nd, Sm – Dy, Er and Yb), were synthesized via the solid state method and their structures were determined using the Rietveld method. These compounds crystallize in the rhombohedral space group R-3H with the lattice parameters a = 10.47005(3) Å and c = 9.98034(3) Å for the La analogue. The temperature and field dependent magnetization are reported for each analogue. Antiferromagnetic ordering is observed for RE = Gd, Tb, and Dy with Néel temperatures of 2.1 K, 5.8 K, and 2.8 K, respectively. Magnetic measurements on the La{sub 6}UO{sub 12} analogue indicate the presence of some U{sup 5+}, and therefore, oxygen vacancies in the structure. The variability of the U valence is examined.

36 MATERIALS SCIENCE↗

Scenario generation for stochastic optimization problems via the sparse grid method

We study the use of sparse grids in the scenario generation (or discretization) problem in stochastic programming problems where the uncertainty is modeled using a continuous multivariate distribution. We show that, under a regularity assumption on the random function involved, the sequence of optimal objective function values of the sparse grid approximations converges to the true optimal objective function values as the number of scenarios increases. The rate of convergence is also established. We treat separately the special case when the underlying distribution is an affine transform of a product of univariate distributions, and show how the sparse grid method can be adapted to the distribution by the use of quadrature formulas tailored to the distribution. We numerically compare the performance of the sparse grid method using different quadrature rules with classic quasi-Monte Carlo (QMC) methods, optimal rank-one lattice rules, and Monte Carlo (MC) scenario generation, using a series of utility maximization problems with up to 160 random variables. The results show that the sparse grid method is very efficient, especially if the integrand is sufficiently smooth. In such problems the sparse grid scenario generation method is found to need several orders of magnitude fewer scenarios than MC and QMC scenario generation to achieve the same accuracy. As a result, it is indicated that the method scales well with the dimension of the distribution--especially when the underlying distribution is an affine transform of a product of univariate distributions, in which case the method appears scalable to thousands of random variables.

97 MATHEMATICS AND COMPUTING↗

Lattice instability and magnetic phase transitions in strongly correlated MnAs

Using variable temperature x-ray total scattering in magnetic field, we study the interaction between lattice and magnetic degrees of freedom in MnAs, which loses its ferromagnetic order and hexagonal ('H') lattice symmetry at 318 K to recover the latter and become a true paramagnet when the temperature is increased to 400 K. Our results show that the 318 K transition is accompanied by highly anisotropic displacements of Mn atoms that appear as a lattice degree of freedom bridging the 'H' and orthorhombic phases of MnAs. This is a rare example of a lowering of an average crystal symmetry due to an increased displacive disorder emerging on heating. Furthermore, our results also show that magnetic and lattice degrees of freedom appear coupled but not necessarily equivalent control variables for triggering phase transitions in strongly correlated systems in general and in particular in MnAs.

36 MATERIALS SCIENCE↗

Geometric Field Errors of Short Models for MQXF, the Nb3Sn Low-β Quadrupole for the High Luminosity LHC

© 2002-2011 IEEE. In the framework of the high-luminosity upgrade of the large hadron collider, the U.S. LARP collaboration and CERN are jointly developing a 150-mm aperture Nb3Sn quadrupole for the Large Hadron Collider (LHC) interaction regions. Due to the large beam size and orbit displacement in the final focusing triplet, MQXF has challenging targets for field quality at nominal operation conditions. Three short model magnets have been tested and around 30 coils have been built, allowing a first analysis of the reproducibility of the coil size and turns positioning. The impact of the coil shimming on field quality is evaluated, with special emphasis on the warm magnetic measurements and the correlation to field measurements at cold and nominal field. The variability of the field harmonics along the magnet axis is studied by means of a Monte-Carlo analysis and the effects of the corrective actions implemented to suppress the low-order unallowed multipoles are discussed.

Bermudez, Susana Izquierdo↗