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At least 163 records · Page 9

A consistent dataset for the net income distribution for 190 countries and aggregated to 32 geographical regions from 1958 to 2015

Abstract. Data on income distributions within and across countries are becoming increasingly important for informing analysis of income inequality and understanding the distributional consequences of climate change. While datasets on income distribution collected from household surveys are available for multiple countries, these datasets often do not represent the same concept of inequality (or income concept) and therefore make comparisons across countries, over time and across datasets difficult. Here, we present a consistent dataset of income distributions across 190 countries from 1958 to 2015 measured in terms of net income. We complement the observed values in this dataset with values imputed from a summary measure of the income distribution, specifically the Gini coefficient. For the imputation, we use a recently developed nonparametric principal-component-based approach that shows an excellent fit to data on income distributions compared to other approaches. We also present another version of this dataset aggregated from the country level to 32 geographical regions. Our dataset is developed for the purpose of calibrating models such as integrated human–Earth system models with detailed data on income distributions. This dataset will enable more robust analysis of income distribution at multiple scales. The latest version of our data are available on Zenodo: https://doi.org/10.5281/zenodo.7093997 (Narayan et al., 2022b).

97 MATHEMATICS AND COMPUTING↗

Patterns and rates of soil movement and shallow failures across several small watersheds on the Seward Peninsula, Alaska

Abstract. Thawing permafrost can alter topography, ecosystems, and sediment and carbon fluxes, but predicting landscape evolution of permafrost-influenced watersheds in response to warming and/or hydrological changes remains an unsolved challenge. Sediment flux and slope instability in sloping saturated soils have been commonly predicted from topographic metrics (e.g., slope, drainage area). In addition to topographic factors, cohesion imparted by soil and vegetation and melting ground ice may also control spatial trends in slope stability, but the distribution of ground ice is poorly constrained and hard to predict. To address whether slope stability and surface displacements follow topographic-based predictions, we document recent drivers of permafrost sediment flux present on a landscape in western Alaska that include creep, solifluction, gullying, and catastrophic hillslope failures ranging in size from a few meters to tens of meters, and we find evidence of rapid and substantial landscape change on an annual timescale. We quantify the timing and rate of surface movements using a multi-pronged, multi-scalar dataset including aerial surveys, interannual GPS surveys, synthetic aperture radar interferometry (InSAR), and climate data. Despite clear visual evidence of downslope soil transport of solifluction lobes, we find that the interannual downslope surface displacement of these features does not outpace downslope displacement of soil in locations where lobes are absent (downslope movement means: 7 cm yr−1 for lobes over 2 years vs. 10 cm yr−1 in landscape positions without lobes over 1 year). Annual displacements do not appear related to slope, drainage area, or modeled total solar radiation but are likely related to soil thickness, and volumetric sediment fluxes are high compared to temperate landscapes of comparable bedrock lithology. Time series of InSAR displacements show accelerated movement in late summer, associated with intense rainfall and/or deep thaw. While mapped slope failures do cluster at slope–area thresholds, a simple slope stability model driven with hydraulic conductivities representative of throughflow in mineral and organic soil drastically overpredicts the occurrence of slope failures. This mismatch implies permafrost hillslopes have unaccounted-for cohesion and/or throughflow pathways, perhaps modulated by vegetation, which stabilize slopes against high rainfall. Our results highlight the breadth and complexity of soil transport processes in Arctic landscapes and demonstrate the utility of using a range of synergistic data collection methods to observe multiple scales of landscape change, which can aid in predicting periglacial landscape evolution.

54 ENVIRONMENTAL SCIENCES↗

The pantropical response of soil moisture to El Niño

Abstract. The 2015–2016 El Niño event ranks as one of the most severe on record in terms of the magnitude and extent of sea surface temperature (SST) anomalies generated in the tropical Pacific Ocean. Corresponding global impacts on the climate were expected to rival, or even surpass, those of the 1997–1998 severe El Niño event, which had SST anomalies that were similar in size. However, the 2015–2016 event failed to meet expectations for hydrologic change in many areas, including those expected to receive well above normal precipitation. To better understand how climate anomalies during an El Niño event impact soil moisture, we investigate changes in soil moisture in the humid tropics (between ±25∘) during the three most recent super El Niño events of 1982–1983, 1997–1998 and 2015–2016, using data from the Global Land Data Assimilation System (GLDAS). First, we use in situ soil moisture observations obtained from 16 sites across five continents to validate and bias-correct estimates from GLDAS (r2=0.54). Next, we apply a k-means cluster analysis to the soil moisture estimates during the El Niño mature phase, resulting in four groups of clustered data. The strongest and most consistent decreases in soil moisture occur in the Amazon basin and maritime southeastern Asia, while the most consistent increases occur over eastern Africa. In addition, we compare changes in soil moisture to both precipitation and evapotranspiration, which showed a lack of agreement in the direction of change between these variables and soil moisture most prominently in the southern Amazon basin, the Sahel and mainland southeastern Asia. Our results can be used to improve estimates of spatiotemporal differences in El Niño impacts on soil moisture in tropical hydrology and ecosystem models at multiple scales.

54 ENVIRONMENTAL SCIENCES↗

Environmental controls on observed spatial variability of soil pore water geochemistry in small headwater catchments underlain with permafrost

Abstract. Soil pore water (SPW) chemistry can vary substantially across multiple scales in Arctic permafrost landscapes. The magnitude of these variations and their relationship to scale are critical considerations for understanding current controls on geochemical cycling and for predicting future changes. These aspects are especially important for Arctic change modeling where accurate representation of sub-grid variability may be necessary to predict watershed-scale behaviors. Our research goal is to characterize intra- and inter-watershed soil water geochemical variations at two contrasting locations in the Seward Peninsula of Alaska, USA. We then attempt to identify the key factors controlling concentrations of important pore water solutes in these systems. The SPW geochemistry of 18 locations spanning two small Arctic catchments was examined for spatial variability and its dominant environmental controls. The primary environmental controls considered were vegetation, soil moisture and/or redox condition, water–soil interactions and hydrologic transport, and mineral solubility. The sampling locations varied in terms of vegetation type and canopy height, presence or absence of near-surface permafrost, soil moisture, and hillslope position. Vegetation was found to have a significant impact on SPW NO3- concentrations, associated with the localized presence of nitrogen-fixing alders and mineralization and nitrification of leaf litter from tall willow shrubs. The elevated NO3- concentrations were, however, frequently equipoised by increased microbial denitrification in regions with sufficient moisture to support it. Vegetation also had an observable impact on soil-moisture-sensitive constituents, but the effect was less significant. The redox conditions in both catchments were generally limited by Fe reduction, seemingly well-buffered by a cache of amorphous Fe hydroxides, with the most reducing conditions found at sampling locations with the highest soil moisture content. Non-redox-sensitive cations were affected by a wide variety of water–soil interactions that affect mineral solubility and transport. Identification of the dominant controls on current SPW hydrogeochemistry allows for qualitative prediction of future geochemical trends in small Arctic catchments that are likely to experience warming and permafrost thaw. As source areas for geochemical fluxes to the broader Arctic hydrologic system, geochemical processes occurring in these environments are particularly important to understand and predict with regards to such environmental changes.

Conroy, Nathan Alec (ORCID:0000000305973373)↗

Field Experiments and Model Validation: The EGS Collab Project

Implementing enhanced geothermal systems (EGS) will require improvements in understanding stimulation of crystalline rock to create appropriate flow pathways, and the ability to effectively simulate both the stimulation and the flow and transport processes in the resulting fracture network. The US Department of Energy (DOE) is addressing these and other challenges at multiple scales. The EGS Collab project, addressed here, is performing tests and modeling at the 10 m scale. The FORGE project is performing tests at the full reservoir scale. The EGS Collab team created an underground testbed at the Sanford Underground Research Facility (SURF) in Lead, South Dakota, at a depth of approximately 1.5 km to examine hydraulic fracturing (Experiment 1). We are currently building a second testbed at SURF at a depth of about 1.25 km aimed at investigating shear stimulation (Experiment 2). In Experiment 1, we drilled eight boreholes in a well-characterized phyllite and installed geophysical sensors in six of them to create a well-instrumented testbed to allow careful monitoring of stimulation events and flow tests. Numerical simulation was used to answer key experimental design questions, to forecast fracture propagation trajectories and extents, and to analyze and evaluate results both in near-real-time and in detailed process studies. Stimulations performed in this testbed allowed quantification of processes occurring during stimulation and the examination of dynamic flow occurrences. Long-term ambient temperature and chilled water flow tests were performed in addition to many tracer tests to examine system behavior. Our second testbed, targeted at shear stimulation, is currently being built at the SURF Facility at a depth of about 1.25 km in amphibolite under a different set of stress and fracture conditions than Experiment 1.

artificial intelligence↗

Quantum Networks for High Energy Physics

Quantum networks of quantum objects promise to be exponentially more powerful than the objects considered independently. To live up to this promise will require the development of error mitigation and correction strategies to preserve quantum information as it is initialized, stored, transported, utilized, and measured. The quantum information could be encoded in discrete variables such as qubits, in continuous variables, or anything in-between. Quantum computational networks promise to enable simulation of physical phenomena of interest to the HEP community. Quantum sensor networks promise new measurement capability to test for new physics and improve upon existing measurements of fundamental constants. Such networks could exist at multiple scales from the nano-scale to a global-scale quantum network.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Data for KETCHUP: Parameterizing of Large-Scale Kinetic Models Using Multiple Datasets with Different Reference States

Repository for Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the steady-state fluxes and concentrations in wild-type and perturbed metabolic networks. KETCHUP can use K-FIT [2] input files. Example K-FIT input files are located in the K-FIT repository at https://github.com/maranasgroup/K-FIT.

Metabolomics↗

Modeling Land-Atmosphere Coupling at Cloud-Resolving Scale Within the Multiple Atmosphere Multiple Land (MAML) Framework in SP-E3SM

Representing subgrid variabilities of land surface processes and their upscaled effects is crucial for global climate modeling. Here, we implement a Multiple Atmosphere Multiple Land (MAML) framework in the superparamaterized version of E3SM (SP32 E3SM) to explicitly simulate the subgrid variabilities of land states and fluxes at cloud-resolving scale and their interactions with atmosphere. Comparing to the standard SP-E3SM in which all the atmospheric columns of the cloud resolving model embedded within the global atmospheric model grid interact with the same land surface (i.e., Multiple Atmosphere Single Land (MASL)), the impact of MAML on the strength of land-atmosphere coupling is limited, partly because the current implementation mainly facilitates one-way coupling between the cloud-resolving model and the land surface model. Despite such limitation, MAML increases the surface latent heat flux at the expense of sensible heat flux, and increases precipitation in India, Amazon, and Central Africa, reducing the model dry bias compared to the standard SP-E3SM. By employing a normalized gross moist stability (NGMS) diagnostic framework, we find that the increase in precipitation minus evaporation (PE) is primarily driven by the change in large-scale moisture convergence, particularly by the increase of water vapor in the lower atmosphere, while the local effect of total surface energy flux plays a minor role in the P-E change. More specifically, MAML changes the surface energy partitioning (evaporative fraction), increases the atmosphere water vapor, and further increases P-E by decreasing the NGMS. Finally, future development in the MAML framework is discussed.

54 ENVIRONMENTAL SCIENCES↗

Design of radial interferometer–polarimeter for internal magnetic and density fluctuation measurements at multiple space–time scales in the National Spherical Torus Experiment-Upgrade (NSTX-U)

A Faraday-effect radial interferometer–polarimeter is designed for the National Spherical Torus Experiment-Upgrade (NSTX-U) to measure multiscale magnetic and density fluctuations critical to understanding fusion plasma confinement and stability, including those originating from magnetohydrodynamic instabilities, energetic particle-driven modes, and turbulence. The diagnostic will utilize the three-wave technique with 5 MHz bandwidth to simultaneously measure line-integrated magnetic and density fluctuations up to the ion-cyclotron frequency. Probe beams will be launched radially from the low-field side at the NSTX-U midplane, where the measured Faraday fluctuations mainly correspond to radial magnetic fluctuations that directly link to magnetic transport. A correlation technique will be employed to reduce the measurement noise to below 0.01° enabling detection of small amplitude fluctuations. Two toroidally displaced chords with 7° separation will be installed to measure toroidal mode numbers up to n = 25 for mode identification. Finally, solid-state microwave sources operating at 321 μm (935 GHz) will be used to minimize the impact of the Cotton–Mouton effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Deformation-enhanced hierarchical multiscale structure heterogeneity in a Pd-Si bulk metallic glass

Here, the multiscale structures in a Pd 82 Si 18 binary bulk metallic glass before and after deformation were studied using electron microscopies, high-energy synchrotron X-ray diffraction, and small-angle scattering techniques. The experimental results revealed an enhancement of hierarchical structure heterogeneities on multiple length scales after deformation. Hierarchical multiple shear bands of high number density were observed after bending, introducing complex but periodically distributed residual strain. Pair distribution function analysis revealed that the connectivity of the short-range clusters on the medium-range scale determines the packing density difference between the tension side and the compression side in the sample after bending. In-situ synchrotron X-ray diffraction study also revealed a transformation of connection modes among short-range clusters under uniaxial tension and compression, which is consistent with those of triaxial tension/compression parts upon bending in Pd 82 Si 18 glassy alloys. The nanoscale heterogeneities for metallic glasses after deformation observed by small-angle scattering and transmission electron microscopy may be attributed to the nanoscale amorphous phase separation and interacting multiple shear bands enhanced by plastic deformation. Our findings suggested that the enhancement of hierarchical heterogeneous structure on multiple length scales may explain the excellent plasticity of Pd-Si glassy alloys, deepening the understanding of structure-property relation during plastic deformation in metallic glasses.

36 MATERIALS SCIENCE↗

KETCHUP: Parameterizing of large-scale kinetic models using multiple datasets with different reference states

Large-scale kinetic models provide the computational means to dynamically link metabolic reaction fluxes to metabolite concentrations and enzyme levels while also conforming to substrate level regulation. However, the development of broadly applicable frameworks for efficiently and robustly parameterizing models remains a challenge. Challenges arise due to both the heterogeneity, paucity, and difficulty in obtaining flux and/or concentration data but also due to the computational difficulties of the underlying parameter identification problem. Both the computational demands for parameterization, degeneracy of obtained parameter solutions and interpretability of results has so far limited widespread adoption of large-scale kinetic models despite their potential. Herein, we introduce the Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the (non)steady-state fluxes and concentrations in wild-type and perturbed metabolic networks. KETCHUP is benchmarked against previously parameterized large-scale kinetic models demonstrating an at least an order of magnitude faster convergence than the tool K-FIT while at the same time attaining better data fits. Finally, this versatile toolbox accepts different kinetic descriptions, metabolic fluxes, enzyme levels and metabolite concentrations, under either steady-state or instationary conditions to enable robust kinetic model construction and parameterization. KETCHUP supports the SBML format and can be accessed at https://github.com/maranasgroup/KETCHUP.

59 BASIC BIOLOGICAL SCIENCES↗

Developing Scaling Relationships for Molecular Electrocatalysis through Studies of Fe-Porphyrin-Catalyzed O 2 Reduction

The oxygen reduction reaction (ORR) is a multiproton/multielectron transformation in which dioxygen (O 2 ) is reduced to water or hydrogen peroxide and serves as the cathode reaction in most fuel cells. The ORR (O 2 + 4e – + 4H + → 2H 2 O) involves up to nine substrates and thus requires navigating a complicated reaction landscape, typically with several high-energy intermediates. Many catalysts can perform this reaction, though few operate with fast rates and at low overpotentials (close to the thermodynamic potential). Attempts to optimize these parameters, both in homogeneous and heterogeneous electrocatalytic systems, have focused on modifying catalyst design and understanding kinetic/thermodynamic relationships between catalytic intermediates. One such method for analyzing and predicting catalyst reactivity and efficiency has been the development of “molecular scaling relationships”. In this work, we share our experience deriving and utilizing molecular scaling relationships for soluble, iron-porphyrin-catalyzed O 2 reduction in organic solvents. These relationships correlate turnover frequencies (TOF max ) and effective overpotentials (η eff ), properties uniquely defined for homogeneous catalysts. Following a general introduction of scaling relationships for both homogeneous and heterogeneous electrocatalysis, we describe the components of such scaling relationships: (i) the overall thermochemistry of the reaction and (ii) the rate and rate law of the catalyzed reaction. We then show how connecting these thermodynamic and kinetic parameters reveals multiple molecular scaling relationships for iron-porphyrin-catalyzed O 2 reduction. For example, the log(TOF max ) responds steeply to changes in ηeff that result from different catalyst reduction potentials (18.5 decades in TOF max /V in η eff ) but much less dramatically to changes in η eff that arise from varying the pKa of the acid buffer (5.1 decades in TOF max /V in η eff ). Thus, a single scaling relationship is not always sufficient for describing molecular electrocatalysis. This is particularly evident when the catalyst identity and reaction conditions are coupled. Using these multiple scaling relationships, we demonstrate that the metrics of turnover frequency and effective overpotential can be predictably tuned to achieve faster rates at lowered overpotentials. This Account uses a collection of related stories describing our research on soluble iron-porphyrin-catalyzed ORR to show how molecular scaling relationships can be derived and used for any electrocatalytic reaction. Such scaling relationships are powerful tools that connect the thermochemistry, mechanism, and rate law for a catalytic system. We hope that this collection shows the utility and simplicity of the molecular scaling approach for understanding catalysis, for enabling direct comparisons between catalyst systems, and for optimizing catalytic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fiber optic computing using distributed feedback

Abstract The widespread adoption of machine learning and other matrix intensive computing algorithms has renewed interest in analog optical computing, which has the potential to perform large-scale matrix multiplications with superior energy scaling and lower latency than digital electronics. However, most optical techniques rely on spatial multiplexing, requiring a large number of modulators and detectors, and are typically restricted to performing a single kernel convolution operation per layer. Here, we introduce a fiber-optic computing architecture based on temporal multiplexing and distributed feedback that performs multiple convolutions on the input data in a single layer. Using Rayleigh backscattering in standard single mode fiber, we show that this technique can efficiently apply a series of random nonlinear projections to the input data, facilitating a variety of computing tasks. The approach enables efficient energy scaling with orders of magnitude lower power consumption than GPUs, while maintaining low latency and high data-throughput.

97 MATHEMATICS AND COMPUTING↗

2020 State of the Science Report, Chapter 7: Changes in Oceanographic Systems Associated with Marine Renewable Energy Devices

Oceanographic processes define the marine environment: the flow of water determines the concentrations of dissolved gases and nutrients, transports sediments, and maintains the habitats and water quality that support marine organisms and healthy ecosystems. Important physical processes in the ocean include, but are not limited to, tidal circulation and basin flushing, wave action, local and basin-scale ocean currents, temperature and salinity gradients, sediment transport forming and shaping coastlines, and the exchange of heat and dissolved gases at the air-water interface. Harnessing energy with marine renewable energy (MRE) devices has the potential to affect these processes in both the nearfield (within a few device lengths) and the farfield (farther from the device, from the scale of multiple devices to the scale of an enclosed basin) by removing energy from the system, changing natural flow patterns around devices, and/or decreasing wave heights. https://tethys.pnnl.gov/publications/state-of-the-science-2020-chapter-7-oceanographic-systems

54 ENVIRONMENTAL SCIENCES↗

Deciphering Photoinduced Catalytic Reaction Mechanisms in Natural and Artificial Photosynthetic Systems on Multiple Temporal and Spatial Scales Using X-ray Probes

Utilization of renewable energies for catalytically generating value-added chemicals is highly desirable in this era of rising energy demands and climate change impacts. Artificial photosynthetic systems or photocatalysts utilize light to convert abundant CO 2 , H 2 O, and O 2 to fuels, such as carbohydrates and hydrogen, thus converting light energy to storable chemical resources. Here, the emergence of intense X-ray pulses from synchrotrons, ultrafast X-ray pulses from X-ray free electron lasers, and table-top laser-driven sources over the past decades opens new frontiers in deciphering photoinduced catalytic reaction mechanisms on the multiple temporal and spatial scales. Operando X-ray spectroscopic methods offer a new set of electronic transitions in probing the oxidation states, coordinating geometry, and spin states of the metal catalytic center and photosensitizers with unprecedented energy and time resolution. Operando X-ray scattering methods enable previously elusive reaction steps to be characterized on different length scales and time scales. The methodological progress and their application examples collected in this review will offer a glimpse into the accomplishments and current state in deciphering reaction mechanisms for both natural and synthetic systems. Looking forward, there are still many challenges and opportunities at the frontier of catalytic research that will require further advancement of the characterization techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

State of the art in low-temperature and high-temperature electrolysis

Water electrolysis is gaining traction in large-scale applications, with production of multiple technologies scaling to hundreds and thousands of megawatts of new electrolyzer capacity annually. Low-temperature electrolysis has dominated the electrolyzer market for decades, but still only represents a small amount of the overall hydrogen market, due to the higher production costs versus hydrogen derived from fossil fuels. Advances are needed in capital cost and efficiency to close the cost gap, especially for energy applications. Similarly, while high-temperature electrolyzers can operate more efficiently, reducing the operating cost, they still need further scale-up and cost reduction to compete in these markets. Understanding the recent advances in each and the priority research directions is important to focus and accelerate innovation, and will be discussed in this article. The different advantages and disadvantages of each of these technologies will also be reviewed; there will likely be applications for each in the overall deployment of renewable hydrogen.

36 MATERIALS SCIENCE↗

Importance of Multiplicity Fluctuations in Entropy Scaling

One of the greatest uncertainties in heavy-ion collisions is the description of the initial state. Different models predict a wide range of initial energy density distributions based on their underlying assumptions. Final flow harmonics are sensitive to these differences in the initial state due to the nearly linear mapping between eccentricities and anisotropic flow harmonics. The Trento code uses a model-agnostic approach by phenomenologically parameterizing the initial state and constraining those parameters from a Bayesian analysis. There the multiplicity fluctuations were determined by a one parameter Γ distribution. However, initial-state models arising from the Color-Glass Condensate (CGC) framework lead to an initial energy density which is outside the functional form considered in Trento and its later Bayesian analyses because they rely on log-normal multiplicity fluctuations. We compare T A T B scaling (CGC-like) to √T A T B scaling (preferred from a Trento Bayesian analysis) and find that the T A T B form together with log-normal fluctuations is a reasonable candidate to describe the multiplicity fluctuations but leads to larger eccentricities, which would affect the extraction of viscosity in small systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Additive manufacturing and processing of architected materials

Architected materials are a unique and emerging class of materials where performance is fundamentally controlled by geometry at multiple length scales, from the nano- to the macroscale, rather than chemical composition alone. As a result, the realization of these remarkable materials is contingent upon the ability to faithfully reproduce the designed architecture. Furthermore, this presents fundamental challenges in fabrication due to the required three-dimensional complexity, multiple length scales, range of material constituents, possibility of multiple materials in a single architecture, and overall manufacturing throughput. Additive manufacturing (AM) processes can provide solutions to some of these challenges and are discussed in this article. Specifically, light-based and extrusion-based processes and associated materials are presented with an emphasis on recent developments, including volumetric additive manufacturing, and on-the-fly mixing of materials in extrusion-based printing systems. While remarkable advancements have been made in AM for architected materials, bringing these materials and processes to industrial realization remains a significant challenge.

36 MATERIALS SCIENCE↗