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At least 1,387 records · Page 77

Seasonal Redistribution of Water in the Surficial Martian Regolith: Results of the HEND Data Analysis

The global mapping of the neutrons emission from the Mars, conducted recently by HEND instrument (Mars Odyssey), has shown that the surface layer (1-2 m) on the high latitudes of the planet (up to 50 ) is very reached by water ice with abundance more 50% by mass [1,2,3 ]. It was also shown that water ice distribution in surficial layer of the northern and the southern sub-polar regions is notably different [4]. Until today the existing HEND data already covers the period more then one the Martian year. This let to study the seasonal effects of volatiles redistribution associated with processes of sublimation and condensation of the seasonal polar caps and water exchange between the surface regolith and atmosphere. The goal of our work was to analyze the dynamic of the globally mapped neutrons flux as key to understanding of the seasonal redistribution of the water ice in the surface layer. For this we analyzed the globally mapped flux of the neutrons with different energy and corresponding effective layer of their emission.

Kuzmin, R. O.↗

MicroShell Minimalist Shell for Xilinx Microprocessors

MicroShell is a lightweight shell environment for engineers and software developers working with embedded microprocessors in Xilinx FPGAs. (MicroShell has also been successfully ported to run on ARM Cortex-M1 microprocessors in Actel ProASIC3 FPGAs, but without project-integration support.) Micro Shell decreases the time spent performing initial tests of field-programmable gate array (FPGA) designs, simplifies running customizable one-time-only experiments, and provides a familiar-feeling command-line interface. The program comes with a collection of useful functions and enables the designer to add an unlimited number of custom commands, which are callable from the command-line. The commands are parameterizable (using the C-based command-line parameter idiom), so the designer can use one function to exercise hardware with different values. Also, since many hardware peripherals instantiated in FPGAs have reasonably simple register-mapped I/O interfaces, the engineer can edit and view hardware parameter settings at any time without stopping the processor. MicroShell comes with a set of support scripts that interface seamlessly with Xilinx's EDK tool. Adding an instance of MicroShell to a project is as simple as marking a check box in a library configuration dialog box and specifying a software project directory. The support scripts then examine the hardware design, build design-specific functions, conditionally include processor-specific functions, and complete the compilation process. For code-size constrained designs, most of the stock functionality can be excluded from the compiled library. When all of the configurable options are removed from the binary, MicroShell has an unoptimized memory footprint of about 4.8 kB and a size-optimized footprint of about 2.3 kB. Since MicroShell allows unfettered access to all processor-accessible memory locations, it is possible to perform live patching on a running system. This can be useful, for instance, if a bug is discovered in a routine but the system cannot be rebooted: Shell allows a skilled operator to directly edit the binary executable in memory. With some forethought, MicroShell code can be located in a different memory location from custom code, permitting the custom functionality to be overwritten at any time without stopping the controlling shell.

Werne, Thomas A.↗

Estimating snow cover from high-resolution satellite imagery by thresholding blue wavelengths

We report the extent and duration of snow cover, a critical component of the hydrologic cycle and the global climate system, is expected to shift dramatically under climate change. Therefore, developing high-resolution assessments of snow cover change is crucial for estimating the impact of changing snow cover on watershed and ecosystems processes in cold regions. Remote sensing tools provide a powerful method for mapping snow-covered area (SCA) across a landscape. The most common method for estimating SCA utilizes the normalized difference snow index (NDSI), which relies on spectral measurements in the shortwave-infrared wavelengths (SWIR). NDSI can effectively estimate catchment- to regional-scale SCA, but it cannot be used to assess fine-scale SCA because of current limitations on the spatial resolution of satellite-derived SWIR measurements. Here, we map SCA using a threshold of blue wavelengths and high-resolution satellite imagery. The thresholding method, which we call the Blue Snow Threshold algorithm (BST), has previously been used with digital camera imagery. We refine and automate the algorithm for use with cloud-free high-resolution satellite imagery and find that the BST can be used to assess fine-scale SCA. For validation, we compared BST-derived estimates of SCA to a) airborne lidar surveys, b) Landsat fractional SCA, and c) snow disappearance dates from Snow Telemetry (SNOTEL) stations. When compared to airborne lidar surveys of SCA, the BST predicted SCA had a range of F-scores between 0.81 and 0.94 in four study areas in California and Colorado. We also found general agreement between SCA and snow disappearance at multiple SNOTEL sites across the western United States. Given the relatively recent availability of high-resolution satellite imagery with spectral measurements in the visible wavelengths but lacking in SWIR, the BST offers a reliable and easy-to-apply tool for examining fine-scale snow-related processes.

54 ENVIRONMENTAL SCIENCES↗

Experimental study of compaction localization in carbonate rock and constitutive modeling of mechanical anisotropy

Abstract Sedimentary rocks are inherently anisotropic and prone to strain localization. While the influence of rock anisotropy on the brittle/dilative regime has been studied extensively, its influence on the ductile/compactive regime is much less explored. This paper discusses the anisotropic behavior of a high‐porosity carbonate rock from central Europe (the Maastricht Tuffeau). A set of triaxial tests with concurrent x‐ray tomography has been performed at different confining pressures. The anisotropic characteristics of this rock have been investigated by testing samples cored at different inclinations of the bedding, thus revealing non‐negligible effects of the coring direction on yielding and compaction behavior. Specifically, samples cored perpendicular to bedding display higher strength and longer stages of post‐yielding deformation before manifesting re‐hardening. Despite such alterations of the inelastic response, Digital Image Correlation has revealed that the strain localization mode is independent of the coring direction, thus being primarily affected by the confinement level. To capture the observed interaction between material anisotropy and compaction behavior at the continuum‐scale, an elastoplastic constitutive law has been proposed. For this purpose, a set of tensorial bases has been introduced to replicate how the oriented rock fabric modulates the yielding and plastic flow characteristics of the material. The analyses show that the impact of the coring direction on yield function and plastic flow rule is fundamentally different, thus requiring the use of distinct projection strategies (a strategy here defined heterotopic mapping). The performance of the model, studied through parametric analyses and by calibrating the experimental results, illustrates the improved capability of the proposed constitutive approach when applied to strongly anisotropic porous rocks.

Shahin, Ghassan↗

Experimental Characterization of OpenMP Offloading Memory Operations and Unified Shared Memory Support

The OpenMP specification recently introduced support for unified shared memory, allowing implementation to leverage underlying system software to provide a simpler GPU offloading model where explicit mapping of variables is optional. Support for this feature is becoming more available in different OpenMP implementations on several hardware platforms. A deeper understanding of the different implementation’s execution profile and performance is crucial for applications as they consider the performance portability implications of adopting a unified memory offloading programming style. This work introduces a benchmark tool to characterize unified memory support in several OepnMP compilers and runtimes, with emphasis on identifying discrepancies between different OpenMP implementations as to how they various memory allocation strategies interact with unified shared memory. The benchmark tool is used to characterize OpenMP compilers on three leading High Performance Computing platforms supporting different CPU and device architectures. The benchmark tool is used to assess the impact of enabling unified shared memory on the performance of memory-bound code, highlighting implementation differences that should be accounted for when applications consider performance portability across platforms and compilers.

Elwasif, Wael↗

Renewable hydrogen horizon: Geospatial techno-economic feasibility and life cycle greenhouse gas analysis in the Middle East and North Africa

Renewable hydrogen is receiving increasing attention for its potential as a flexible energy carrier in sectors such as transportation and industry. Specific cost and carbon intensity (CI) of renewable hydrogen production vary largely based on the location, owing to differences in renewable energy resources, as well as the supply chain dynamics. This study maps the techno-economic and life cycle greenhouse gas emissions of renewable hydrogen production in the Middle East and North Africa region, leveraging abundant solar and wind resources. The work investigates the variability in hydrogen costs and CI, optimally sizing proton-exchange membrane (PEM) electrolyzers to account for partial and cyclic loading, and explores standalone versus grid-connected systems. PEM capacity ratios of 52 %–63 % for photovoltaic (PV) systems and 28 %–82 % for wind systems were identified as optimal, with hydrogen production costs ranging from $\$3.8$-$\$4.8$/kg for PV and $2.0-$7.0/kg for wind. CIs span from 1.9 to 3.7 kg CO 2 ,eq /kg H 2 for PV and 0.4–7.7 kg CO 2,eq /kg H 2 for wind systems. The study highlights significant cost and CI reductions achievable with technological advancements and co-product revenue from oxygen and excess electricity sales.

Carbon Intensity↗

Fractal analysis of Mo and Nb effects on grain boundary character and hot cracking behavior for Ni-Cr-Fe alloys

Highlights: • Cross section of the weld with lower RHGB fractal dimension exhibited higher DDC susceptibility than the surface section. • Mo and Nb addition induced tortuous GB character to increase fractal dimension and improve cracking resistance. • GROD maps indicated that the local strain increased within the grains close to RGBs till cracking. • At 1050 °C deformation recrystallized grains nucleated adjacent to DDC and blocked the crack propagation. - Abstract: In this paper, two filler metals of alloy 690 were evaluated on their hot cracking resistance based on the fractal analysis of random high-angle grain boundary (RHGB) morphologies. A grain reference orientation deviation (GROD) map based on EBSD technique was conducted to investigate the polycrystalline strain distribution on different RHGB network. It was found that for the 52M weld metal, specimen from the cross section with straight dendritic GBs exhibited lower fractal dimension, showing higher DDC susceptibility than the specimen from the surface section with higher fractal dimension due to equiaxed grains with tortuous GBs. With Mo and more Nb adding to the filler metal 52MSS, smaller grains nucleated and fractal dimension of the RHGB network increased, thus the cracking resistance was greatly improved. The GROD results revealed that local strain commonly concentrated around RHGB at high temperatures, especially near long and straight RHGB. The dense and tortuous RHGB network, resulting in the higher fractal dimension, could bear a more uniform strain distribution and balance the deformation between GB and grains, leading to better performance on cracking resistance. Moreover, dynamic recrystallized grains were observed beside GBs and their amount increases where there was cracking at 1050 °C, especially for the 52MSS. As a result, crack propagation path was blocked and fractal dimension increased as well.

36 MATERIALS SCIENCE↗

Photoionization and Photofragmentation Dynamics of I 2 in Intense Laser Fields: A Velocity-Map Imaging Study

The photoionization and photofragmentation dynamics of I 2 in intense femtosecond near-infrared laser fields were studied using velocity-map imaging of cations, electrons, and anions. A series of photofragmentation pathways originating from different cationic electronic states were observed following single ionization, leading to I + fragments with distinct kinetic energies, which could not be resolved in previous studies. Photoelectron spectra indicate that these high-lying dissociative states are primarily produced through nonresonant ionization from several molecular orbitals (MO) of the neutral. The photoelectron spectra also show clear signatures of resonant ionization pathways (Freeman resonances) to low-lying bound ionic states via Rydberg states of the neutral moiety. To investigate the role of these Rydberg states further, we imaged anionic products (I – ) formed through ion-pair dissociations of neutral molecules excited to these Rydberg states by the intense femtosecond laser pulse. Collectively, these results shed significant new light on the complex dynamics of I 2 molecules in intense laser fields and on the important role of neutral Rydberg states in a full description of strong-field phenomena in molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Local A-Site Phase Segregation Leads to Cs-Rich Regions Showing Accelerated Photodegradation in Mixed-Cation Perovskite Semiconductor Films

We use hyperspectral photoluminescence microscopy to study compositional heterogeneity and its influence on the stability of mixed-cation (formamindinium (FA) and cesium) FA 1-x Cs x Pb(I 0.9 Br 0.1 ) 3 lead halide perovskites with different Cs contents. We observe substantial microscale heterogeneity in the photoluminescence. By correlating photoluminescence maps with time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging, we show that the redder-photoluminescence regions of the perovskite film are associated with Cs-rich compositions. X-ray diffraction measurement and confocal Raman spectroscopy provide evidence for the presence of d-phase CsPbI x Br 3-x in these regions. Photo-aging tests show that these Cs-rich clusters undergo faster photoluminescence decay than the rest of the film. These observations highlight the importance of local heterogeneities and their influence on the stability of halide perovskite semiconductors being studied for optoelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mapping 1D Confined Electromagnetic Edge States in 2D Monolayer Semiconducting MoS 2 Using 4D-STEM

Here, four-dimensional (4D) scanning transmission electron microscopy is used to study the electric fields at the edges of 2D semiconducting monolayer MoS2. Sub-nanometer 1D features in the 2D electric field maps are observed at the outermost region along zigzag edges and also along nanowire MoS-terminated MoS 2 edges. Atomic-scale oscillations are detected in the magnitude of the 1D electromagnetic edge state, with spatial variations that depend on the specific periodic edge reconstructions. Electric field reconstructions, along with integrated differential phase contrast reconstructions, reveal the presence of low Z number atoms terminating many of the uniform edges, which are difficult to detect by annular dark field scanning transmission electron microscopy due to its limited dynamic range. Density functional theory calculations support the formation of periodic 1D edge states and also show that enhancement of the electric field magnitude can occur for some edge terminations. The experimentally observed electric fields at the edges are attributed to the absence of an opposing electric field from a nearest neighbor atom when the electron beam propagates through the 2D monolayer and interacts. These results show the potential of 4D-STEM to map the atomic scale structure and fluctuations of electric fields around edge atoms with different bonding states than bulk atoms in 2D materials, beyond conventional imaging.

2D materials↗

Comparison of Global Aboveground Biomass Estimates From Satellite Observations and Dynamic Global Vegetation Models

The global forest carbon stocks represent the amount of carbon stored in woody vegetation and are important for quantifying the ability of the global forests to sequester atmospheric CO 2 and to provide ecosystem services (e.g., timber) under climate change. The forest ecosystem carbon pool estimates are highly variable and poorly quantified in areas lacking forest inventory estimates. Here, we compare and analyze aboveground biomass (AGB) estimates from five satellite-based global data sets and nine dynamic global vegetation models (DVGMs). We find that across the data sets, mean AGB exhibits the largest variability around the tropical area. In addition, AGB shows a similar latitudinal trend but large variability among the data sets. Satellite-based AGB estimates are lower than those simulated by DVGMs. The divergence among the satellite-based AGB estimates can be driven by the methodology, input satellite products, and the forested areas used to estimate AGB. The modeled NPP, autotrophic respiration, and carbon allocation mostly drive the variability of AGB simulated by DGVMs. The future availability of a high-quality global forest area map is anticipated to improve AGB estimate accuracy and to reduce the discrepancies among different satellite- and model-based AGB estimates. Furthermore, we suggest the carbon-modeling community reexamine the methodology used to estimate AGB and forested areas for a more robust global forest carbon stock estimation.

54 ENVIRONMENTAL SCIENCES↗

Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate

Amorphous calcium carbonate is an important precursor for biomineralization in marine organisms. Key outstanding problems include understanding the structure of amorphous calcium carbonate and rationalizing its metastability as an amorphous phase. Here we report high-quality atomistic models of amorphous calcium carbonate generated using state-of-the-art interatomic potentials to help guide fits to X-ray total scattering data. Exploiting a recently developed inversion approach, we extract from these models the effective Ca∙∙∙Ca interaction potential governing the structure. This potential contains minima at two competing distances, corresponding to the two different ways that carbonate ions bridge Ca 2+ -ion pairs. We reveal an unexpected mapping to the Lennard-Jones–Gauss model normally studied in the context of computational soft matter. The empirical model parameters for amorphous calcium carbonate take values known to promote structural complexity. We thus show that both the complex structure and its resilience to crystallization are actually encoded in the geometrically frustrated effective interactions between Ca 2+ ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time-resolved imaging of bound and dissociating nuclear wave packets in strong-field ionized iodomethane

Here, we report the results of a time-resolved coincident ion momentum imaging experiment probing nuclear wave packet dynamics in the strong-field ionization and dissociation of iodomethane (CH 3 I), a prototypical polyatomic system for photochemistry and ultrafast laser science. By measuring yields, kinetic energies, and angular distributions of CH 3 + + I + and CH 3 + + I ++ ion pairs as a function of the delay between two 25 fs, 790 nm pump and probe pulses, we map both, bound and dissociating nuclear wave packets in intermediate cationic states, thereby tracking different ionization and dissociation pathways. In both channels, we find oscillatory features with a 130 fs periodicity resulting from vibrational motion (C–I symmetric stretch mode) in the first electronically excited state of CH 3 I + . This vibrational wave packet dephases within 1 ps, in good agreement with a simple wave packet propagation model. Our results indicate that the first excited cationic state plays a key role in the dissociative ionization of CH 3 I and that it represents an important intermediate in the sequential double and multiple ionization at moderate intensities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Strong and almost strong modes of Floquet spin chains in Krylov subspaces

Integrable Floquet spin chains are known to host strong zero and π modes which are boundary operators that respectively commute and anticommute with the Floquet unitary generating stroboscopic time evolution, in addition to anticommuting with a discrete symmetry of the Floquet unitary. Thus the existence of strong modes implies a characteristic pairing structure of the full spectrum. Weak interactions modify the strong modes to almost strong modes that almost commute or anticommute with the Floquet unitary. Manifestations of strong and almost strong modes are presented in two different Krylov subspaces. One is a Krylov subspace obtained from a Lanczos iteration that maps the time evolution generated by the Floquet Hamiltonian onto dynamics of a single particle on a fictitious chain with nearest-neighbor hopping. The second is a Krylov subspace obtained from the Arnoldi iteration that maps the time evolution generated directly by the Floquet unitary onto dynamics of a single particle on a fictitious chain with longer-range hopping. While the former Krylov subspace is sensitive to the branch of the logarithm of the Floquet unitary, the latter obtained from the Arnoldi scheme is not. In this work, the effective single-particle models in the Krylov subspace are discussed, and the topological properties of the Krylov chain that ensure stable zero and π modes at the boundaries are highlighted. The role of interactions is discussed. Expressions for the lifetime of the almost strong modes are derived in terms of the parameters of the Krylov subspace, and are compared with exact diagonalization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetic, charge, and bond order in the two-dimensional Su-Schrieffer-Heeger-Holstein model

Most nonperturbative numerical studies of electron-phonon interactions focus on model Hamiltonians where the electrons interact with a phonon branch via a single type of microscopic mechanism. Two commonly explored couplings in this context are the Holstein and Su-Schrieffer-Heeger (SSH) interactions, which describe phonons modulating the on-site energy and intersite electron hopping, respectively. Many materials, however, have multiple phonon branches that can each interact with electronic degrees of freedom in different ways. We present here a determinant quantum Monte Carlo study of the half-filled two-dimensional (bond) SSH-Holstein Hamiltonian, where electrons couple to different phonon branches via either the Holstein or SSH mechanism. As a result, we map the model's phase diagram and determine the nature of the transitions between charge-density wave, bond-order wave, and antiferromagnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantitative assessments of water-use efficiency in Temperate Eurasian Steppe along an aridity gradient

Water-use efficiency (WUE), defined as the ratio of net primary productivity (NPP) to evapotranspiration (ET), is an important indicator to represent the trade-off pattern between vegetation productivity and water consumption. Its dynamics under climate change are important to ecohydrology and ecosystem management, especially in the drylands. In this study, we modified and used a late version of Boreal Ecosystem Productivity Simulator (BEPS), to quantify the WUE in the typical dryland ecosystems, Temperate Eurasian Steppe (TES). The Aridity Index (AI) was used to specify the terrestrial water availability condition. The regional results showed that during the period of 1999–2008, the WUE has a clear decreasing trend in the spatial distribution from arid to humid areas. The highest annual average WUE was in dry and semi-humid sub-region (DSH) with 0.88 gC mm-1 and the lowest was in arid sub-region (AR) with 0.22 gC mm-1. A two-stage pattern of WUE was found in TES. That is, WUE would enhance with lower aridity stress, but decline under the humid environment. Over 65% of the region exhibited increasing WUE. This enhancement, however, could not indicate that the grasslands were getting better because the NPP even slightly decreased. It was mainly attributed to the reduction of ET over 70% of the region, which is closely related to the rainfall decrease. The results also suggested a similar negative spatial correlation between the WUE and the mean annual precipitation (MAP) at the driest and the most humid ends. This regional pattern reflected the different roles of water in regulating the terrestrial ecosystems under different aridity levels. This study could facilitate the understanding of the interactions between terrestrial carbon and water cycles, and thus contribute to a sustainable management of nature resources in the dryland ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Complete sequences of conjugal helper plasmids pRK2013 and pEVS104

We present the complete sequences of two commonly used conjugal helper plasmids: pRK2013 and pEVS104. These sequences will enable engineering of custom helper plasmids, for example, with different antibiotic markers or origins of replication. We provide both sequence information and plasmid maps to aid future engineering efforts.

59 BASIC BIOLOGICAL SCIENCES↗

Elucidating Photoinduced Processes of Photosystem I Via Multidimensional Electronic and Vibrational Spectroscopies

This project was motivated by an overarching goal to elucidate the mechanism of energy and electron transfer that governs the efficient charge separation in photosystem I (PSI) complexes. PSI is a natural light harvesting complex that drives oxygenic photosynthesis in plants, algae, and cyanobacteria. It uses ~300 tightly packed chlorophylls (Chls) to absorb photons, transfer the excitation energy to the reaction center (RC), and generate a charge separated state with near unity quantum efficiency (QE). A better understanding of the mechanism of energy transfer and charge separation in PSI is required for understanding the high QE of natural light harvesting complexes, and it could lead to the further development of artificial photosynthetic systems for solar energy conversion and modification of light harvesting complexes to improve crop yields. We applied two-dimensional optical spectroscopies to different cyanobacterial photosystem I complexes, including PSI complexes that contain Chl f molecules, to map energy transfer pathways and gain insight into the efficient light harvesting of PSI. We used two-dimensional electronic spectroscopies (2DES) to map energy transfer in Chl a and Chl f containing PSI complexes. To investigate the Chl f PSI complexes, we modified our spectrometer to probe the lower energy states associated with Chl f molecules. We interpreted the 2DES spectra through global analysis procedures to generate maps of energy transfer. We also constructed a two-dimensional electronic vibrational (2DEV) spectrometer that will be used to investigate charge transfer transitions and dynamics within PSI complexes. Measurements were performed on model systems to establish general data analysis procedures for interpreting 2D spectra and gain insight into protein cofactor interactions.

14 SOLAR ENERGY↗