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At least 1,441 records · Page 80

Examination of the Capabilities of Metalorganic Vapor-Phase Epitaxy in Fabrication of Thin InAs/GaSb Layers

The capabilities of metalorganic vapor-phase epitaxy (MOVPE) in fabrication of structures with thin (1–2 nm) alternating InAs/GaSb layers on a GaSb substrate are studied. The characteristics of these structures were examined using transmission electron microscopy and methods of photo- and electroluminescence. It was found that two GaInAsSb solid solutions of different compositions were formed in the active regions of structures in the given growth conditions. The fabricated system was characterized by an emission wavelength of 4.96 μm at a temperature of 77 K. The results reveal new opportunities for bandgap engineering of semiconductor structures based on InAs/GaSb, which are designed for optoelectronic devices operating in the infrared range, provided by MOVPE.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Secure Design and Development Cybersecurity Capability Maturity Model (SD2-C2M2): Next-Generation Cyber Resilience by Design

The Secure Design and Development Cybersecurity Capability Maturity Model (SD2-C2M2) provides a browser-based tool that allows hardware and software developers to assess the maturity level of their design and development processes, allows management to determine desired maturity levels in seven domains, and allows developers to monitor process maturity improvements against management goals. The tool can be used by commercial developers as well as internal development organizations. This paper provides an overview of the tool and domains and presents a hypothetical case study of the tool to reduce software buffer overflow attack vulnerabilities by improving the software development process.

Gourisetti, Sri Nikhil G.↗

New Time Integrators and Capabilities in SUNDIALS Versions 6.2.0-7.4.0

SUNDIALS is a well-established numerical library that provides robust and efficient time integrators and nonlinear solvers. This article overviews several significant improvements and new features added over the last 3 years to support scientific simulations run on high-performance computing systems. Notably, three new classes of one-step methods have been implemented: low storage Runge–Kutta, symplectic partitioned Runge–Kutta, and operator splitting. In addition, we describe new timestep adaptivity support for multirate methods, adjoint sensitivity analysis capabilities for explicit Runge–Kutta methods, additional options for Anderson acceleration in nonlinear solvers, and improved error handling and logging.

Computer science↗

Carbon-Binder Weight Loading Optimization for Improved Lithium-Ion Battery Rate Capability

Battery performance is strongly correlated with electrode microstructure and weight loading of the electrode components. Among them are the carbon-black and binder additives that enhance effective conductivity and provide mechanical integrity. However, these both reduce effective ionic transport in the electrolyte phase and reduce energy density. Therefore, an optimal additive loading is required to maximize performance, especially for fast charging where ionic transport is essential. Such optimization analysis is however challenging due to the nanoscale imaging limitations that prevent characterizing this additive phase and thus quantifying its impact on performance. Herein, an additive-phase generation algorithm has been developed to remedy this limitation and identify percolation threshold used to define a minimal additive loading. Improved ionic transport coefficients from reducing additive loading has been then quantified through homogenization calculation, macroscale model fitting, and experimental symmetric cell measurement, with good agreement between the methods. Rate capability test demonstrates capacity improvement at fast charge at the beginning of life, from 37% to 55%, respectively for high and low additive loading during 6C CC charging, in agreement with macroscale model, and attributed to a combination of lower cathode impedance, reduced electrode tortuosity and cathode thickness.

25 ENERGY STORAGE↗

Secure Design and Development Cyber Security Capability Maturity Model” (SD2-CM2)

The "Secure Design and Development Cyber Security Capability Maturity Model" (SD2-CM2) allows electrical system managers to assess the maturity of their cybersecurity systems, including designs reflecting internet of things devices (IOT). The content provides best practices in the field and users can assess the level of their designs. Modules are "Content" and "Infrastructure"

Gourisetti, Sri Nikhil Gupta↗

ARMing the Edge: Designing Edge Computing–Capable Machine Learning Algorithms to Target ARM Doppler Lidar Processing

Abstract There is a need for long-term observations of cloud and precipitation fall speeds in validating and improving rainfall forecasts from climate models. To this end, the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility Southern Great Plains (SGP) site at Lamont, Oklahoma, hosts five ARM Doppler lidars that can measure cloud and aerosol properties. In particular, the ARM Doppler lidars record Doppler spectra that contain information about the fall speeds of cloud and precipitation particles. However, due to bandwidth and storage constraints, the Doppler spectra are not routinely stored. This calls for the automation of cloud and rain detection in ARM Doppler lidar data so that the spectral data in clouds can be selectively saved and further analyzed. During the ARMing the Edge field experiment, a Waggle node capable of performing machine learning applications in situ was deployed at the ARM SGP site for this purpose. In this paper, we develop and test four algorithms for the Waggle node to automatically classify ARM Doppler lidar data. We demonstrate that supervised learning using a ResNet50-based classifier will classify 97.6% of the clear-air images and 94.7% of cloudy images correctly, outperforming traditional peak detection methods. We also show that a convolutional autoencoder paired with k -means clustering identifies 10 clusters in the ARM Doppler lidar data. Three clusters correspond to mostly clear conditions with scattered high clouds, and seven others correspond to cloudy conditions with varying cloud-base heights.

54 ENVIRONMENTAL SCIENCES↗

The Earth System Prediction Suite: Toward a Coordinated U.S. Modeling Capability

The Earth System Prediction Suite (ESPS) is a collection of flagship U.S. weather and climate models and model components that are being instrumented to conform to interoperability conventions, documented to follow metadata standards, and made available either under open-source terms or to credentialed users. Furthermore, the ESPS represents a culmination of efforts to create a common Earth system model architecture, and the advent of increasingly coordinated model development activities in the United States. ESPS component interfaces are based on the Earth System Modeling Framework (ESMF), community-developed software for building and coupling models, and the National Unified Operational Prediction Capability (NUOPC) Layer, a set of ESMF-based component templates and interoperability conventions. Our shared infrastructure simplifies the process of model coupling by guaranteeing that components conform to a set of technical and semantic behaviors. The ESPS encourages distributed, multiagency development of coupled modeling systems; controlled experimentation and testing; and exploration of novel model configurations, such as those motivated by research involving managed and interactive ensembles. ESPS codes include the Navy Global Environmental Model (NAVGEM), the Hybrid Coordinate Ocean Model (HYCOM), and the Coupled Ocean–Atmosphere Mesoscale Prediction System (COAMPS); the NOAA Environmental Modeling System (NEMS) and the Modular Ocean Model (MOM); the Community Earth System Model (CESM); and the NASA ModelE climate model and the Goddard Earth Observing System Model, version 5 (GEOS-5), atmospheric general circulation model.

54 ENVIRONMENTAL SCIENCES↗

A Bird’s Eye View: Development of an Operational ARM Unmanned Aerial Capability for Atmospheric Research in Arctic Alaska

Here, we present that unmanned aerial capabilities offer exciting new perspectives on the Arctic atmosphere and the US Department of Energy is working with partners to offer such perspectives to the research community. Thorough understanding of aerosols, clouds, boundary layer structure and radiation is required to improve representation of the Arctic atmosphere in weather forecasting and climate models. To develop such understanding, new perspectives are needed to provide details on the vertical structure and spatial variability of key atmospheric properties, along with information over difficult-to-reach surfaces such as newly-forming sea ice. Over the last three years, the US Department of Energy (DOE) has supported various flight campaigns using unmanned aircraft systems (UAS, also known as UAVs and drones) and tethered balloon systems (TBS) at Oliktok Point, Alaska. These activities have featured in-situ measurements of thermodynamic state, turbulence, radiation, aerosol properties, cloud microphysics and turbulent fluxes to provide a detailed characterization of the lower atmosphere. Alongside a suite of active and passive ground-based sensors and radiosondes deployed by the DOE Atmospheric Radiation Measurement (ARM) program through the third ARM Mobile Facility (AMF-3), these flight activities demonstrate the ability of such platforms to provide critically-needed information. In addition to providing new and unique datasets, lessons learned during initial campaigns have assisted toward the development of an exciting new community resource.

54 ENVIRONMENTAL SCIENCES↗

Bridging New Observational Capabilities and Process-Level Simulation: Insights into Aerosol Roles in the Earth System

The spatial distribution of ambient aerosol particles significantly impacts aerosol–radiation–cloud interactions, which contribute to the largest uncertainty in global anthropogenic radiative forcing estimations. However, the atmospheric boundary layer and lower free troposphere have not been adequately sampled in terms of spatiotemporal resolution, hindering a comprehensive characterization of various atmospheric processes and impeding our understanding of the Earth system. To address this research data gap, we have leveraged the development of uncrewed aerial systems (UAS) and advanced measurement techniques to obtain mesoscale spatial data on aerosol microphysical and optical properties around the U.S. Southern Great Plains (SGP) atmospheric observatory. Our study also benefits from state-of-the-art laboratory facilities that include three-dimensional molecular imaging techniques enabled by secondary ion mass spectrometry and nanogram-level chemical composition analysis via micronebulization aerosol mass spectrometry. Through our study, we have developed a framework for observation–modeling integration, enabling an examination of how various assumptions about the organic–inorganic components mixing state, inferred from chemical analysis, affect clouds and radiation in observation-constrained model simulations. By integrating observational constraints (derived from offline chemical analysis of the aerosol surface using collected samples) with in situ UAS observations, we have identified a prominent role of organic-enriched nanometer layers located at the surface of aerosol particles in determining profiles of aerosol optical and hygroscopic properties over the SGP observatory. Furthermore, we have improved the agreement between predicted clouds and ground-based cloud lidar measurements. This UAS–model–laboratory integration exemplifies how these new advanced capabilities can significantly enhance our understanding of aerosol–radiation–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

Metabolic capability and in situ activity of microorganisms in an oil reservoir

Background: Microorganisms have long been associated with oxic and anoxic degradation of hydrocarbons in oil reservoirs and oil production facilities. While we can readily determine the abundance of microorganisms in the reservoir and study their activity in the laboratory, it has been challenging to resolve what microbes are actively participating in crude oil degradation in situ and to gain insight into what metabolic pathways they deploy. Results: Here, we describe the metabolic potential and in situ activity of microbial communities obtained from the Jiangsu Oil Reservoir (China) by an integrated metagenomics and metatranscriptomics approach. Almost complete genome sequences obtained by differential binning highlight the distinct capability of different community members to degrade hydrocarbons under oxic or anoxic condition. Transcriptomic data delineate active members of the community and give insights that Acinetobacter species completely oxidize alkanes into carbon dioxide with the involvement of oxygen, and Archaeoglobus species mainly ferment alkanes to generate acetate which could be consumed by Methanosaeta species. Furthermore, nutritional requirements based on amino acid and vitamin auxotrophies suggest a complex network of interactions and dependencies among active community members that go beyond classical syntrophic exchanges; this network defines community composition and microbial ecology in oil reservoirs undergoing secondary recovery. Conclusion: Our data expand current knowledge of the metabolic potential and role in hydrocarbon metabolism of individual members of thermophilic microbial communities from an oil reservoir. The study also reveals potential metabolic exchanges based on vitamin and amino acid auxotrophies indicating the presence of complex network of interactions between microbial taxa within the community.

59 BASIC BIOLOGICAL SCIENCES↗

Partial genome sequence of Thioalkalivibrio thiocyanodenitrificans ARhD 1 T , a chemolithoautotrophic haloalkaliphilic sulfur-oxidizing bacterium capable of complete denitrification

Thioalkalivibrio thiocyanodenitrificans strain ARhD 1 T is a motile, Gram-negative bacterium isolated from soda lakes that belongs to the Gammaproteobacteria . It derives energy for growth and carbon fixation from the oxidation of sulfur compounds, most notably thiocyanate, and so is a chemolithoautotroph. It is capable of complete denitrification under anaerobic conditions. In addition, the draft genome sequence consists of 3,746,647 bp in 3 scaffolds, containing 3558 protein-coding and 121 RNA genes. T. thiocyanodenitrificans ARhD 1 T was sequenced as part of the DOE Joint Genome Institute Community Science Program.

59 BASIC BIOLOGICAL SCIENCES↗

Injection laser system for Advanced Radiographic Capability using chirped pulse amplification on the National Ignition Facility

We report on the design, performance, and qualification of the injection laser system designed to deliver joule-level chirped pulse beamlets arranged in dual rectangular beam formats into two main laser amplifier beamlines of the National Ignition Facility. The system is designed to meet the requirements of the Advanced Radiographic Capability upgrade with features that deliver performance, adjustability, and long-term reliability.

47 OTHER INSTRUMENTATION↗

Dissecting the Functional Role of Key Residues in Triheme Cytochrome PpcA: A Path to Rational Design of G. sulfurreducens Strains with Enhanced Electron Transfer Capabilities

PpcA is the most abundant member of a family of five triheme cytochromes c7 in the bacterium Geobacter sulfurreducens (Gs) and is the most likely carrier of electrons destined for outer surface during respiration on solid metal oxides, a process that requires extracellular electron transfer. This cytochrome has the highest content of lysine residues (24%) among the family, and it was suggested to be involved in e2/H+ energy transduction processes. In the present work, we investigated the functional role of lysine residues strategically located in the vicinity of each heme group. Each lysine was replaced by glutamine or glutamic acid to evaluate the effects of a neutral or negatively charged residue in each position. The results showed that replacing Lys9 (located near heme IV), Lys18 (near heme I) or Lys22 (between hemes I and III) has essentially no effect on the redox properties of the heme groups and are probably involved in redox partner recognition. On the other hand, Lys43 (near heme IV), Lys52 (between hemes III and IV) and Lys60 (near heme III) are crucial in the regulation of the functional mechanism of PpcA, namely in the selection of microstates that allow the protein to establish preferential e2/H+ transfer pathways. The results showed that the preferred e2/H+ transfer pathways are only established when heme III is the last heme to oxidize, a feature reinforced by a higher difference between its reduction potential and that of its predecessor in the order of oxidation. We also showed that K43 and K52 mutants keep the mechanistic features of PpcA by establishing preferential e2/H+ transfer pathways at lower reduction potential values than the wild-type protein, a property that can enable rational design of Gs strains with optimized extracellular electron transfer capabilities.

59 BASIC BIOLOGICAL SCIENCES↗

Bacteria isolated from the grape phyllosphere capable of degrading guaiacol, a main volatile phenol associated with smoke taint in wine

Recent wildfires near vineyards in the Pacific United States have caused devastating financial losses due to smoke taint in wine. When wine grapes (Vitis vinifera) are exposed to wildfire smoke, their berries absorb volatile phenols derived from the lignin of burning plant material. Volatile phenols are released during the winemaking process giving the finished wine an unpleasant, smokey, and ashy taste known as smoke taint. Bacteria are capable of undergoing a wide variety of metabolic processes and therefore present great potential for bioremediation applications in many industries. In this study, we identify two strains of the same species that colonize the grape phyllosphere and are able to degrade guaiacol, a main volatile phenol responsible for smoke taint in wine. We identify the suite of genes that enable guaiacol degradation in Gordonia alkanivorans via RNAseq of cells growing on guaiacol as a sole carbon source. Additionally, we knockout guaA, a cytochrome P450 gene involved in the conversion of guaiacol to catechol; ΔguaA cells cannot catabolize guaiacol in vitro, providing evidence that GuaA is necessary for this process. Furthermore, we analyze the microbiome of berries and leaves exposed to smoke in the vineyard to investigate the impact of smoke on the grape microbial community. We found smoke has a significant but small effect on the microbial community, leading to an enrichment of several genera belonging to the Bacilli class. Collectively, this research shows that studying microbes and their enzymes has the potential to identify novel tools for alleviating smoke taint.

Castro, Claudia [United States Department of Agric↗

Phonon-polaritonics: enabling powerful capabilities for infrared photonics

Abstract Here, we review the progress and most recent advances in phonon-polaritonics, an emerging and growing field that has brought about a range of powerful possibilities for mid- to far-infrared (IR) light. These extraordinary capabilities are enabled by the resonant coupling between the impinging light and the vibrations of the material lattice, known as phonon-polaritons (PhPs). These PhPs yield a characteristic optical response in certain materials, occurring within an IR spectral window known as the reststrahlen band. In particular, these materials transition in the reststrahlen band from a high-refractive-index behavior, to a near-perfect metal behavior, to a plasmonic behavior – typical of metals at optical frequencies. When anisotropic they may also possess unconventional photonic constitutive properties thought of as possible only with metamaterials. The recent surge in two-dimensional (2D) material research has also enabled PhP responses with atomically-thin materials. Such vast and extraordinary photonic responses can be utilized for a plethora of unusual effects for IR light. Examples include sub-diffraction surface wave guiding, artificial magnetism, exotic photonic dispersions, thermal emission enhancement, perfect absorption and enhanced near-field heat transfer. Finally, we discuss the tremendous potential impact of these IR functionalities for the advancement of IR sources and sensors, as well as for thermal management and THz-diagnostic imaging.

Foteinopoulou, Stavroula (ORCID:0000000344055209)↗

Chemistry data from soils and soil incubation experiments from the whole-soil warming experiment at Blodgett Forest, CA, 2018, from: “Metabolic capabilities mute positive response to direct and indirect impacts of warming throughout the soil profile”

This dataset contains soil chemistry data of soils from the whole-soil warming experiment at Blodgett Forest in June 2018, and from laboratory incubation experiments conducted with a subset of those soils. Soil samples were collected at five different depths down to 80 cm from soil plots continuously heated by 4°C above ambient temperature for 4.5 years, and from the respective unheated control plots. Incubation experiments were conducted for 28 days with soils collected between 10-30 cm (“surface soils”) and 60-80 cm (“subsoils”) from heated and unheated field plots, amended in the laboratory with cellobiose (C, carbon amendment), or cellobiose plus ammonium and phosphate (CNP, combined carbon, nitrogen and phosphorus amendment). The dataset includes separate files for: (i) total carbon and nitrogen concentrations of initial field soils; (ii) carbon dioxide efflux rates at multiple times throughout the incubation experiments, and respective cumulative carbon dioxide efflux rates, as well as inorganic nitrogen concentrations at the beginning and end of the incubations, and net nitrogen mineralization rates and carbon use efficiency calculated at the end of the incubation. Analysis of these data has been published in Dove et al., (2021), “Metabolic capabilities mute positive response to direct and indirect impacts of warming throughout the soil profile. Nat. Commun. 12:2089”, https://doi.org/10.1038/s41467-021-22408-5. This research was performed as part of the TES Belowground Biogeochemistry SFA project at Lawrence Berkeley National Laboratory.

54 ENVIRONMENTAL SCIENCES↗

Assessing the Predictive Capability of the LIFEIV Nuclear Fuel Performance Code Using Sequential Calibration

This report considers the problem of calibrating a numerical model to data from an experimental campaign (or series of experimental tests). The issue is that when an experimental campaign is proposed, only the input parameters associated with each experiment are known (i.e. outputs are not known because the experiments have yet to be conducted). Faced with such a situation, it would be beneficial from the standpoint of resource management to carefully consider the sequence in which the experiments are conducted. In this way, the resources available for experimental tests may be allocated in a way that best 'informs' the calibration of the numerical model. To address this concern, the authors propose decomposing the input design space of the experimental campaign into its principal components. Subsequently, the utility (to be explained) of each experimental test to the principal components of the input design space is used to formulate the sequence in which the experimental tests will be used for model calibration purposes. The results reported herein build on those presented and discussed in [1,2] wherein Verification & Validation and Uncertainty Quantification (VU) capabilities were applied to the nuclear fuel performance code LIFEIV. In addition to the raw results from the sequential calibration studies derived from the above, a description of the data within the context of the Predictive Maturity Index (PMI) will also be provided. The PMI [3,4] is a metric initiated and developed at Los Alamos National Laboratory to quantitatively describe the ability of a numerical model to make predictions in the absence of experimental data, where it is noted that 'predictions in the absence of experimental data' is not synonymous with extrapolation. This simply reflects the fact that resources do not exist such that each and every execution of the numerical model can be compared against experimental data. If such resources existed, the justification for numerical models would be reduced considerably. The authors note that the PMI is primarily intended to provide a high-level, quantitative description of year-to-year (or version-to-version) improvements in numerical models, where these descriptions can be used as a means of justifying funding requests to support further model development research. It is in this context that the present report should be considered: the availability of data from experimental tests should be viewed as a time-dependent variable, where experiments are added to the calibration suite as resources become available. For the present report, the experimental data is of course already available (permitting demonstration of the proposed methodology). Furthermore, the authors are not proposing this methodology as the answer to the question of how to allocate resources for experimental tests, and readers are directed to [5] and the references contained in Section 1 of [5] for additional information on the subject. However, the strength of this methodology is that it offers a means by which to select the sequence of experiments in a pre-arranged experimental campaign (a situation for which the methods discussed in [5] are less appropriate). The report is organized as follows. Section 2 describes the methodology employed to formulate the sequences of experiments for the calibrations performed for this study. Section 3 then presents the results associated with two sequences; supplementary results are provided in the Appendix. The report then concludes in Section 4 with a brief summary.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗