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At least 1,495 records · Page 83

Unveiling X-ray absorption signatures of boron nitride via first-principles simulation and machine learning

Boron nitride (BN) allotropes hold great promise in many advanced applications ranging from optical and photonic devices to energy storage and battery systems to tribological components. The diverse functionalities of this material stem from BN’s highly tunable structural and electronic properties, which are governed by the versatile boron–nitrogen bonding configurations. Exploring the structural landscape of BN can unveil novel structures possessing unique properties suited for specific applications, therefore accelerating the design of next-generation advanced functional materials. In this work, we leverage boron K-edge X-ray absorption spectroscopy (XAS) as an effective probe for local structural features and chemical environments. A total of 210 BN crystal structures are generated via analogies to the extensive array of carbon allotropes, and XAS is simulated for each unique local motif within the resulting collection of structures. A mapping between structural features and spectral signatures was established by synergizing first-principle simulations with data-driven based post-analysis approaches. Specifically, we developed a neural network model that can satisfactorily predict spectra line shapes from local structural descriptors. Toward automatic spectroscopic interpretation of any new BN structures, supervised machine learning models, trained on this structure–spectrum dataset, can accurately infer local coordination environments from simulated XAS, highlighting the strength of this unique approach of combining high-fidelity first-principles simulation and machine-learning to accelerate target design of novel BN materials via rational understanding of local structure-spectrum correlations.

36 MATERIALS SCIENCE↗

Distributed optimization for multi-commodity urban traffic control

A distributed method for concurrent traffic signal and routing control of traffic networks is proposed. The method is based on the multi-commodity store-and-forward model, in which the destinations are the commodities. The system benefits from the communication between vehicles and infrastructure, providing optimal signal timings to intersections and routes to vehicles on a link-by-link basis. Using the augmented Lagrangian to model the constraints into the objective, the baseline centralized problem is decomposed into a set of objective-coupled subproblems, one for each intersection, enabling the solution to be computed by a distributed- gradient projection algorithm. Further, the intersection agents only need to communicate and coordinate with neighboring intersections to ensure convergence to the optimal solution while tolerating suboptimal iterations that offer more flexibility, unlike other distributed approaches. Through microsimulation, we demonstrate the effectiveness of the proposed algorithm in traffic networks with time-varying demand. Computational analysis shows that the distributed problem is suitable for real-time applications. A robustness analysis show that the distributed formulation enables a graceful degradation of the system in case of failure.

Augmented Lagrangian↗

Microbial Communities Associated with Methylmercury Degradation in Paddy Soils

Bioaccumulation of the neurotoxin methylmercury (MeHg) in rice has raised worldwide concerns because of its risks to human health. Certain microorganisms are able to degrade MeHg in pure cultures, but the roles and diversities of the microbial communities in MeHg degradation in rice paddy soils are unknown. Using a series of microcosms, we investigated MeHg degradation in paddy soils from Hunan, Guizhou, and Hubei provinces, representing three major rice production regions in China, and further characterized one of the soils from the Hunan Province for microbial communities associated with MeHg degradation. Microbial demethylation was observed in all three soils, demonstrated by significantly more MeHg degraded in the unsterilized soils than in the sterilized controls. More demethylation occurred in water-saturated soils than in unsaturated soils, but the addition of molybdate and bromoethanesulfonic acid as the respective inhibitors of sulfate reducing bacteria and methanogens showed insignificant effects on MeHg degradation. However, the addition of Cu enhanced MeHg degradation and the enrichment of Xanthomonadaceae in the unsaturated soil. 16S rRNA Illumina sequencing and metatranscriptomic analyses of the Hunan soil consistently revealed that Catenulisporaceae, Frankiaceae, Mycobacteriaceae, and Thermomonosporaceae were among the most likely microbial taxa in influencing MeHg degradation in the paddy soil, and they were confirmed by combined analyses of the co-occurrence network, random forest modeling, and linear discriminant analysis of the effect size. Furthermore, our results shed additional light onto the roles of microbial communities in MeHg degradation in paddy soils and its subsequent bioaccumulation in rice grains.

59 BASIC BIOLOGICAL SCIENCES↗

Cybersecurity Assessment in DER-rich Distribution Operations: Criticality Levels and Impact Analysis

The integration of distributed energy resources (DERs) in distribution networks has become a pivotal strategy for achieving decarbonization, enhancing grid resilience, and optimizing grid efficiency. Remote monitoring and control op- erations of such resources rely on a network of sensors and communication infrastructure, exposing the system to potential cyber threats. Therefore, as the deployment of DERs increases, ensuring secure monitoring and control becomes an imperative challenge. This paper utilizes real-time feeder models, which are instrumental in developing cybersecurity testbeds tailored for hardware-in-loop (HIL) systems. These models enable users to simulate cyber attacks in a real-world environment and analyze the power distribution operations during vulnerabilities. Furthermore, we discuss several practical sets of grid parameters to identify critical levels of DERs and evaluate various scenarios that simulate cyber threats on sensitive DERs. The modified IEEE 123-bus model is used as the test case for demonstrating the proposed scenarios. The findings from this study provide valuable insights into the vulnerabilities and potential consequences of cyber attacks on DERs, allowing for better mitigation strategies and improved cyber resilience in future distribution networks.

Maharjan, Manisha↗

Enabling Fairness in Distributed PV Curtailment for Voltage Regulation: A Comparative Analysis

The growing adoption of photovoltaic systems in power distribution networks has yielded numerous advantages, but it has also introduced challenges, particularly in managing overvoltage issues. Uncoordinated photovoltaic integration can lead to voltage rise beyond acceptable levels. Curtailing active power is an effective method for addressing overvoltage issues in power distribution systems. Nevertheless, it is essential to distribute the curtailment fairly among the resources to maintain fairness and achieve a well-balanced utilization of renewable energy. This paper presents a comparative study of different fairness schemes for active power curtailment in photovoltaic integration systems. Three different curtailment methods are selected for demonstration: i) proportional, ii) egalitarian, and iii) financial. The study involves evaluating the curtailment schemes based on their ability to distribute the curtailed power among the photovoltaic systems in a justifiable manner, focusing on their formulation and distributed solution. A detailed performance comparison is carried out to highlight the cost of catering for fairness schemes in photovoltaic curtailment using relevant metrics, where simulations are carried out using a modified IEEE 123-bus test case.

Mukherjee, Monish↗

Reduced-Order Models of Static Power Grids based on Spectral Clustering

For large-scale interconnected power systems that cover large geographical areas, certain electrical studies are required so that appropriate decisions ensure system reliability and low cost. For such studies, it is often neither practical nor necessary to model in detail the entire power system, which is increasingly complex due to a more diverse range of grid assets to choose from in both short and long-term planning. The goal of this paper is to present a methodology to reduce the order of large-scale power networks based on spectral graph theory given that current methods for static network reduction are not scalable. A brief analysis of some spectral clustering properties to determine which graph Laplacian matrix should be used and why is included. The analysis shows that the utilization of the normalized graph Laplacian is more advantageous for clustering purposes. Techniques are proposed to approximate cost functions for the aggregated generators. This is done via linear regression. The reduced-order model obtained with the proposed methodology has an accuracy above 94% and solves the scalability issue commonly present in other reduction methods. If the utilization of the reduced-order model is either constrained to load levels above mid-peak demand, or cost functions of aggregated units are approximated via a piecewise quadratic approach, then the error distribution is in the order of 10^-3. .

Baquedano-Aguilar, Mario D.↗

Groundwater and Surface Water Flow (GSFLOW) model files to explore bedrock circulation depth and porosity in Copper Creek, Colorado

This data package contains integrated hydrological model input and output files for Copper Creek, Colorado (24 km2), a tributary of the East River located in the headwaters of the Upper Colorado River Basin. The model code is the U.S. Geological Survey (USGS) Groundwater and Surface Water Flow (GSFLOW) model. The model contains a 100-m grid resolution and a daily timestep. The land surface model is dynamically linked to a three-dimensional groundwater flow model that allows for streamflow gaining and losing conditions. The groundwater model contains 12 model layers and extends 400 m below land surface. The original Copper Creek model was modified to contain geologic layers representing saprolite, shallow bedrock, and deep bedrock. Endmember depth versus hydraulic conductivity relationships and porosity values for fractured crystalline rock are simulated. For the shallow case, median flow depths occur in the shallow saprolite at depths <8 m, while the deep case promotes a median groundwater flow depth of 100 m. With this modeling framework we compare streamflow response to a plausible worst-case drought lasting up to five years. Streamflow metrics of analysis include average streamflow, fraction of stream network that is dry, no-flow duration, average groundwater flow to streams and time to recovery following the drought. Results and implications are presented in a paper submitted to Geophysical Research Letters titled, "The role of bedrock circulation depth and porosity in mountain streamflow response to prolonged drought" by Rosemary WH. Carroll, Andrew H. Manning and Kenneth H Williams. A Readme.txt file provides instructions on how to download all model files and execute each model scenario. In addition to the GSFLOW output/prms/copper_drought.csv file containing daily basin water stores and fluxes (refer to GSFLOW manual) and the output/prms/copper_drought_statvar.dat file with output defined in the gsflow3.control file (refer to GSFLOW Manual), output files also include spatially distributed daily values of total evapotranspiration, canopy evaporation, precipitation, snowfall, infiltration, snow water equivalent, potential evapotranspiration, recharge, sublimation, soil moisture, contributing interflow, water table elevations, changes in groundwater storage, groundwater evapotranspiration, interbasin groundwater flow (limited to the alluvium below the stream outlet), and surface-groundwater exchanges within the river system.

54 ENVIRONMENTAL SCIENCES↗

FORCE-DISPATCHES Integration - Initial Demonstration

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to improve economic viability under uncertain market and weather conditions. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Continuous efforts and investments from the IES programs have been made to expand and improve the versatility of the FORCE toolset in fiscal year 2022. Code-coupling and cross-tool communication have been important methods for improving this versatility. This report focuses on an additional workflow in the HERON tool for capacity and dispatch stochastic optimization through integration with the external tool Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES). DISPATCHES was primarily developed by the National Energy Technology Laboratory, in collaboration with other national laboratories, which included INL, universities, and industry partners. It is coupled to a library of algebraic models for specific plant components, and to a framework for stochastic optimization different from that provided in the current Risk Analysis Virtual Environment (RAVEN)-running-RAVEN algorithm in HERON. HERON currently conducts stochastic optimization via an outer-inner loop: it optimizes over variable capacity on the outer loop, and at each step within the capacity parameter space, conducts an inner optimization over scenarios (of market signals, demand, and/or weather patterns) and hourly dispatch throughout a user-specified number of years. On the other hand, DISPATCHES conducts stochastic optimization via an “all-at-once” strategy in which capacity variables are optimized at the same level as dispatch variables, as all scenarios are considered at once. The latter method works especially well for projects of limited size and project length, as the necessary computational power and memory increases with the number of variables and scenarios. The new capability to use the DISPATCHES workflow in HERON enhances standalone simulations by leveraging FORCE tools—namely, the economic metrics from the Tool for Economic Analysis (TEAL) and reduced-order model (ROM) sampling from RAVEN. The initial demonstration of the DISPATCHES workflow simulates an existing nuclear-case flowsheet within the DISPATCHES repository—this models a NPP with a secondary revenue stream for hydrogen production. Electrical output from the plant is converted to hydrogen via a proton-exchange membrane (PEM) electrolyzer, hydrogen tanks are used for storage, and an additional turbine is added for hydrogen combustion. Continued work regarding this FORCE-DISPATCHES integration will include automatic generation of DISPATCHES models from HERON inputs, offering analysts the option of using either the RAVEN-runsRAVEN or DISPATCHES workflow to solve technoeconomic optimization problems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A high performance line regulator

The present work describes the design of a 10-kHz, 500-W switching buck type regulator used as a line regulator in a power conditioner for an ion thruster. The frequency response of the switching regulator had to be raised beyond the resonant frequency of the output LC filter to produce a positive total network impedance and prevent negative resistance oscillation. Analysis of this stability problem is given.

Cardwell, G. I.↗

Investigation of mesoscale pre-convective forcing mechanisms

The installation and testing of a numerical mesoscale boundary layer model is discussed. A data analysis is first made using the rawinsonde network which shows a strong baroclinic zone developing in the region where convection was initiated. The observed wind field shows an easterly component developing in opposition to the synoptic flow producing convergence. The numerical boundary layer model is used to diagnose the physical development of the thermal and flow fields. Two physical mechanisms are examined; topography and cloud shading. The results shows that while heated sloping topography alone does create a baroclinic zone and convergence values, cloud shading is a stronger mechanism for producing a thermal field representative of observed conditions

Mcnider, R. T.↗

A new multiple beam satellite antenna for 30/20 GHz communications coverage of CONUS-experimental evaluation

Additional frequency bands are needed to satisfy requirements related to the rapid growth of satellite communications, and the utilization of the 30/20 GHz frequencies is being considered. The present investigation is concerned with the experimental verification phase of an antenna technology study sponsored by NASA. The feasibility of narrow (0.3 degree) directive beam scanning over the entire continental U.S. (CONUS) from a single antenna at 30/20 GHz is demonstrated. The POC (Proof-of-Concept) model is based on an employment of an offset shaped dual reflector optics. The main reflector and the subreflector are both fabricated from aluminum. Attention is given to feed array and beam-forming network, multiple beam antenna range tests, an analysis, and test results.

Smoll, A. E.↗

NASA's Pilot Land Data System development program

The NASA Pilot Land Data System (PLDS) project is intended to enhance the effectiveness of data processing capabilities used by researchers applying remote sensing data in land science research. Two sites in the centerminous U.S. have been selected as study areas scanned by Landsat, Nimbus and GOES instruments. The data will be analyzed by teams of researchers representing different fields of expertise. The PLDS program will explore data management, networking and communications, system access capabilities, land analysis software, special processes and overall systems engineerng. The data will be processed by researchers working interactively through remote supermicrocomputer workstations using a variety of operating systems and on-site software capabilities.

Price, R. D.↗

Astrometric results of 1978-1985 Deep Space Network radio interferometry - The JPL 1987-1 extragalactic source catalog

An astrometric radio reference frame has been determined from intercontinental dual-frequency radio interferometric measurements. These measurements were carried out on a regular basis during 1978-1985 between NASA's Deep Space Network stations in California, Spain, and Australia. Analysis of 6800 pairs of delay and delay-rate observations made during 51 sessions produced estimates of 1300 parameters. The most significant of these are geophysical quantities and positions of extragalactic sources. The source catalog resulting from this analysis includes 106 sources fairly uniformly distributed over the celestial sphere, north of -45 deg declination. Almost all of the resulting source positions have formal uncertainties between 0.5 and 3 milliarcseconds (mas), with rms values of 2 mas in both angular coordinates. Internal consistency checks, as well as comparisons with independently determined source catalogs of comparable quality, indicate that relative source coordinates determined by VLBI contain systematic errors at the level of 1 to 2 mas.

Sovers, O. J.↗

Observations related to the acceleration, injection, and interplanetary propagation of energetic protons during the solar cosmic ray event on February 16, 1984

This paper presents an analysis of data collected by the worldwide network of neutron monitors and from IMP-8 cosmic-ray telescopes, as well as by particle detectors on the GOES 5 and 6 and ICE satellites, on the solar cosmic ray event that took place on February 16, 1984. Using these data, the intensity-time (IT) profiles, the anisotropy-time profiles, the energy spectra, and the pitch angle distributions of the solar protons near earth were deduced. It was found that the solar protons propagated essentially scatter-free from the sun to the earth. The solar protons had easy access to the IMF lines to earth; the time from the onset to maximum intensity and the shape of the IT profiles at earth as a function of energy could be explained by the diffusion of the flare protons near the acceleration region. The energy spectrum of the solar flare protons injected into the undisturbed IMF at the sun was changing with time in both amplitude and shape. The observations suggest a shock acceleration process.

Debrunner, H.↗

Evolution of the large Deep Space Network antennas

The evolution of the largest antenna of the US NASA Deep Space Network (DSN) is described. The design, performance analysis, and measurement techniques, beginning with its initial 64-m operation at S-band (2295 MHz) in 1966 and continuing through the present ka-band (32-GHz) operation at 70 m, is described. Although their diameters and mountings differ, these parabolic antennas all employ a Cassegrainian feed system, and each antenna dish surface is constructed of precision-shaped perforated-aluminum panels that are secured to an open steel framework

Imbriale, William A.↗

Colorado Center for Astrodynamics Research (CCAR)

Viewgraphs on the Colorado Center for Astrodynamics Research (CCAR) are presented. Topics covered include: EOSDIS testbed: an Advanced Very High Resolution Radiometer (AVHRR) data system for snowpack and vegetation studies; satellite data processing software; satellite data analysis activities; mass storage systems; wide area network connections; and remote access.

Emery, William↗