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Development of Integrated Biomimetic Framework with Intelligent Monitoring, Cognition and Decision Capabilities for Control of Advanced Energy Plants

The objective of the project entitled “Development of Integrated Biomimetic Framework with Intelligent Monitoring, Cognition, and Decision Capabilities for Control of Advanced Energy Plants” is to develop algorithms and methodologies for designing a biomimetic control system for optimal control of advanced energy plants. Traditionally, control systems have been designed based on assumed a priori knowledge of the process system. A number of variables are manipulated to accomplish disturbance rejection and/or servo control performance. While it is possible to adapt the process model based on available data, the control structure and the controllers rarely change. Thus, the knowledge learnt during process operation is lost or remains underutilized. In addition, the business models of today, especially for power plants, are rapidly changing. The power plant operators are being pushed to the edge due to the penetration of renewable energy derived power to the grid, the demand for high efficiency, ever-tightening environmental regulations, and requirements for increased plant availability. Thus, power plant operations need to be agile and should adapt quickly to the dynamic requirements. A number of characteristics distinguish biological systems from the traditional process control systems. Self-organization, distributed intelligence, adaptability, intelligent monitoring, cognition, and decision capabilities are some of the powerful characteristics of the biological world that can be effectively utilized in process control. At the top, the central nervous system (CNS) integrates the information from and coordinates the activities of all parts of the bodies (for bilaterian animals). Inspired by these distinct characteristics, this project seeks to develop methodologies and algorithms to accomplish: (i) self-organization of the control structure for maximizing the plant’s operating profit by mimicking the function of the cortical areas in the human brain, (ii) distributed and adaptive controllers that mimic the rule of pursuit present in ants, (iii) intelligent monitoring of the controllers powered with cognition and decision capabilities that mimic the artificial immune systems, and (iv) seamless coordination and integration in the control system that mimics the CNS.

20 FOSSIL-FUELED POWER PLANTS↗

A Systematic Review on Coordinated Restoration Strategies for Power Distribution Grids

Power distribution grids are increasingly exposed to High-Impact Low-Probability (HILP) events, which cause widespread disruptions with severe societal and economic impacts. The growing complexity of modern grids, driven by the integration of distributed energy resources and smart grid technologies, has introduced new challenges to effective service restoration. While significant research has explored individual restoration strategies, such as network reconfiguration and microgrid formation, limited attention has been given to methods in which they can be effectively coordinated. Furthermore, the absence of systematic review papers addressing this issue hampers the development of cohesive restoration frameworks capable of addressing the operational complexities of modern grids. This paper presents a systematic review synthesizing existing knowledge on power grid restoration, identifying key limitations, and highlighting opportunities for coordinated strategies. By addressing research gaps and emphasizing the integration of diverse approaches, this study provides critical insights for advancing grid resiliency and recovery, offering a foundation for future research and practical applications in the face of HILP events.

Systematic review↗

Enhanced rare earth element recovery with cross-linked glutaraldehyde-lanthanide binding peptides in foam-based separations

Lanthanide Binding Tag (LBT) peptides that coordinate selectively with lanthanide ions can be used to replace the energy intensive processes used for the separation of rare earth elements (REEs). These surface-active biomolecules, once selectively complexed with the trivalent REE cations, can adsorb to air/aqueous interfaces of bubbles for foam-based REEs recovery. Glutaraldehyde, an organic compound that is a homobifunctional crosslinker for proteins and peptides, can be used to enhance the adsorption and interfacial stabilization of lanthanide-bound peptides films. The stability of the interfacial cross-linked films was tested by measuring their dilational and shear surface rheological properties. Surface activity of the adsorbed species was analyzed using pendant drop tensiometry, while surface density and molecular arrangement were determined using x-ray reflectivity and x-ray fluorescence near total reflection. Glutaraldehyde cross-linked REE-peptide complexes enhance the adsorption of lanthanides to air-water interfaces, resulting in thicker interfacial structures. Subsequently, these thicker layers enhance the dilational and shear interfacial rheological properties. The interfacial film stabilization and REEs extraction promoted by the cross-linker presented in this work provides an approach to integrate glutaraldehyde as a substitute of common foam stabilizers such as polymers, surfactants, and particles to optimize the recovery of REEs when using biomolecules as extractants.

36 MATERIALS SCIENCE↗

Integration Process for the Habitat Demonstration Unit

The Habitat Demonstration Unit (HDU) is an experimental exploration habitat technology and architecture test platform designed for analog demonstration activities. The HDU previously served as a test bed for testing technologies and sub-systems in a terrestrial surface environment. in 2010 in the Pressurized Excursion Module (PEM) configuration. Due to the amount of work involved to make the HDU project successful, the HDU project has required a team to integrate a variety of contributions from NASA centers and outside collaborators The size of the team and number of systems involved With the HDU makes Integration a complicated process. However, because the HDU shell manufacturing is complete, the team has a head start on FY--11 integration activities and can focus on integrating upgrades to existing systems as well as integrating new additions. To complete the development of the FY-11 HDU from conception to rollout for operations in July 2011, a cohesive integration strategy has been developed to integrate the various systems of HDU and the payloads. The highlighted HDU work for FY-11 will focus on performing upgrades to the PEM configuration, adding the X-Hab as a second level, adding a new porch providing the astronauts a larger work area outside the HDU for EVA preparations, and adding a Hygiene module. Together these upgrades result in a prototype configuration of the Deep Space Habitat (DSH), an element under evaluation by NASA's Human Exploration Framework Team (HEFT) Scheduled activates include early fit-checks and the utilization of a Habitat avionics test bed prior to installation into HDU. A coordinated effort to utilize modeling and simulation systems has aided in design and integration concept development. Modeling tools have been effective in hardware systems layout, cable routing, sub-system interface length estimation and human factors analysis. Decision processes on integration and use of all new subsystems will be defined early in the project to maximize the efficiency of both integration and field operations. In addition a series of tailored design reviews are utilized to quickly define the systems and their integration into the DSH configuration. These processes are necessary to ensure activities, such as partially reversing integration of the X-Hab second story of the HDU and deploying and stowing the new work porch for transportation to the JSC Rock Yard and to the Arizona Black Point Lava Flow Site are performed with minimal or no complications. In addition, incremental test operations leading up to an Integrated systems test allows for an orderly systems test program. For FY-11 activities, the HDU DSH will act as a laboratory utilizing a new X-Hab inflatable second floor with crew habitation features. In addition to the day to day operations involving maintenance of the HDU and exploring the surrounding terrain, testing and optimizing the use of the new X-Hab, work porch, Hygiene Module, and other sub-system enhancements will be the focus of the FY-11 test objectives. The HDU team requires a successful integration strategy using a variety of tools and approaches to prepare the DSH for these test objectives. In a challenging environment where the prototyping influences the system design, as well as Vice versa, results of the HDU DSH field tests will influence future designs of habitat systems.

Gill, Tracy↗

Study of Communication Boundaries of Primal-Dual-Based Distributed Energy Resource Management Systems (DERMS)

As the coordination of distributed energy resources becomes more necessary to provide grid services through a distributed energy resource management system (DERMS), studying the communication requirements for successful real-world, low-cost implementation becomes increasingly important. Specifically, this paper studies the necessary communication time resolutions between the different system components for a primal-dual-based DERMS, a highly developed DERMS framework. We design a metric to evaluate the functionality of a DERMS with respect to providing grid services. Using numerical simulations based on a real-world feeder in Colorado, we show that the upper bound on the time resolutions is on the order of minutes instead of the previously assumed order of seconds.

communication time resolution↗

Development of a Reference Governor-based Control Scheme for Integrated Energy Systems

The concept of an Integrated Energy System (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. In practice what is achievable is limited by not only the inherent physical response characteristics of individual plant units but also by equipment operating limits. The inherent response characteristics are presently accounted for in the RAVEN-based HYBRID framework by dynamic models for plant units. The equipment operating limits, which are not yet addressed in HYBRID, are the subject of this report. These limits are set to achieve a design service life for a plant unit and are based on material degradation in the presence of mechanical fatigue induced by thermal cycling and by structure creep resulting from elevated temperature conditions. In general, the plant unit designer determines and specifies the allowable operating range of key process variables. It is then up to the integrated system design engineer to ensure those conditions are met. This can be accomplished through a combination of limiting the demand rates made on the plant unit and designing a control system that limits variations of key process variables. The typical control system design procedure, however, is not well suited for achieving this for complex dynamic systems such as encountered in integrated energy systems where multiple plant units must be simultaneously coordinated. This report describes how equipment operating limitations in an IES can be formally met through a control system design procedure know as the Reference Governor. The approach augments the existing controllers in a plant unit with an advance controller that modifies the issued setpoints so that selected process variables remain within limits. The design procedure is applied to the reference multi-unit system that has been the focus of Modeling and Simulation task in the Integrated Energy System program. Results describing application to the problem of limiting key process variables during operational transients for two of the plant units, the balance of plant and the gas turbine, are then presented. It is demonstrated that the Reference Governor method is an effective means for ensuring equipment operating constraints can be met in an IES. The software that implements the method has been made accessible to others on the Modeling and Simulation upload site.

42 ENGINEERING↗

Validation for Global Solar Wind Prediction Using Ulysses Comparison: Multiple Coronal and Heliospheric Models Installed at the Community Coordinated Modeling Center

The prediction of the background global solar wind is a necessary part of space weather forecasting. Several coronal and heliospheric models have been installed and/or recently upgraded at the Community Coordinated Modeling Center (CCMC), including the Wang-Sheely-Arge (WSA)-Enlil model, MHD-Around-a-Sphere (MAS)-Enlil model, Space Weather Modeling Framework (SWMF), and Heliospheric tomography using interplanetary scintillation data. Ulysses recorded the last fast latitudinal scan from southern to northern poles in 2007. By comparing the modeling results with Ulysses observations over seven Carrington rotations, we have extended our third-party validation from the previous near-Earth solar wind to middle to high latitudes, in the same late declining phase of solar cycle 23. Besides visual comparison, wehave quantitatively assessed the models capabilities in reproducing the time series, statistics, and latitudinal variations of solar wind parameters for a specific range of model parameter settings, inputs, and grid configurations available at CCMC. The WSA-Enlil model results vary with three different magnetogram inputs.The MAS-Enlil model captures the solar wind parameters well, despite its underestimation of the speed at middle to high latitudes. The new version of SWMF misses many solar wind variations probably because it uses lower grid resolution than other models. The interplanetary scintillation-tomography cannot capture the latitudinal variations of solar wind well yet. Because the model performance varies with parameter settings which are optimized for different epochs or flow states, the performance metric study provided here can serve as a template that researchers can use to validate the models for the time periods and conditions of interest to them.

Jian, L. K.↗

The waterSHED Model: User Guide

The ideal design and operation of small hydropower plants is a complex optimization problem with economic, social, and environmental objectives. The waterSHED (Water Allocation Tool Enabling Rapid Small Hydropower Environmental Design) model is a user-friendly tool that allows hydropower stakeholders to model the trade-offs among these objectives using the Standard Modular Hydropower (SMH) framework. The SMH framework employs modular technologies that can be represented as blackbox objects and combined within a river to create a hydropower facility. For a given site, the waterSHED model aims to determine which modules should be placed in a facility and how those modules should be operated. This user guide describes how to use the graphical user interface and related functionalities. This document also summarizes the background research and mathematical formulations that are explained indepth in the accompanying doctoral dissertation. This model is an early step toward a new hydropower design process that employs standardization and modularity to reduce costs, development timelines, and challenges regarding social and environmental mitigation measures for low-head, small hydropower development. The waterSHED model is a Python application that will require the ability to download a GitHub repository, import the necessary packages, and run a set of Python script files using an integrated development environment. The script produces a graphical user interface to coordinate inputs, simulate operation, and visualize results, so no coding experience is needed once the script is running. Additionally, the waterSHED Workbook is a Microsoft Excel file that works with the Python script to facilitate data entry

13 HYDRO ENERGY↗

Synthesis, energy transfer and luminescence properties of Ca{sub 2}MgWO{sub 6}:Sm{sup 3+}, Bi{sup 3+} phosphor

Graphical abstract: PL spectra of Ca{sub 2}MgWO{sub 6}:Sm{sup 3+} and Ca{sub 2}MgWO{sub 6}:Sm{sup 3+}, Bi{sup 3+} phosphors with excitation at 407 nm, and the corresponding CIE chromaticity diagram and chromaticity coordinates. - Highlights: • Novel Ca{sub 2}MgWO{sub 6}:Sm{sup 3+}, Bi{sup 3+} phosphor is synthesized by solid-state reaction method in air. • Emission intensity of Ca{sub 2}MgWO{sub 6}:Sm{sup 3+} phosphor is enhanced ∼2 times after co-doped Bi{sup 3+} ion. • Charge compensation and energy transfer may be explained via luminescence properties. • Luminous mechanism is analyzed by energy level diagrams of WO{sub 6}{sup 6−} group, Sm{sup 3+} and Bi{sup 3+} ions. - Abstract: Novel Ca{sub 2}MgWO{sub 6}:Sm{sup 3+}, Bi{sup 3+} phosphor is synthesized by solid-state reaction method in air. Host Ca{sub 2}MgWO{sub 6} with excitation 300 nm emits blue light. Ca{sub 2}MgWO{sub 6}:Bi{sup 3+} phosphor with excitation 300 and 338 nm emits yellow light. Ca{sub 2}MgWO{sub 6}:Sm{sup 3+} phosphor with excitation 300 nm exhibits tunable emission from blue to red light by increasing Sm{sup 3+} doping concentration from 0 to 8 mol%, however, only emits red light with excitation 407 nm. Ca{sub 2}MgWO{sub 6}:Sm{sup 3+}, Bi{sup 3+} phosphor with excitation 300 and 338 nm emits red light. The optimal Sm{sup 3+} doping concentration is ∼5 mol% in Ca{sub 2}MgWO{sub 6}:Sm{sup 3+} phosphor. After Bi{sup 3+} ion is co-doped, luminescence properties of Ca{sub 2}MgWO{sub 6}:Sm{sup 3+} phosphor can be improved obviously because of Bi{sub 2}O{sub 3} as fluxing agent role and energy transfer from Bi{sup 3+} to Sm{sup 3+} ions. The possible luminous mechanism of Ca{sub 2}MgWO{sub 6}:Sm{sup 3+}, Bi{sup 3+} phosphor is analyzed and explained by simplified energy level diagrams of WO{sub 6}{sup 6−} group, Bi{sup 3+} and Sm{sup 3+} ions.

36 MATERIALS SCIENCE↗

fPINNs: Fractional Physics-Informed Neural Networks

Physics-informed neural networks (PINNs), introduced, are effective in solving integer-order partial differential equations (PDEs) based on scattered and noisy data. PINNs employ standard feedforward neural networks (NNs) with the PDEs explicitly encoded into the NN using automatic differentiation, while the sum of the mean-squared PDE residuals and the mean-squared error in initial-boundary conditions is minimized with respect to the NN parameters. Here we extend PINNs to fractional PINNs (fPINNs) to solve space-time fractional advection-diffusion equations (fractional ADEs), and we study systematically their convergence, hence explaining both fPINNs and PINNs for the first time. Specifically, we demonstrate their accuracy and effectiveness in solving multidimensional forward and inverse problems with forcing terms whose values are only known at randomly scattered spatio-temporal coordinates (black-box (BB) forcing terms). A novel element of the fPINNs is the hybrid approach that we introduce for constructing the residual in the loss function using both automatic differentiation for the integer-order operators and numerical discretization for the fractional operators. This approach bypasses the difficulties stemming from the fact that automatic differentiation is not applicable to fractional operators because the standard chain rule in integer calculus is not valid in fractional calculus. To discretize the fractional operators, we employ the Grünwald--Letnikov (GL) formula in one-dimensional fractional ADEs and the vector GL formula in conjunction with the directional fractional Laplacian in two- and three-dimensional fractional ADEs. We first consider the one-dimensional fractional Poisson equation and compare the convergence of the fPINNs against the finite difference method (FDM). We present the solution convergence using both the mean L 2 error as well as the standard deviation due to sensitivity to NN parameter initializations. Using different GL formulas we observe first-, second-, and third-order convergence rates for small size training sets but the error saturates for larger training sets. We explain these results by analyzing the four sources of numerical errors due to discretization, sampling, NN approximation, and optimization. The total error decays monotonically (below 10 –5 for a third-order GL formula) but it saturates beyond that point due to the optimization error. We also analyze the relative balance between discretization and sampling errors and observe that the sampling size and the number of discretization points (auxiliary points) should be comparable to achieve the highest accuracy. As we increase the depth of the NN up to certain value, the mean error decreases and the standard deviation increases, whereas the width has essentially no effect unless its value is either too small or too large. We next consider time-dependent fractional ADEs and compare white-box (WB) and BB forcing. We observe that for the WB forcing, our results are similar to the aforementioned cases; however, for the BB forcing fPINNs outperform FDM. Subsequently, we consider multidimensional time-, space-, and space-time-fractional ADEs using the directional fractional Laplacian and we observe relative errors of 10 –3 ~ 10 –4 . Lastly, we solve several inverse problems in one, two, and three dimensions to identify the fractional orders, diffusion coefficients, and transport velocities and obtain accurate results given proper initializations even in the presence of significant noise.

97 MATHEMATICS AND COMPUTING↗

Marine Corps Base Camp Lejeune Water Quality Dataflow Viewer

Critical military training and testing on lands along the nation’s coastal and estuarine shorelines are increasingly placed at risk because of encroachment pressures in surrounding areas, impairments due to other anthropogenic disturbances, and changes in climate and sea level. The U.S. Department of Defense (DoD) intends to enhance and sustain its training and testing assets and also optimize its stewardship of natural resources through the development and application of an ecosystem-based management approach on DoD installations. To accomplish this goal, particularly for installations in estuarine/coastal environments, the Strategic Environmental Research and Development Program (SERDP) launched the Defense Coastal/Estuarine Research Program (DCERP) as a 10-year effort at Marine Corps Base Camp Lejeune (MCBCL) in North Carolina. The results of the second 5 years of the program (DCERP2) are presented in the DCERP2 Final Report.There were four overarching objectives of DCERP2. The first objective was to understand the effects of climate change impacts, including warming temperatures, variability in the hydrological cycle, storm events, and sea level rise on the coastal ecosystems at MCBCL from observations and measurements made over the 10-year program. The second objective was to understand the carbon cycle of the coastal and terrestrial ecosystems at MCBCL through a highly integrated sampling program. The third objective was to develop models, tools, and indicators to evaluate current and projected future ecosystem state changes and translate scientific findings into actionable information for installation managers. The last objective was to recommend adaptive management strategies to sustain ecosystem natural resources within the context of an active military installation.GIS was used to create point layers from the coordinates representing samples taken along the mainstem and shallow portions of the New River Estuary. The point layers were transformed into linear features and datasets were created for each parameter (salinity, chlorophyll, and turbidity). The line representing each sample collection point was symbolized based on the value of each parameter in the Water Quality Explorer for the dawn samples only. The date and time collected for each sample was used to visualize the sample collection at dawn in the map viewer. Each GIS layer was time enabled with a daily time step interval so that changes in concentrations of salinity, chlorophyll, and turbidity could be observed on a daily basis. In the geodatabase, the layers used for the dawn samples end with “_AM”. The ones without AM at the end include all samples (AM and PM); note that the PM samples are not visualized in the Water Quality Explorer.

54 ENVIRONMENTAL SCIENCES↗

Custom surface reflectance, shade mask, and equivalent water thickness maps for the Colorado Headwaters Ecological Spectroscopy Study (2025)

This dataset contains land surface reflectance estimates and additional derived products generated from NEON Imaging Spectrometer (NIS) data collected in the Upper Gunnison river basin during June and July of 2025. Data was collected over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). These products were derived from radiance and LiDAR data collected by the NEON Airborne Observation Platform (AOP) campaign funded by the Colorado Headwaters Ecological Spectroscopy Study (CHESS) (doi:10.15485/3017965). Products include per-pixel surface reflectance (rfl) and reflectance uncertainty (rfl_unc), observational data (obs), canopy equivalent water thickness (ewt), and shade masks. Atmospheric correction was performed per flightline using the ISOFIT (Imaging Spectrometer Optimal FITting) optimal estimation framework to estimate surface reflectance and the associated per-band reflectance uncertainty. Reflectance retrievals achieved a mean absolute error of 1.5% across diverse validation surfaces (see validation report.pdf). Equivalent water thickness was calculated from surface reflectance using the Beer–Lambert absorption of liquid water. Shade masks were generated based on the geometry between the sun angle, ground surface, and sensor at the time of flight. Data products are provided per-flightline and as mosaics for each domain. Flightline data products are provided as ENVI-formatted binary files (rfl, rfl_unc, ewt) and GeoTIFFs (shade). Reflectance and uncertainty mosaics are provided as tiled NetCDFs, while all other mosaicked products are provided as cloud-optimized GeoTIFFs. These formats are supported by common geospatial software (e.g., QGIS, ArcGIS, ENVI) and programmatic libraries in Python (e.g., rasterio, xarray, spectral, netCDF4) and R (e.g., terra, ncdf4). Processing workflows were designed to be equivalent to those used to generate the 2018 CHESS campaign airborne imaging spectroscopy data products (doi:10.15485/3013527). All outputs were co-registered to a common spatial grid to support time series analyses. CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgment: Data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). Computational research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration (80NM0018D0004) and was funded by EMIT Extended Mission Phase E Science.

2018 NEON and 2025 CHESS Campaigns↗

Evaluation of APREQCFR Coordination Procedures for Charlotte Douglas International Airport

NASA has been collaborating with the Federal Aviation Administration (FAA) and aviation industry partners to develop and demonstrate new concepts and technologies for the Integrated Arrival, Departure, and Surface (IADS) traffic management capabilities under the Airspace Technology Demonstration 2 (ATD-2) project. One of the goal of The IADS capabilities in the ATD-2 project is to increase predictability and increase throughput via improving TMI compliance. The IADS capabilities that will impact TMI compliance are built upon previous NASA research, the Precision Departure Release Capability (PDRC). The proposed paper will evaluate the APREQCFR process between ATC Tower and Center and information sharing between ATC Tower and the airline Ramp tower. Subjective measures collected from the HITL surveys (e.g., workload, situational awareness, acceptability, usability) and performance metrics such as TMI, TMAT, and pushback advisory compliance from APREQCFR flights and will be reported.

APREQ scheduling↗

Study of Communication Boundaries of Primal-Dual Based Distributed Energy Resource Management Systems (DERMS): Preprint

As the coordination of distributed energy resources (DERs) becomes more necessary to provide grid services through a distributed energy resources management system (DERMS), studying the communication requirements for successful real-world low-cost implementation becomes increasingly important. Specifically, this paper studies the needed communication time resolutions between the different system components for a primal-dual based DERMS which is a highly-developed DERMS framework. We design a metric to evaluate the functionality of a DERMS with respect to providing grid services. Using numerical simulations based on a real-world feeder in Colorado, we show that the upper bound on the time resolutions is on the order of minutes instead of the previously assumed order of seconds.

communication time resolution↗

Optimizing DOE Opportunities to Research Land–Atmosphere Interactions in the U.S. Southeast (Workshop Report)

The southeastern United States (Southeast), with its complex and varied environments, is an area of tremendous economic, ecological, and societal importance to the country. The region is characterized by heterogeneous landscapes (i.e., geology and soil type) and a long history of human land use coupled with a warm temperature regime and high precipitation. As a result, soil erosion and deposition are pronounced, vegetation recovery is rapid, and human modification is extensive across the region. To better understand land–atmosphere interactions in this important and complex region, research communities supported by the U.S. Department of Energy’s Biological and Environmental Research (BER) program identified the Southeast as a priority region of interest. In fall 2024, the third Atmospheric Radiation Measurement Mobile Facility (AMF3), one of three mobile monitoring facilities designed to collect atmospheric and climate data from undersampled regions around the world, will begin operations in northwestern Alabama’s Bankhead National Forest (BNF). The AMF3-BNF 5-year deployment, from 2024–2029, will monitor the effects of feedbacks among aerosols, clouds, and precipitation on plant physiology and canopy-scale fluxes. It will also focus on scale aggregation to resolve the role of local forcing on larger-scale processes. To enable broader AMF3 involvement by the science community, the BER Environmental System Science (ESS) program organized the Southeast Land– Atmosphere Research Opportunities (SELARO) workshop in August 2023. The purpose was to identify gaps in scientific understanding of terrestrial processes in the Southeast (defined as states bounded by the Gulf of Mexico to the south, the Atlantic Ocean to east, the Mississippi River to the west, and extending through Tennessee and North Carolina to the north) and explore opportunities to use the AMF3-BNF deployment to coordinate and leverage research efforts across the region. Many parts of the Southeast have experienced repeated anthropogenic forcings. Farming, hunting, burning, and settlement of the region by Indigenous Peoples first shaped the distribution of plant communities, which in turn influenced European colonization patterns. Timber harvesting was common during the expansion of European settlements, and production forestry continues today. Agricultural production was extensive and then waned through the 20th century, creating a period of afforestation following agricultural abandonment. Today, many formerly agricultural landscapes are undergoing rapid urbanization and suburbanization. Overlying these patterns of anthropogenic land use are frequent disturbances from hurricanes, tornadoes, wildfires, drought, flooding, ice storms, and the occasional blizzard. An additional characteristic of the Southeast is its overall landscape complexity. Unlike the western United States, where broad expanses may share similar characteristics, Southeast topography, drainage patterns, vegetation, and development patterns vary widely across relatively small spatial scales (<1 km). This is due to the region’s underlying geology and soil development, species biodiversity patterns, and land ownership and use coupled with strong forces of erosion, weathering, and rapid plant growth in the warm, wet climate.

54 ENVIRONMENTAL SCIENCES↗

Chemical Modifications of Ag Catalyst Surfaces with Imidazolium Ionomers Modulate H 2 Evolution Rates during Electrochemical CO 2 Reduction

Bridging polymer design with catalyst surface science is a promising direction for tuning and optimizing electrochemical reactors that could impact long-term goals in energy and sustainability. Particularly, the interaction between inorganic catalyst surfaces and organic-based ionomers provides an avenue to both steer reaction selectivity and promote activity. In this work, we studied the role of imidazolium-based ionomers for electrocatalytic CO 2 reduction to CO (CO 2 R) on Ag surfaces and found that they produce no effect on CO 2 R activity yet strongly promote the competing hydrogen evolution reaction (HER). By examining the dependence of HER and CO 2 R rates on concentrations of CO 2 and HCO 3 –, we developed a kinetic model that attributes HER promotion to intrinsic promotion of HCO 3 – reduction by imidazolium ionomers. We also show that varying the ionomer structure by changing substituents on the imidazolium ring modulates the HER promotion. This ionomer-structure dependence was analyzed via Taft steric parameters and density functional theory calculations, which suggest that steric bulk from functionalities on the imidazolium ring reduces access of the ionomer to both HCO 3 – and the Ag surface, thus limiting the promotional effect. Our results help develop design rules for ionomer–catalyst interactions in CO 2 R and motivate further work into precisely uncovering the interplay between primary and secondary coordination in determining electrocatalytic behavior.

36 MATERIALS SCIENCE↗

Incremental triangulation by way of edge swapping and local optimization

This document is intended to serve as an installation, usage, and basic theory guide for the two dimensional triangulation software 'HARLEY' written for the Silicon Graphics IRIS workstation. This code consists of an incremental triangulation algorithm based on point insertion and local edge swapping. Using this basic strategy, several types of triangulations can be produced depending on user selected options. For example, local edge swapping criteria can be chosen which minimizes the maximum interior angle (a MinMax triangulation) or which maximizes the minimum interior angle (a MaxMin or Delaunay triangulation). It should be noted that the MinMax triangulation is generally only locally optical (not globally optimal) in this measure. The MaxMin triangulation, however, is both locally and globally optical. In addition, Steiner triangulations can be constructed by inserting new sites at triangle circumcenters followed by edge swapping based on the MaxMin criteria. Incremental insertion of sites also provides flexibility in choosing cell refinement criteria. A dynamic heap structure has been implemented in the code so that once a refinement measure is specified (i.e., maximum aspect ratio or some measure of a solution gradient for the solution adaptive grid generation) the cell with the largest value of this measure is continually removed from the top of the heap and refined. The heap refinement strategy allows the user to specify either the number of cells desired or refine the mesh until all cell refinement measures satisfy a user specified tolerance level. Since the dynamic heap structure is constantly updated, the algorithm always refines the particular cell in the mesh with the largest refinement criteria value. The code allows the user to: triangulate a cloud of prespecified points (sites), triangulate a set of prespecified interior points constrained by prespecified boundary curve(s), Steiner triangulate the interior/exterior of prespecified boundary curve(s), refine existing triangulations based on solution error measures, and partition meshes based on the Cuthill-McKee, spectral, and coordinate bisection strategies.

Wiltberger, N. Lyn↗

Study of Communication Boundaries of Primal-Dual Based Distributed Energy Resource Management Systems (DERMS)

As the coordination of distributed energy re-sources becomes more necessary to provide grid services through a distributed energy resource management system (DERMS), studying the communication requirements for suc-cessful real-world, low-cost implementation becomes increasingly important. Specifically, this paper studies the necessary communication time resolutions between the different system components for a primal-dual-based DERMS, a highly de-veloped DERMS framework. We design a metric to evaluate the functionality of a DERMS with respect to providing grid services. Using numerical simulations based on a real-world feeder in Colorado, we show that the upper bound on the time resolutions is on the order of minutes instead of the previously assumed order of seconds.

communication time resolution↗