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DOE OSTI2018

Ligand-Induced Variations in Structural and Dynamical Properties Within an Enzyme Superfamily

Enzyme catalysis is a complex process involving several steps along the reaction coordinates, including substrate recognition and binding, chemical transformation, and product release. Evidence continues to emerge linking the functional and evolutionary role of conformational exchange processes in optimal catalytic activity. Ligand binding changes the conformational landscape of enzymes, inducing long-range conformational rearrangements. Using functionally distinct members of the pancreatic ribonuclease superfamily as a model system, we characterized the structural and conformational changes associated with the binding of two mononucleotide ligands. By combining NMR chemical shift titration experiments with the chemical shift projection analysis (CHESPA) and relaxation dispersion experiments, we show that biologically distinct members of the RNase superfamily display discrete chemical shift perturbations upon ligand binding that are not conserved even in structurally related members. Amino acid networks exhibiting coordinated chemical shift displacements upon binding of the two ligands are unique to each of the RNases analyzed. Our results reveal the contribution of conformational rearrangements to the observed chemical shift perturbations. These observations provide important insights into the contribution of the different ligand binding specificities and effects of conformational exchange on the observed perturbations associated with ligand binding for functionally diverse members of the pancreatic RNase superfamily.

Biochemistry & Molecular Biology↗

DOE OSTI2022

The weathered bedrock vadose zone: A hidden control on water availability in the western United States (Final Technical Report)

This report summarizes the research completed during the project entitled "The weathered bedrock vadose zone: A hidden control on water availability in the western United States" (Award: DE-SC0018039). The report covers work completed between 9/15/17 and 9/14/20. The objective of the exploratory project work was to evaluate the overarching hypothesis that the subsurface underlying actively eroding landscapes is systematically structured as a result of a balance between weathering and erosion and that this structure leads to dynamic moisture storage within weathered rock. To accomplish project objectives, we characterized hillslope weathering profile structure and conducted subsurface moisture monitoring across four study sites with comparable bedrock types but differing erosion rate and hydroclimate: The Angelo Coast Range Reserve (ACRR), Sagehorn-Russell Ranch (SRR), Antelope Valley Ranch (AVR), and the LBNL Watershed Function Scientific Focus Area (SFA). New characterization and monitoring infrastructure at the AVR and SFA sites was established through this project and enables long-term monitoring of hydrologic and carbon fluxes at the sites for comparison with long-term monitoring in other sites. Deep drilling, downhole logging, and characterization of chemistry and porosity of rock recovered from drilling reveals two weathering fronts across the sites. A shallower front is marked by the extent of pervasive fracturing and oxidation of pyrite and organic carbon. A deeper weathering front is marked by the appearance of open fractures and discoloration. At the AVR site, multiple ridge tops of different hillslope length were investigated to establish the relationship between the weathering front and topography. Drilling reveals that the fraction of the hillslope relief that is weathered scales with hillslope length, consistent with the theoretical framework that guided the project relating groundwater drainage with landscape evolution. With the establishment of new boreholes, we have documented significant water storage in weathered bedrock using low-field borehole nuclear magnetic resonance (NMR) across all four sites. In the upper 4 m of bedrock, the average water contents at ACRR, AVR, SRR, and SFA are approximately 25%, 16%, 25%, 23% respectively. At the ACRR site, where long-term monitoring via neutron probe surveys and time-domain transmission sensors are available, we have demonstrated that NMR reliably records moisture content and importantly, moisture content dynamics in weathered bedrock. Across all sites, our NMR monitoring has also revealed that a considerable fraction of the water storage occurs in fractures or pores that are significantly larger than the fine-grained bedrock matrix of the parent rock. To identify the proportion of water storage occurring in fractures and large pores, we analyzed the NMR signal by evaluating both the sum of echoes and an inversion of the NMR signal for a distribution of T2 relaxation times. Both methods reveal that at least 20% of the water storage occurs in fractures and larger pores across all sites. To constrain the interpretation of the in-situ field-scale NMR measurements, we compare the NMR response in the field to independent pore-structure information obtained via helium pycnometry. Results support the inference that dynamic seasonal water storage is dominantly restricted to the fracture network, which can reach 7% of the total volume. This dynamic range in water content is comparable to that of some soils, underscoring the need to understand how this region of the Earth System is structured, and functions as a hydrologic reservoir.

58 GEOSCIENCES↗

DOE OSTI2022

Fine resolution remote sensing spectra improves estimates of gross primary production of croplands

Gross primary production (GPP) is a fundamental measure of the terrestrial carbon cycle critical to our understanding of ecosystem function under the changing climate and land use. Remote sensing enables access to continuous spatial coverage, but remains challenged in heterogeneous croplands. Coarse resolution products, like MOD17A (500 m), may aggregate fragmented land cover types commonly found in heavily managed landscapes and misrepresent their respective contribution to carbon production. Consequently, this study demonstrates the capability of fine-resolution imagery (20-30 m) and available red-edge vegetation indices to characterize GPP across seven Midwest cropping systems. Four sites were established on a 22-year-old USDA Conservation Reserve Program (CRP); and the other three on land conventionally farmed with corn-soybean-wheat rotation (AGR). We compare in situ GPP estimates from eddy-covariance towers with ten satellite models: eight variants of the vegetation photosynthesis models (VPM), of which five include a red-edge vegetation index, as well as conventional products Landsat CONUS GPP (30 m) and MOD17A2H V6 (500 m). Daily and cumulative fine-resolution imagery integrated within VPM generally agreed with tower-based GPP in heterogeneous landscapes more than those from MODIS 500 m VPM or conventional GPP products from MOD17AH V6 or Landsat 8 CONUS. Here, replacing EVI2 with red-edge indices NDRE2, NDRE1, and MTCI in Sentinel 2 VPMs notably improved explanation of variance and estimation of cumulative GPP. While existing methods using MODIS- and Landsat-derived GPP are important baselines for regional and global studies, future research may benefit from the higher spatial, temporal, and radiometric resolution.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Quantifying Rates of Erosion Using Historical Aerial Photos - 19478

Erosion can play an important role in the fate and transport of waste at sites where disposal of long-lived waste is anticipated. The statistical characterization of key processes related to erosion is essential to the understanding of site stability through time. In this work multi-temporal historical aerial images are analyzed in conjunction with orthophotography and Lidar data to develop probability distributions for variables representing important erosion processes. Scans of photographic negatives were obtained for multiple photographs and several negatives were scanned with a calibrated photogrammetric scanner by Geomni (formerly Blue Skies Consulting) in Belen, New Mexico. Other negatives were provided by USDA or scanned on a high-resolution, large format media scanner in the United States National Archives Cartographic Research Room, College Park, Maryland (1939). An additional set of aerial photographs was obtained from the USGS EROS Data Center web site. For other years, photographic prints were available for aerial photography. Several prints were scanned with a large-format media scanner at 1200 dpi. Ground control points for selected digital images used in the stereoscopic analyses were identified in ArcMap. Ground control points were collected by matching features which could be identified in the aerial photography as well as the orthophotography or shaded relief imagery from the Lidar dataset. Such features included fence line intersections, road intersections, railroad bridges, and structures, depending on the age of the photography. Many old fence lines and abandoned roads remained visible in the shaded relief imagery while they were completely obscured by tree canopy in modern photography. Ground control elevations were sampled from the Lidar-based DEM or directly from point clouds. The image coordinates and matching three-dimensional projected coordinates of the ground control points were exported to IDL where parameters for a three-dimensional direct linear transformation (DLT) were obtained. Built-in singular value decomposition routines were used to solve an overdetermined set of equations for the eleven parameters of the DLT for a particular historical photograph. A solution to the DLT parameters was obtained for each historical aerial photograph in which features of interest were identified using the stereoscope. Ultimately, this process resulted in the identification of locations for features like gully heads using both the Lidar dataset and projection of the estimated location from the historical aerial photo under consideration back to the Lidar dataset. The distance between the estimate of the location from the historical image and that of the Lidar dataset was the estimated distance the feature has moved. This distance was then divided by the number of years between the Lidar dataset and the year of the historical aerial image of interest to get a rate of movement through time. This was done for several dozen points on each historical aerial image. There was inevitable uncertainty associated with the estimation of points from the historical aerial imagery. This includes estimation of changes in locations of features like gully heads through time. In this work a method to estimate the uncertainty associated with measurements of locations of features using the stereoscopic analysis is developed and applied. For features with locations in space that do not change (e.g., road intersections, etc.) the difference in measurements of locations from the Lidar dataset and that of the estimate from the historical aerial image provides an observation of the measurement error. These points used to estimate the measurement error are referred to as control points. For each of the historical aerial images, a different measurement error distribution is estimated using control points. These measurement errors are combined with the estimated distances from the stereoscopic analyses to produce distributions of gully retreat rates and hillslope erosion rates used along with output from Erosion Working Group (EWG) Landscape Evolution Models (LEMs) to provide statistical probability distributions for input into the PPA Model. Specifically, gully head retreat rate and gully widening rate were characterized using statistical probability distributions. The central limit theorem was then applied to develop rates that represent long-term averages that are used to inform a PPA Model built in GoldSim. The importance of these rates with respect to characterization of future risk can then assessed using sensitivity analyses. This provides an approach to determine if subsequent reduction of the uncertainty associated with the probability distributions of erosion rates will correspond to meaningful reduction in the estimation of future risk from the site. Ultimately this is a general method that utilizes historical aerial imagery to estimate rates of erosion with uncertainty. This information can be used to inform PPA models to project future risks from a given site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Polymorphs of the n–Type Polymer P(NDI2OD–T2): A Comprehensive Description of the Impact of Processing on Crystalline Morphology and Charge Transport

A systematic study of the polymorphs emerging in P(NDI2OD-T2) (also commercially known as N2200), a prototypical organic semiconducting n-type polymer, is presented. Using a tightly integrated experimental and computational approach, detailed atomistic-level descriptions are provided investigating the three known P(NDI2OD-T2) polymorphs observed at room temperature as a function of thin-film processing. Importantly, over the course of the work, a missing link is uncovered, a fourth polymorph referred to here as Form I-β; this new form is a morphological intermediary observed upon thermal annealing, which evolves from Form I but tends to disappear upon full polymer chain melting. The computationally derived polymorph structures show excellent agreement with experimental X-ray scattering characterization. The relative stabilities of each polymorph are calculated in terms of both the bulk material and the polymorph-air interface. An energy landscape is then constructed to qualitatively compare the thermodynamic versus kinetic origins of each polymorph, and the factors driving (supra)assembly and associated transformations among polymorphs using an approach generalizable to other organic semiconducting polymers. Lastly, the relationships among preferential polymorphic crystallinity, relative chain orientations, and directional charge transport properties in P(NDI2OD-T2) are explored. Altogether, this work provides unprecedented insights into complex structure-processing-transport relationships in a representative semiconducting organic polymer.

36 MATERIALS SCIENCE↗

DOE OSTI2025

A Synoptic System for Capturing Ecosystem Control Points Across Terrestrial‐Aquatic Interfaces

Interconnected landscape features such as terrestrial‐aquatic interfaces play an outsized role in biogeochemical cycles as ecosystem control points, but it is notoriously challenging to characterize these. Here, we document a synoptic sensor network design that is (a) flexible to accommodate diverse ecosystem interfaces and gradients, (b) adaptable to monitoring and modeling needs of small and large projects alike, (c) standardized for intercomparability across sites and field experiments, and (d) adequately replicated to capture heterogeneity of each parameter monitored. This real‐time monitoring of surface water, groundwater, soil, and vegetation supports configuration and evaluation of models that span upland, wetland, open water strata, and transitions between them. We established the network at seven sites along the Chesapeake Bay and Lake Erie coastlines, including large‐scale flood manipulation experiments in both regions. A central design element is “one data logger program to rule them all”—a collection of sensor‐specific modules deployed on 40 loggers controlling ∼2,000 sensors, with the goal of streamlining maintenance, debugging, and reproducible data processing. The network generates ∼6 M observations per month, capturing system dynamics at the broad spatial and fine temporal scales needed to initialize and benchmark models; measurement frequency can be modified remotely to capture events. This network design has also revealed behaviors not represented in Earth system models, such as transient groundwater oxygen pulses. Completely documented and open source, this standardized, flexible, and efficient sensor network design can reduce barriers to understanding environmental changes and ecosystem responses across systems and scales.

Ward, Nicholas D. [Pacific Northwest National Labo↗

DOE OSTI2017

Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases

Summary The xyloglucan endotransglycosylase/hydrolase ( XTH ) gene family encodes enzymes of central importance to plant cell wall remodeling. The evolutionary history of plant XTH gene products is incompletely understood vis‐à‐vis the larger body of bacterial endoglycanases in Glycoside Hydrolase Family 16 ( GH 16). To provide molecular insight into this issue, high‐resolution X‐ray crystal structures and detailed enzyme kinetics of an extant transitional plant endoglucanase ( EG ) were determined. Functionally intermediate between plant XTH gene products and bacterial licheninases of GH 16, Vitis vinifera EG 16 (Vv EG 16) effectively catalyzes the hydrolysis of the backbones of two dominant plant cell wall matrix glycans, xyloglucan (XyG) and β(1,3)/β(1,4)‐mixed‐linkage glucan ( MLG ). Crystallographic complexes with extended oligosaccharide substrates reveal the structural basis for the accommodation of both unbranched, mixed‐linked ( MLG ) and highly decorated, linear (XyG) polysaccharide chains in a broad, extended active‐site cleft. Structural comparison with representative bacterial licheninases, a xyloglucan endotranglycosylase ( XET ), and a xyloglucan endohydrolase ( XEH ) outline the functional ramifications of key sequence deletions and insertions across the phylogenetic landscape of GH 16. Although the biological role(s) of EG 16 orthologs remains to be fully resolved, the present biochemical and tertiary structural characterization provides key insight into plant cell wall enzyme evolution, which will continue to inform genomic analyses and functional studies across species.

McGregor, Nicholas↗

NASA NTRS1969

Environment mapping with spacecraft photography: A Central Australian example

Boundary delineation from space photographs as a precursor to area typing was studied for characterization of land use for resource mapping near Alice Springs, Australia, where both boundary detection and categorization are complicated by the variations of the landscape. The detection and meaning of boundaries, and sources of confusion during categorization are discussed.

Simonett, D. S.↗

NASA NTRS2006

The Use of ATLAS Data to Quantify Surface Radiative Budget Alteration Through Urbanization for San Juan, Puerto Rico.

The additional heating of the air over the city is the result of the replacement of naturally vegetated surfaces with those composed of asphalt, concrete, rooftops and other manmade materials. The temperatures of these artificial surfaces can be 20 to 40 0 C higher than vegetated surfaces. Materials such as asphalt store much of the sun s energy and remains hot long after sunset. This produces a dome of elevated air temperatures 5 to 8 C greater over the city, compared to the air temperatures over adjacent rural areas. This effect is called the "urban heat island". Urban landscapes are a complex mixture of vegetated and nonvegetated surfaces. It is difficult to take enough temperature measurements over a large city area to characterize the complexity of urban radiant surface temperature variability. However, the use of remotely sensed thermal data from airborne scanners are ideal for the task. The NASA Airborne Thermal and Land Applications Sensor (ATLAS) operates in the visual and IR bands was used in February 2004 to collect data from San Juan, Puerto Rico with the main objective of investigating the Urban Heat Island (UHI) in tropical cities. In this presentation we will examine the techniques of analyzing remotely sensed data for measuring the effect of various urban surfaces on their contribution to the urban heat island effect. Results from data collected from other US cities of Sacramento, Salt Lake City and Baton Rouge will be used to compare the "urban fabric" among the cities.

Luvall, Jeffrey C.↗

NASA NTRS2007

Analysis of The Surface Radiative Budget Using ATLAS Data for San Juan, Puerto Rico

The additional beating of the air over the city is the result of the replacement of naturally vegetated surfaces with those composed of asphalt, concrete, rooftops and other man-made materials. The temperatures of these artificial surfaces can be 20 to 40 C higher than vegetated surfaces. This produces a dome of elevated air temperatures 5 to 8 C greater over the city, compared to the air temperatures over adjacent rural areas. Urban landscapes are a complex mixture of vegetated and nonvegetated surfaces. It is difficult to take enough temperature measurements over a large city area to characterize the complexity of urban radiant surface temperature variability. The NASA Airborne Thermal and Land Applications Sensor (ATLAS) operates in the visual and IR bands was used in February 2004 to collect data from San Juan, Puerto Rico with the main objective of investigating the Urban Heat Island (UHI) in tropical cities.

Luvall, Jeffrey C.↗

DOE OSTI2024

A Tool to Incorporate Non-Energy Impacts in Energy Efficiency Investment Decision Making for Firms

Energy efficiency is a key demand-side strategy for sustainability, recently identified by the United States Department of Energy as a pillar of industrial decarbonization. The increased focus on decarbonization and the requirement for efficiency to enable electrification, another decarbonization pillar, due to the spark spread between natural gas and electricity prices, make energy efficiency increasingly relevant. Still, industries face challenges in adopting energy efficiency measures. Researchers have long found a gap in adoption of even those measures with a profitable net present value, attributed to lack of strategic value among other barriers (see for rigorous exploration and taxonomy). One solution to facilitate energy efficiency projects is the inclusion of non-energy impacts, as this has been shown to double potential deployment of such projects at system level. Energy efficiency can provide valuable benefits outside of simple operating cost reductions, from decreased pollution to enhanced productivity. The inclusion of these benefits in decision making assessments faces hurdles due to inconsistency of ancillary benefits across projects, difficulties in quantifying impacts and the need for additional measurement to quantify them. The decision-making tools to support this have been designed primarily for the European context. We begin with a stakeholder engagement process to better characterize the U.S. decision making process surrounding adoption of energy efficiency investments. Characterization of non-energy impacts has developed substantially over recent decades. Cagno et al. provided a framework for studying the applicability of these impacts to energy efficiency projects, listing 120 key performance indicators focused mainly on reductions of costs/harms. Other researchers have included impacts on the strategic and revenue side that can be merged into this framework as well. We seek a tractable set of impacts that can be included in a decision-making tool in the US, and as such are well suited to US industry, management and decision making processes. We also seek to understand how to best quantify or characterize these impacts. This work will demonstrate the results of a survey conducted among US manufacturing industry decision makers to assess the decision making landscape of stakeholders as well as the most relevant performance indicators for energy efficiency projects.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION,↗

DOE OSTI2018

Higgs and superparticle mass predictions from the landscape

Predictions for the scale of SUSY breaking from the string landscape go back at least a decade to the work of Denef and Douglas on the statistics of flux vacua. The assumption that an assortment of SUSY breaking F and D terms are present in the hidden sector, and their values are uniformly distributed in the landscape of D = 4, N = 1 effective supergravity models, leads to the expectation that the landscape pulls towards large values of soft terms favored by a power law behavior P(m soft )~m$n\atop{soft}$. On the other hand, similar to Weinberg’s prediction of the cosmological constant, one can assume an anthropic selection of weak scales not too far from the measured value characterized by mW,Z,h ~ 100 GeV. Working within a fertile patch of gravity-mediated low energy effective theories where the superpotential μ term is << m 3/2 , as occurs in models such as radiative breaking of Peccei-Quinn symmetry, this biases statistical distributions on the landscape by a cutoff on the parameter Δ EW , which measures fine-tuning in the m Z -μ mass relation. The combined effect of statistical and anthropic pulls turns out to favor low energy phenomenology that is more or less agnostic to UV physics. While a uniform selection n = 0 of soft terms produces too low a value for m h , taking n = 1 and 2 produce most probabilistically m h ~125 GeV for negative trilinear terms. For n ≥ 1, there is a pull towards split generations with m$\sim\atop{q}$,$\sim\atop{ℓ}$(1,2)~10-30 TeV whilst m$\sim\atop{t}$ 1 ~1-2 TeV. The most probable gluino mass comes in at ~ 3 - 4 TeV — apparently beyond the reach of HL-LHC (although the required quasi-degenerate higgsinos should still be within reach). We comment on consequences for SUSY collider and dark matter searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2019

Characterizing Damage Accumulation in CMCs

Silicon carbide / silicon carbide ceramic matrix composites (SiC/SiC CMCs) are structural ceramics that are well-suited for the extreme environment conditions of aerospace applications largely due to their low weight, creep resistance, damage tolerance, and high specific strength. In CMCs, the initiation and evolution of damage is influenced by a number of factors including characteristics of the constituent landscape (porosity, interfacial properties, and geometric distribution of CMC constituents), thermo-mechanical loading parameters, and environmental conditions. However, much is still unknown about these factors and the interactions between them. In order to accurately predict the lifetimes of these advanced composites, it is critical to understand the evolution of damage and to characterize which early damage mechanisms (and their relationship to key microstructural features) subsequently lead to crack coalescence and macroscopic failure. This research focuses on the use of a multi-modal, experimental approach to examine the relative activity of surface and subsurface damage mechanisms in CMCs. The impact of fabrication choices on the evolution of damage to final failure, and the influence of constituent architecture on early damage mechanisms, are investigated. This approach combines acoustic emission (AE) with microscale deformation tracking via digital image correlation inside a scanning electron microscope (SEM-DIC). The potential application of this combined approach towards characterization of damage in SiC/SiC CMCs under more complex testing conditions is explored.

Swaminathan, Bhavana↗

DOE OSTI2016

A cavitation transition in the energy landscape of simple cohesive liquids and glasses

In particle systems with cohesive interactions, the pressure-density relationship of the mechanically stable inherent structures sampled along a liquid isotherm (i.e., the equation of state of an energy landscape) will display a minimum at the Sastry density ρ{sub S}. The tensile limit at ρ{sub S} is due to cavitation that occurs upon energy minimization, and previous characterizations of this behavior suggested that ρ{sub S} is a spinodal-like limit that separates all homogeneous and fractured inherent structures. Here, we revisit the phenomenology of Sastry behavior and find that it is subject to considerable finite-size effects, and the development of the inherent structure equation of state with system size is consistent with the finite-size rounding of an athermal phase transition. What appears to be a continuous spinodal-like point at finite system sizes becomes discontinuous in the thermodynamic limit, indicating behavior akin to a phase transition. We also study cavitation in glassy packings subjected to athermal expansion. Many individual expansion trajectories averaged together produce a smooth equation of state, which we find also exhibits features of finite-size rounding, and the examples studied in this work give rise to a larger limiting tension than for the corresponding landscape equation of state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Two (or more) for one: Identifying classes of household energy- and water-saving measures to understand the potential for positive spillover

A key component of behavior-based energy conservation programs is the identification of target behaviors. A common approach is to target behaviors with the greatest energy-saving potential. The concept of behavioral spillover introduces further considerations, namely that adoption of one energy-saving behavior may increase (or decrease) the likelihood of other energy-saving behaviors. This research aimed to identify and describe household energy- and water-saving measure classes within which positive spillover is likely to occur (e.g., adoption of energy-efficient appliances may correlate with adoption of water-efficient appliances), and explore demographic and psychographic predictors of each. Nearly 1,000 households in a California city were surveyed and asked to report whether they had adopted 75 different energy- and/or water-saving measures. Principal Component Analysis and Network Analysis based on correlations between adoption of these diverse measures revealed and characterized eight water-energy-saving measure classes: Water Conservation, Energy Conservation, Maintenance and Management, Efficient Appliance, Advanced Efficiency, Efficient Irrigation, Green Gardening, and Green Landscaping. Understanding these measure classes can help guide behavior-based energy program developers in selecting target behaviors and designing interventions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

The Digital Assurance for High Consequence Systems (DAHCS) Mission Campaign Whitepaper

The DAHCS (pronounced “Dax”) MC is a 7-year, $\$$45 million research portfolio within Sandia’s Laboratory Directed Research and Development program. The DAHCS MC arose in response to a great need: to ensure that the use of digital technologies does not weaken our nation’s high consequence systems. Digital technologies offer many benefits in speed, cost, and flexibility, and we seek to reap those benefits without introducing new system failures. However, digital technologies cannot be evaluated the same way as analog technologies. Initiatives across the nation highlight the capability gap that prevents efficient, effective digital assurance. The Challenge Today’s digital assurance tools, techniques, and methods are inadequate to confidently characterize, assess, and manage digital risk; they are ad hoc, slow, costly, and rarely scalable to increasingly complex digital technologies. The rapidly evolving cyber threat landscape exacerbates this problem because digital assurance now must secure against digital risks now and in the future, including those introduced by rapidly evolving technologies, adversaries, and systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Dynamic Modeling of a Kaplan Hydroturbine Using Optimal Parametric Tuning and Real Plant Operational Data

To address grid variability caused by renewable energy integration and to maintain grid reliability and resilience, hydropower must quickly adjust its power generation over short time periods. This changing energy generation landscape requires advance technology integration and adaptive parameter optimization for hydropower systems via digital twin effort. However, this is difficult owing to the lack of characterization and modeling for the nonlinear nature of hydroturbines. To solve this issue, this paper first formulates a six-coefficient Kaplan hydroturbine model and then proposes a parametric optimization tuning framework based on the Nelder–Mead algorithm for adaptive dynamic learning of the six-coefficients so as to build models that describe the turbine. To assess the performance of the proposed optimal parametric tuning technique, operational data from a real-world Kaplan hydroturbine unit are collected and used to model the relationship between the gate opening and the generated power production. The findings show that the proposed technique can effectively and adaptively learn the unknown dynamics of the Kaplan hydroturbine while optimally tune the unknown coefficients to match the generated power output from the real hydroturbine unit with an inaccuracy of less than 5%. The method can be used to provides optimal tuning of parameters critical for controller design, operational optimization and daily maintenance for hydroturbines in general.

13 HYDRO ENERGY↗

NASA NTRS2001

Remote Sensing of Atlanta's Urban Sprawl and the Distribution of Land Cover and Surface Temperatures

Between 1973 and 1992, an average of 20 ha of forest was lost each day to urban expansion of Atlanta, Georgia. Urban surfaces have very different thermal properties than natural surfaces-storing solar energy throughout the day and continuing to release it as sensible heat well after sunset. The resulting heat island effect serves as catalysts for chemical reactions from vehicular exhaust and industrialization leading to a deterioration in air quality. In this study, high spatial resolution multispectral remote sensing data has been used to characterize the type, thermal properties, and distribution of land surface materials throughout the Atlanta metropolitan area. Ten-meter data were acquired with the Advanced Thermal and Land Applications Sensor (ATLAS) on May 11 and 12, 1997. ATLAS is a 15-channel multispectral scanner that incorporates the Landsat TM bands with additional bands in the middle reflective infrared and thermal infrared range. The high spatial resolution permitted discrimination of discrete surface types (e.g., concrete, asphalt), individual structures (e.g., buildings, houses) and their associated thermal characteristics. There is a strong temperature contrast between vegetation and anthropomorphic features. Vegetation has a modal temperature at about 20 C, whereas asphalt shingles, pavement, and buildings have a modal temperature of about 39 C. Broad-leaf vegetation classes are indistinguishable on a thermal basis alone. There is slightly more variability (plus or minus 5 C) among the urban surfaces. Grasses, mixed vegetation and mixed urban surfaces are intermediate in temperature and are characterized by broader temperature distributions with modes of about 29 C. Thermal maps serve as a basis for understanding the distribution of "hotspots", i.e., how landscape features and urban fabric contribute the most heat to the lower atmosphere.

Laymon, Charles A.↗