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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Enzymatic reduction of U60 nanoclusters by Shewanella oneidensis MR-1

Abstract In this study, a series of reduction experiments were conducted using a representative uranyl peroxide nanocluster, U60 (K 16 Li 44 [UO 2 (O 2 )OH] 60 ) and a bacterial species, Shewanella oneidensis MR-1 , that is capable of enzymatic U(VI) reduction. U60 was reduced by S. oneidensis in the absence of O 2 , but the reduction kinetics for U60 were significantly slower than was observed in this study for aqueous uranyl acetate, and were faster than was reported in previous studies for solid phase U(VI). Our results indicate that U60 aggregates bigger than 0.2 μm formed immediately upon mixing with the bacterial growth medium, and that these aggregates were gradually broken down during the process of reduction. Neither reduction nor dissolution of U60 was observed during 72 h of control experiments open to the atmosphere, indicating that the breakdown and dissolution of U60 aggregates is caused by the reduction of U60, and that S. oneidensis is capable of direct reduction of the U(VI) within the U60 nanoclusters, likely due to the adsorption of U60 aggregates onto bacterial cells. This study is first to show the reduction capacity of bacteria for uranyl peroxide nanoclusters, and the results yield a better understanding of the long term fate of uranium in environmental systems in which uranyl peroxide nanoclusters are present.

nuclear (including radiation effects), materials a↗
DOE OSTI2014

Final technical report for project titled Quantitative Characterization of Cell Aggregation/Adhesion as Predictor for Distribution and Transport of Microorganisms in Subsurface Environment

This project aims to explore and develop enabling methodology and techniques for nano-scale characterization of microbe cell surface contact mechanics, interactions and adhesion quantities that allow for identification and quantification of indicative properties related to microorganism migration and transport behavior in porous media and in subsurface environments. Microbe transport has wide impact and therefore is of great interest in various environmental applications such as in situ or enhanced subsurface bioremediation,filtration processes for water and wastewater treatments and protection of drinking water supplies. Although great progress has been made towards understanding the identities and activities of these microorganisms in the subsurface, to date, little is known of the mechanisms that govern the mobility and transport of microorganisms in DOE’s contaminated sites, making the outcomes of in situ natural attenuation or contaminant stability enhancement unpredictable. Conventionally, movement of microorganisms was believed to follows the rules governing solute (particle) transport. However, recent studies revealed that cell surface properties, especially those pertaining to cell attachment/adhesion and aggregation behavior, can cause the microbe behavior to deviate from non-viable particles and hence greatly influence the mobility and distribution of microorganisms in porous media.This complexity highlights the need to obtain detailed information of cell-cell and cell-surface interactions in order to improve and refine the conceptual and quantitative model development for fate and transport of microorganisms and contaminant in subsurface. Traditional cell surface characterization methods are not sufficient to fully predict the deposition rates and transport behaviors of microorganism observed. A breakthrough of methodology that would allow for quantitative and molecular-level description of intrinsic cell surface properties indicative for cell-surface interactions is essential for the field. To tackle this, we have developed a number of new Bio-nanomechanical techniques, including reflection interference contrast microscopy (RICM) and bio-AFM (Atomic Force Microscopy), for cell adhesion-detachment measurement of the long-range surface interactions, in combination with mathematical modeling, which would allow us to characterize the mechanical behavior from single cell to multi-cell aggregate, critical thresholds for large scale coaggregation and transportation of cells and aggregates in the presence of long range inter-surface forces etc. Although some technical and mathematical challenges remain, the preliminary results promise great breakthrough potential. In this study, we investigated the cellular surface characteristics of representative bio-remediating microorganisms relevant to DOE IFRC (Integrated Field-Scale Subsurface Research Challenges) sites and their transport behaviors in porous media, aiming to draw a groundbreaking correlation between the micro-scale genetic and biological origin-based cell surface properties, the consequent mechanical adhesion and aggregation behaviors, and the macro-scale microbial mobility and retention in porous media, which are unavailable in the literature. The long-term goal is to significantly improve the mechanistic and quantitative understanding of microbial mobility, sorption, and transport within reactive transport models as needed to manipulate subsurface contaminant fate and transport predictions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Net Metering and Market Feedback Loops: Exploring the Impact of Retail Rate Design on Distributed PV Deployment

The substantial increase in deployment of customer-sited solar photovoltaics (PV) in the United States has been driven by a combination of steeply declining costs, financing innovations, and supportive policies. Among those supportive policies is net metering, which in most states effectively allows customers to receive compensation for distributed PV generation at the full retail electricity price. The current design of retail electricity rates and the presence of net metering have elicited concerns that the possible under-recovery of fixed utility costs from PV system owners may lead to a feedback loop of increasing retail prices that accelerate PV adoption and further rate increases. However, a separate and opposing feedback loop could offset this effect: increased PV deployment may lead to a shift in the timing of peak-period electricity prices that could reduce the bill savings received under net metering where time-varying retail electricity rates are used, thereby dampening further PV adoption. In this paper, we examine the impacts of these two competing feedback dynamics on U.S. distributed PV deployment through 2050 for both residential and commercial customers, across states. Our results indicate that, at the aggregate national level, the two feedback effects nearly offset one another and therefore produce a modest net effect, although their magnitude and direction vary by customer segment and by state. We also model aggregate PV deployment trends under various rate designs and net-metering rules, accounting for feedback dynamics. Our results demonstrate that future adoption of distributed PV is highly sensitive to retail rate structures. Whereas flat, time-invariant rates with net metering lead to higher aggregate national deployment levels than the current mix of rate structures (+5% in 2050), rate structures with higher monthly fixed customer charges or PV compensation at levels lower than the full retail rate can dramatically erode aggregate customer adoption of PV (from -14% to -61%, depending on the design). Moving towards time-varying rates, on the other hand, may accelerate near- and medium-term deployment (through 2030), but is found to slow adoption in the longer term (-22% in 2050).

14 SOLAR ENERGY↗
DOE OSTI2016

Improving the Representation of Soluble Iron in Climate Models

Mineral dust produced in the arid and semi-arid regions of the world is the dominant source of iron (Fe) in atmospheric aerosol inputs to the open ocean. The bioavailable Fe fraction of atmospheric dust is thought to regulate and occasionally limit the primary productivity in large oceanic regions, which influences the CO2 uptake from the atmosphere affecting the Earth’s climate. Because Fe bioavailability cannot be directly measured, it is assumed that the dissolved Fe or highly reactive Fe in the dust is bioavailable. The fraction of soluble Fe in dust is mainly controlled by: (1) the mineral composition of the soils and the emitted dust from the source areas; (2) the atmospheric processing that converts the Fe in Fe-bearing minerals into highly soluble forms of Fe. The project has mainly focused on constraining the mineral composition of dust aerosols (1), a previously neglected, yet a key issue to constrain the deposition of soluble iron. Deriving aerosol mineral composition requires global knowledge of the soil mineral content, which is available from poorly constrained global atlases. In addition, the mineral content of the emitted aerosol differs from that of the parent soil. Measurements of soil mineral fractions are based upon wet sedimentation (or ’wet sieving’) techniques that disturb the soil sample, breaking aggregates that are found in the original, undispersed soil that is subject to wind erosion. Wet sieving alters the soil size distribution, replacing aggregates that are potentially mobilized as aerosols with a collection of smaller particles. A major challenge is to derive the size-distributed mineral fractions of the emitted dust based upon their fractions measured from wet-sieved soils. Finally, representations of dust mineral composition need to account for mixtures of minerals. Examination of individual particles shows that iron, an element that is central to many climate processes, is often found as trace impurities of iron oxide attached to aggregates of other minerals. This is another challenge that has been tackled by the project. The project has produced a major step forward on our understanding of the key processes needed to predict the mineral composition of dust aerosols by connecting theory, modeling and observations. The project has produced novel semi-empirical and theoretical methods to estimate the emitted size distribution and mineral composition of dust aerosols. These methods account for soil aggregates that are potentially emitted from the original undisturbed soil but are destroyed during wet sieving. The methods construct the emitted size distribution of individual minerals building upon brittle fragmentation theory, reconstructions of wet-sieved soil mineral size distributions, and/or characteristic mineral size distributions estimated from observations at times of high concentration. Based on an unprecedented evaluation with a new global compilation of observations produced with the project support, we showed that the new methods remedy some key deficiencies compared to the previous state-of-the-art. This includes the correct representation of Fe-bearing phyllosilicates at silt sizes, where they are abundant according to observations. In addition, the quartz fraction of silt particles is in better agreement with measured values. In addition, we represent an additional class of iron oxide aerosol that is a small impurity embedded within other minerals, allowing it to travel farther than in its pure crystalline state. We assume that these impurities are least frequent in soils rich in iron oxides (as a result of the assumed effect of weathering that creates pure iron oxide crystals). The mineral composition of dust is also important to other interaction with climate - through shortwave absorption and radiative forcing, nucleation of cloud droplets and ice crystals, and the heterogeneous formation of sulfates and nitrates - and to its impacts upon human health. Despite the importance of mineral composition, models have typically assumed that soil dust aerosols have globally uniform composition. The results of this project will allow an improved estimation of the dust effects upon climate and health.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Enhancement of Structural Health Monitoring Framework by Optimizing Vibro-Acoustic Modulation Technique to Localize Alkali-Silica Reaction Degradation in Medium-Sized Concrete Samples

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Health monitoring of concrete structures is performed to understand the current condition of a structure based on heterogeneous measurements and then produce high confidence actionable information regarding structural integrity. This information can then be used to support operational and maintenance decisions. The objectives of this ongoing research project focus on health monitoring and data analytics of concrete slabs containing reactive aggregates and thus subjected to degradation due to alkali-silica reaction (ASR). A controlled concrete slab with four pockets of reactive aggregates (pure silica, wells, placitas, and spratt) was cast at Vanderbilt University and cured in representative conditions to accelerate degradation due to ASR. A set of four concrete samples were also cast and cured at the University of Alabama for ASR testing. Of these four samples, two slabs contained reactive aggregates while the other two had the non-reactive aggregate counterparts mixed throughout the samples. Vibro-acoustic methods were used on these slabs to locate large pockets of ASR within the reactive samples and determine the effects of rebar using the non-reactive slabs. Vibro-acoustic modulation (VAM) is a vibration-based NDE method that utilizes signatures of nonlinear dynamic interactions on contact surfaces of crack or delamination damage to detect and localize the damage. VAM analysis was conducted on both Vanderbilt and Alabama’s samples using multiple variables for damage detection and localization. The results from the data analysis of the NDE vibro-acoustic techniques on concrete slabs cured at Vanderbilt University and the University of Alabama are discussed in detail in this report. The major outcome of the analysis suggests that the VAM method can be used to detect damage within the concrete samples by comparing the results found in different sections of the samples. Results for damage localization are dependent on multiple variables used in the vibro-acoustic modulation experiments. Digital image correlation (DIC) is a three-dimensional, full-field, optical NDE technique to measure contour, deformation, vibration, and strain. The application of the digital image correlation technique to study ASR-related degradation on a large concrete sample at the University of Tennessee Knoxville is discussed and observations are presented in this report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Uncertainty Quantification in Vibro-Acoustics Diagnosis of Alkali-Silica Reaction Degradation in Medium-Sized Concrete Samples

The objectives of this ongoing research project focus on health monitoring and data analytics of concrete slabs containing reactive aggregates and thus subjected to degradation due to alkali-silica reaction (ASR). A controlled concrete slab with four pockets of reactive aggregates (pure silica, wells, placitas, and spratt) was cast at Vanderbilt University and cured in representative conditions to accelerate degradation due to ASR. A set of four concrete samples were also cast and cured at the University of Alabama for ASR testing. Of these four samples, two slabs contained reactive aggregates while the other two had the non-reactive aggregate counterparts mixed throughout the samples. Vibro-acoustic testing was used on these slabs to locate ASR damage within the reactive samples. Vibro-acoustic modulation (VAM) is a vibration-based NDE method that utilizes signatures of nonlinear dynamic interactions on contact surfaces of crack or delamination damage to detect and localize the damage. VAM analysis was conducted on both the Vanderbilt and Alabama samples using multiple variables for damage detection and localization. The results from the data analysis of the vibro-acoustic testing on concrete slabs cured at Vanderbilt University and the University of Alabama are discussed in detail in this report. Results for damage localization are dependent on multiple variables used in the vibro-acoustic modulation experiments. A major focus of this report is to quantify the uncertainty in the diagnosis due to multiple factors and uncertainty sources. The uncertainty quantification methodology presented in this report was applied to VAM-based diagnosis and prognosis. However, the methodology is general, and is capable of being applied to multiple technique that collect spatially distributed data. Future work needs to investigate the incorporation of uncertainty quantification in developing a robust Prognostics and Health Management framework. Digital image correlation is a three-dimensional, full-field, optical NDE technique to measure contour, deformation, vibration, and strain. The application of the digital image correlation technique to study ASR-related degradation on a large concrete specimen at the University of Tennessee is discussed and observations are presented in this report.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Environmental Effects Assessment for Proposed Offshore Wind Farm off the Coast of Grays Harbor, Washington

Grays Harbor Wind LLC (GHW) is proposing to develop a floating offshore wind farm offshore of west Grays Harbor County, Washington (Grays Harbor). The proposed GHW Offshore Wind Project (Project) would entail construction, installation and operation of a 1,000-megawatt (MW) offshore wind farm consisting of approximately 75 floating units, each containing a floating foundation and wind turbine generator (WTG). The Project location is approximately 25 miles (21.7 nautical miles [nmi]) offshore west of Grays Harbor, at waters depths of 360 to 700 feet. The Pacific Northwest National Laboratory (PNNL) was contracted by Herrera Environmental Consultants, Inc. on behalf of GHW to carry out this preliminary scoping study to evaluate baseline conditions and potential effects on fish and marine mammals from development and operation of a floating offshore wind farm installed within a designated area off the coast of Washington1. Floating offshore wind units installed in an ocean environment as part of the Project would interact with marine wildlife. This Study report provides an initial data aggregation and analysis, using publicly available data, of the Project effects, both negative and positive, on the marine environment. The scope of this assessment is limited by the fact that the Project development is presently at the conceptual level. Data on marine organisms were aggregated and evaluated; however seabirds were evaluated by Herrera Environmental Consulting and, along with bats, were not included in the scope of this study. Significant additional work is necessary to characterize ocean, seafloor, and environmental conditions; select appropriate floating offshore wind technologies; identify construction methods and locations; and assess facility locations, including electrical interconnection. Data aggregation and analysis of seabirds and bats is also needed. Evaluation of the full range of potential environmental effects would be conducted following an award of a lease from the Bureau of Ocean Energy Management (BOEM) as part of the leasing, National Environmental Policy Act (NEPA)/State Environmental Policy Act (SEPA) environmental review and permitting processes. While this initial data aggregation and analysis uses best available public scientific information and current assumptions about the Project configuration, the effects discussed herein are based on the status of review to-date and may change as Project-specific details are developed.

17 WIND ENERGY↗
DOE OSTI2018

The Building ENergy Demand (BEND) Model: A Comprehensive Composite Building Energy Modeling Framework

The Building ENergy Demand (BEND) model was developed at Pacific Northwest National Laboratory (PNNL) to simulate climate-dependent hourly building energy demand with the ability to disaggregate down to or aggregate up to any geographic area of interest, including counties, states, electric utility service territories, and census regions. The BEND modeling framework is designed to study the effects of climate change, economics, technology advancement, and various mitigation policies on aggregate building energy demand. To make the process computationally feasible, BEND reduces granularity in building characteristics and weather forcing while maintaining enough detail to minimize systematic differences (biases) between BEND results and data from the Energy Information Administration (EIA). Based on the Commercial Building Energy Consumption Survey (CBECS) and Residential Energy Consumption Survey (RECS) databases, BEND establishes a set of representative buildings with predefined sets of building types, sizes, and vintages. These representative buildings are defined for each of the four U.S. census regions and the five climate zones used by the EIA for building surveys (hereafter “EIA climate zones”). BEND’s representative buildings are based on a statistical analysis of the CBECS and RECS databases that infers detailed parameters such as construction type, thermal properties, internal loads, equipment and mechanical systems, and operation schedules from the high-level descriptors in those databases (building type, vintage, size, and location). The representative buildings are simplified and consolidated into a set of prototype buildings for the purpose of simulating building energy demand. Combining the prototype buildings with weather files from selected locations and years, BEND creates a set of simulation-ready building models to be run using the EnergyPlus simulation engine (EnergyPlus). The base spatial unit of each BEND simulation is a subregion that is the intersection of an International Energy Conservation Code climate zone, a census region, and an EIA climate zone; analysis for each spatial unit is influenced by the weather file BEND selects to represent the climate-similar area. The major simulation outputs of interest to BEND are hourly energy consumption values for each simulated year, possibly for multiple fuel types. Based on building-stock weights derived from the CBECS/RECS data, the hourly output streams are aggregated to a single, 8760-hour load profile for each of the major building categories—residential and commercial—with the possibility of segregating by fuel types. To correct for biases inherent in the use of a limited suite of representative buildings, BEND is calibrated against observational targets of total annual building energy consumption and hourly load profiles (including peak demand) obtained for the decision-relevant geographic scales of interest (e.g., total electric load data for individual balancing authorities available from EIA). Based on available data such as population distribution, BEND is able to aggregate both up and down scales, allowing the study of building energy demand over a range of spatial scales (e.g., states or counties within the Western Electricity Coordinating Council, Eastern Interconnection, or the entire U.S.) and/or subsets of building types (e.g., office buildings with particular size ranges).

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Overcoming the Technical Challenges of Coordinating Distributed Load Resources at Scale (Final Report)

Significant recent research has investigated the potential for loads to provide balancing services to the grid. However, this research has not addressed key issues that may arise when such schemes are applied at scale including: 1. Distribution Network Issues. Coordination of large numbers of loads could result in power flows that violate distribution network constraints; 2. Stability Issues. Certain strategies to control loads can exhibit nonlinearity in the form of period-adding bifurcations and chaos. Other control strategies can potentially synchronize the behavior of large numbers of loads. In both cases, the outcome can be power oscillations and instability; 3. Communication Network Issues. Bidirectional low-latency communication channels between a central controller (or several distributed controllers) and each resource are expensive and likely not necessary for effective coordination. Our research questions were: What network, stability, and communication issues might arise in practice when we coordinate large aggregations of loads? How can we coordinate loads to achieve performance objectives in a cost effective manner while avoiding these issues? The ultimate technical goal of the project was the development of network-aware, communication-constrained, non-disruptive load control strategies with stability guarantees that achieve the performance requirements of typical balancing services at a sufficiently low cost to enable the load aggregator and customer to profit. The overall goal was to establish credibility for load control at scale and contribute to U.S. energy security and environmental goals. The team succeeded in answering these research questions and developing these control strategies. The overall approach was based on the development of three testing environments: a simulation testbed, an experimental testbed (20 physical model houses with window-box air conditioners) coupled with the simulation testbed, and a field testbed (100 actual homes in Austin, TX) coupled with the simulation testbed, which enabled controller testing, identification of issues, controller development, and controller validation. The resulting controller was used to demonstrate fast timescale grid balancing (frequency regulation) by aggregations of physical and virtual air conditioners, with sufficient quality to participate in the electricity market. Cost benefit analysis showed overall benefits to the participating households, load aggregators, and the grid, especially if the control technology was integrated directly into existing programmable communicating thermostats. The project provides a variety of wider benefits. Our technology transfer and outreach activities lead us to choose an open-source licensing commercialization pathway, enabling the project results to be available to researchers, industry, and the public. Furthermore, new grid balancing technologies will increase grid flexibility and will enable higher penetrations of intermittent renewable energy resources, such as wind and solar, to be connected to the grid, reducing its environmental impact, and mitigating climate change to the benefit of society.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

FERC Order No. 2222 and Considerations for Distributed Wind

The Federal Energy Regulatory Commission (FERC) issued Order No. 2222 in October 2020. The rule directs Regional Transmission Organizations and Independent System Operators (ISOs) to amend their tariffs and participation models to accommodate heterogeneous distributed energy resource (DER) aggregations in the wholesale energy markets that they operate, including capacity, energy, and ancillary service markets. The Commission issued the rule to better capture the benefits provided by DERs deployed in the United States, whose use has been expanding rapidly. The Commission defines DERs as “any resource located on the distribution system, any subsystem thereof or behind a customer meter,” including but not limited to “electric storage resources, distributed generation, demand response, energy efficiency, thermal storage, and electric vehicles and their supply equipment.” The rule aims to increase DER participation in wholesale markets by allowing the creation of DER aggregations, in which multiple DERs that are too small to meet minimum capacity requirements for wholesale markets individually would be able to participate in markets as a single unit. As of June 20, 2023, all ISOs have filed initial compliance plans and a number have begun implementation. Compliance dates range from 2024 to 2029, with Midcontinent ISO having the latest date of compliance proposed for 2029. Southwest Power Pool still has an outstanding date, having no final order yet from FERC, but a target date of the third quarter of calendar year 2025. The rule, which is technology agnostic and requires ISOs to create participation plans that accommodate different DERs, provides an opportunity for distributed wind market expansion. In addition, distributed wind can bring benefits to heterogenous DER aggregations. These benefits include resource diversity (i.e., a complementary generation profile to other types of distributed generation), its small footprint and ability to be co-located with load, and its potential to provide frequency response, voltage support, and black start services, among other ancillary services. This report provides a status update on FERC Order No. 2222, the current state of ISO compliance, and information relevant to the distributed wind industry as DER aggregators and other stakeholders expand their participation to wholesale energy markets.

17 WIND ENERGY↗
DOE OSTI2024

Distributed Wind and Impacts of FERC Order No. 2222 Implementation

In September of 2020, FERC issued Order No. 2222, directing ISOs to adjust their long-standing tariffs and participation models to enable the operation of distributed energy resource (DER) aggregators in wholesale energy markets. The rule sought to bring wholesale markets under its jurisdiction up to speed with existing expansion of DERs across the United States and to capture the potential benefits that these technologies can provide. This report describes the implementation of FERC Order No. 2222 and the compliance plans that have been submitted so far, attempt to understand the potential impact the rule may have on distributed wind, and provide opportunities for future work to analyze and encourage deployment under these policy conditions. There is an information gap for the type of market interactions distributed wind may have or how it could be best deployed in DER aggregations under future market conditions. There is significant potential for profitable deployment of distributed wind in states that are served by ISOs and covered under Order No. 2222. Distributed wind and other DERs provide local energy that does not need to travel those distances and avoids the losses typically associated with long-distance energy transmission. Deployment of distributed wind can benefit communities that exist away from large load centers by providing local, clean, and affordable energy. Aggregating DERs that include distributed wind could provide these benefits across multiple far-ranging communities if they have access to participate in wholesale markets. A new baseline valuation of distributed wind in areas covered by Order No. 2222 is required to accurately gauge where it is profitable and how it can compete or complement existing or future DER deployment, including as part of an aggregate.

17 WIND ENERGY↗
DOE OSTI2025

Initial Mobility Analysis for ORNL VA-EDH Synthetic Populations

Travel burdens are a major barrier to healthcare access among US Veteran patient populations, particularly those residing in rural areas. Spatial accessibility to points of care for US Veteran populations is commonly assessed in two ways. The first approach uses open data from the US Census to represent collective travel burdens, for example the distance between population-weighted census tract centroids and VHA points of care. The second approach uses restricted-access VHA patient data to measure travel costs (e.g., distance, time) for accessing points of care with respect to geolocated patient addresses and real or approximated transportation networks. While the advantage of the open data approach lies in its reproducibility, it has notable limitations in its tendency to infer individual travel behavior from aggregate population characteristics, a problem known as ecological fallacy. Conversely, while the patient data approach is able to account for individual travel behavior, its ability to account for localized access disparities (e.g., a neighborhood with exceptionally high transportation costs) and patient demographics is limited as protecting individual patient data requires their storage in closed systems with limited capacity for adequately modeling real-world travel patterns or for supplementing patient attributes. Additionally, the patient data approach cannot account for veterans who are not enrolled in the VHA system but who may be eligible for care. These challenges limit the ability to perform “what if” analyses on the effects of place-specific interventions on veteran populations with high access barriers to healthcare. To address these challenges, we explore the application of realistic synthetic populations to examine travel burdens and spatial accessibility issues among veteran patient populations. Synthetic populations provide a virtual, individually-resolved and cross-sectional representation of the veteran patient population that enables investigation of spatial access to points of care in ways in which aggregate data and patient data do not. First, synthetic populations allow one to directly assess how individuals access points of care, from synthesized residential locations to outpatient facilities on real-world transportation networks. Modeling access to points of care at the individual scale addresses the ecological fallacy problem associated with using aggregated census data to represent veteran populations and patterns of movement. Second, synthetic populations provide a means of completely representing an area’s veteran population using only publicly available, anonymized census microdata from the American Community Survey (ACS) to ensure the privacy of real-world individuals. Generating synthetic populations from the ACS also expands descriptive characteristics beyond what patient data typically offers to include socio-demographic, economic, housing, and mobility attributes. More detailed profiles of both VHA patient populations and veterans not enrolled in the VA system will provide a comprehensive picture of groups that may benefit from interventions or outreach. As an initial exercise for using synthetic populations to measure veteran travel burdens to VA care, we apply Oak Ridge National Laboratory’s (ORNL) UrbanPop capability to generate a series of synthetic VHA patient populations for 9 Veterans Integrated Services Networks (VISN) market areas in 9 Census Divisions across the continental United States, which are listed in Table 1. We use UrbanPop to produce synthetic populations for the VISN markets selected for each US Census Division, then assign VA outpatient clinic destinations to synthetic VHA patients based on travel about each VISN market’s road network. To demonstrate using the synthetic populations to evaluate healthcare travel burdens, we compare the time-based impedance between simulated home locations and VA outpatient clinics in each VISN market. We then perform validation exercises on the synthetic populations with respect to neighborhood (block group) demographic composition as well as patient mobility, comparing aggregate origin-destination statistics for the synthetic population to outpatient visits available in restricted patient data from the VA’s Corporate Data Warehouse (CDW) database.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Radiation-induced Alteration of Meta-chert

Concrete aggregate identified as “meta-chert” was irradiated with gamma-rays and neutrons. To identify the volume expansion of the aggregate under neutron irradiation, herein the following analyses were performed for pristine and irradiated α-quartz and meta-chert: X-ray diffraction (XRD)/Rietveld analysis, dimension change, water pycnometry, He-pycnometry, light optical microscopy (LOM), and scanning electron microscopy (SEM). From the difference of volume expansion observed from dimension change and water / helium pycnometry, the crack opening inside the aggregate subjected to irradiation was elucidated, and this was confirmed by LOM and SEM analysis. The crack contribution to the expansion of the aggregate was significant for neutron fluence > 6.99 × 1019 n/cm 2 , for E ≥ 0.01 MeV. Based on the XRD analysis, changes in lattice parameters were identified and the cell volume expansion was compared with the data by helium pycnometry. Based on the density change calculation and phase calculation data, the density of X-ray amorphous phase was consistent with that of expanded crystal α-quartz.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Assessing individual movement, habitat use, and behavior of non-breeding marine birds in relation to prey availability in the US Atlantic

Resource availability is a key factor driving marine bird movements and distributions, but direct information on prey availability is difficult to obtain at relevant scales. We present novel methods for describing multi-scale trophic associations, combining movement analyses of marine birds with estimates of forage fish surface aggregations from digital aerial survey data and species occupancy from bottom trawl survey data. We analyzed satellite telemetry data from northern gannets Morus bassanus , red-throated loons Gavia stellata , and long-tailed ducks Clangula hyemalis in the US Atlantic during the non-breeding period. Using discrete-time hidden Markov models to distinguish area-restricted (i.e. putative foraging) from transit movements, we examined how environmental factors influence movement, and how forage fish species distributions and surface aggregations influence habitat use by gannets and loons that have greater dietary reliance. Our results suggest that chlorophyll a concentration significantly affected movement behavior across species, highlighting the importance of higher-productivity areas around estuaries during colder months when regional productivity is low. Though variable across species and seasons, spatial cross-correlation analysis revealed that herring species (Family Clupeidae), including Atlantic menhaden Brevoortia tyrannus , may be important resources; it also showed positive spatial correlations with forage fish aggregations. This suggests that prey patch dynamics and factors driving aggregation formation may be as important as species composition. However, spatial patterns were generally low (<0.3), suggesting a mismatch in spatiotemporal resolution, exemplifying the challenges in quantifying trophic relationships in marine systems. Disentangling predator-prey relationships is critical to understanding the mechanisms driving marine bird behavior in rapidly changing marine systems.

Environmental Sciences & Ecology↗
DOE OSTI2023

Effect of Substituent Location on the Relationship between the Transition Dipole Moments, Difference Static Dipole, and Hydrophobicity in Squaraine Dyes for Quantum Information Devices

Aggregates of organic dyes that exhibit excitonic coupling have a wide array of applications, including medical imaging, organic photovoltaics, and quantum information devices. The optical properties of a dye monomer, as a basis of dye aggregate, can be modified to strengthen excitonic coupling. Squaraine (SQ) dyes are attractive for those applications due to their strong absorbance peak in the visible range. While the effects of substituent types on the optical properties of SQ dyes have been previously examined, the effects of various substituent locations have not yet been investigated. In this study, density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to investigate the relationships between SQ substituent location and several key properties of the performance of dye aggregate systems, namely, difference static dipole (Δd), transition dipole moment (μ), hydrophobicity, and the angle (θ) between Δd and μ. We found that attaching substituents along the long axis of the dye could increase μ while placement off the long axis was shown to increase Δd and reduce θ. The reduction in θ is largely due to a change in the direction of Δd as the direction of μ is not significantly affected by substituent position. Hydrophobicity decreases when electron-donating substituents are located close to the nitrogen of the indolenine ring. These results provide insight into the structure–property relationships of SQ dyes and guide the design of dye monomers for aggregate systems with desired properties and performance.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Accuracy, Bias, and Improvements in Mapping Crops and Cropland across the United States Using the USDA Cropland Data Layer

The U.S. Department of Agriculture’s (USDA) Cropland Data Layer (CDL) is a 30 m resolution crop-specific land cover map produced annually to assess crops and cropland area across the conterminous United States. Despite its prominent use and value for monitoring agricultural land use/land cover (LULC), there remains substantial uncertainty surrounding the CDLs’ performance, particularly in applications measuring LULC at national scales, within aggregated classes, or changes across years. To fill this gap, we used state- and land cover class-specific accuracy statistics from the USDA from 2008 to 2016 to comprehensively characterize the performance of the CDL across space and time. We estimated nationwide area-weighted accuracies for the CDL for specific crops as well as for the aggregated classes of cropland and non-cropland. We also derived and reported new metrics of superclass accuracy and within-domain error rates, which help to quantify and differentiate the efficacy of mapping aggregated land use classes (e.g., cropland) among constituent subclasses (i.e., specific crops). We show that aggregate classes embody drastically higher accuracies, such that the CDL correctly identifies cropland from the user’s perspective 97% of the time or greater for all years since nationwide coverage began in 2008. We also quantified the mapping biases of specific crops throughout time and used these data to generate independent bias-adjusted crop area estimates, which may complement other USDA survey- and census-based crop statistics. Our overall findings demonstrate that the CDLs provide highly accurate annual measures of crops and cropland areas, and when used appropriately, are an indispensable tool for monitoring changes to agricultural landscapes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

The First Fermi LAT Supernova Remnant Catalog

To uniformly determine the properties of supernova remnants (SNRs) at high energies, we have developed the first systematic survey at energies from 1 to 100 GeV using data from the Fermi Large Area Telescope (LAT). Based on the spatial overlap of sources detected at GeV energies with SNRs known from radio surveys, we classify 30 sources as likely GeV SNRs. We also report 14 marginal associations and 245 flux upper limits. A mock catalog in which the positions of known remnants are scrambled in Galactic longitude allows us to determine an upper limit of 22% on the number of GeV candidates falsely identified as SNRs. We have also developed a method to estimate spectral and spatial systematic errors arising from the diffuse interstellar emission model, a key component of all Galactic Fermi LAT analyses. By studying remnants uniformly in aggregate, we measure the GeV properties common to these objects and provide a crucial context for the detailed modeling of individual SNRs. Combining our GeV results with multiwavelength (MW) data, including radio, X-ray, and TeV, we demonstrate the need for improvements to previously sufficient, simple models describing the GeV and radio emission from these objects. We model the GeV and MW emission from SNRs in aggregate to constrain their maximal contribution to observed Galactic cosmic rays.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1978

On the origin of isolated olivine grains in type 2 carbonaceous chondrites

Two possibilities exist for the origin of aggregates and isolated grains in C2 meteorites: (1) high-temperature phases that condensed directly from a solar nebular gas accumulated as aggregates and single grains on the parent bodies of carbonaceous chondrites and remained unaltered since, or (2) all high-temperature phases in these meteorites are now, or once were, insided chondrules and have been melted out. Petrographic evidence for these two alternative models is examined critically. Four different scenarios to account for the kinds of aggregates and isolated grains in the Murchison C2 meteorite are studied. It is concluded that the majority of isolated olivine grains in the matrix never underwent melting in a chondrule-making stage. These crystal fragments and aggregates can thus be accounted for by direct condensation from a solar nebular gas.

Olsen, E.↗