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Direct atomic-level insight into the active sites of a high-performance PGM-free ORR catalyst

Platinum group metal–free (PGM-free) metal-nitrogen-carbon catalysts have emerged as a promising alternative to their costly platinum (Pt)–based counterparts in polymer electrolyte fuel cells (PEFCs) but still face some major challenges, including (i) the identification of the most relevant catalytic site for the oxygen reduction reaction (ORR) and (ii) demonstration of competitive PEFC performance under automotive-application conditions in the hydrogen (H 2 )–air fuel cell. We demonstrate H 2 -air performance gains achieved with an iron-nitrogen-carbon catalyst synthesized with two nitrogen precursors that developed hierarchical porosity. In current densities recorded in the kinetic region of cathode operation, at fuel cell voltages greater than ~0.75 V, were the same as those obtained with a Pt cathode at a loading of 0.1 milligram of Pt per centimeter squared. The catalytic active site we proposed, carbon-embedded nitrogen-coordinated iron (FeN 4 ), was directly visualized with aberration-corrected scanning transmission electron microscopy, and the contributions of these active sites associated with specific lattice-level carbon structures were explored computationally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Challenges of Achieving 2012 IECC Air Sealing Requirements in Multifamily Dwellings

​While previous versions of the International Energy Conservation Code (IECC) have included provisions to improve the air tightness of dwellings, for the first time, the 2012 IECC mandates compliance verification through blower door testing. Simply completing the Air Barrier and Insulation Installation checklist through visual inspection is no longer sufficient by itself. In addition, the 2012 IECC mandates a significantly stricter air sealing requirement. In Climate Zones 3 through 8, air leakage may not exceed 3 ACH50, which is a significant reduction from the 2009 IECC requirement of 7 ACH50. This requirement is for all residential buildings, which includes low-rise multifamily dwellings. While this air leakage rate requirement is an important component to achieving an efficient building thermal envelope, currently, the code language doesn't explicitly address differences between single family and multifamily applications. In addition, the 2012 IECC does not provide an option to sample dwellings for larger multifamily buildings, so compliance would have to be verified on every unit. With compliance with the 2012 IECC air leakage requirements on the horizon, several of CARB's multifamily builder partners are evaluating how best to comply with this requirement. Builders are not sure whether it is more practical or beneficial to simply pay for guarded testing or to revise their air sealing strategies to improve compartmentalization to comply with code requirements based on unguarded blower door testing. This report summarizes CARB's research that was conducted to assess the feasibility of meeting the 2012 IECC air leakage requirements in 3 multifamily buildings.

&#8203↗

Challenges of Achieving 2012 IECC Air Sealing Requirements in Multifamily Dwellings

While previous versions of the International Energy Conservation Code (IECC) have included provisions to improve the air tightness of dwellings, for the first time, the 2012 IECC mandates compliance verification through blower door testing. Simply completing the Air Barrier and Insulation Installation checklist through visual inspection is no longer sufficient by itself. In addition, the 2012 IECC mandates a significantly stricter air sealing requirement. In Climate Zones 3 through 8, air leakage may not exceed 3 ACH50, which is a significant reduction from the 2009 IECC requirement of 7 ACH50. This requirement is for all residential buildings, which includes low-rise multifamily dwellings. While this air leakage rate requirement is an important component to achieving an efficient building thermal envelope, currently, the code language doesn't explicitly address differences between single family and multifamily applications. In addition, the 2012 IECC does not provide an option to sample dwellings for larger multifamily buildings, so compliance would have to be verified on every unit. With compliance with the 2012 IECC air leakage requirements on the horizon, several of Consortium for Advanced Residential Building's (CARB’s) multifamily builder partners are evaluating how best to comply with this requirement. Builders are not sure whether it is more practical or beneficial to simply pay for guarded testing or to revise their air sealing strategies to improve compartmentalization to comply with code requirements based on unguarded blower door testing. This report summarizes CARB's research that was conducted to assess the feasibility of meeting the 2012 IECC air leakage requirements in 3 multifamily buildings.

2012 IECC↗

Building America Case Study: Challenges of Achieving 2012 IECC Air Sealing Requirements in Multifamily Dwellings, Upstate New York (Fact Sheet)

While previous versions of the International Energy Conservation Code (IECC) have included provisions to improve the air tightness of dwellings, for the first time, the 2012 IECC mandates compliance verification through blower door testing. Simply completing the Air Barrier and Insulation Installation checklist through visual inspection is no longer sufficient by itself. In addition, the 2012 IECC mandates a significantly stricter air sealing requirement. In Climate Zones 3 through 8, air leakage may not exceed 3 ACH50, which is a significant reduction from the 2009 IECC requirement of 7 ACH50. This requirement is for all residential buildings, which includes low-rise multifamily dwellings. While this air leakage rate requirement is an important component to achieving an efficient building thermal envelope, currently, the code language doesn't explicitly address differences between single family and multifamily applications. In addition, the 2012 IECC does not provide an option to sample dwellings for larger multifamily buildings, so compliance would have to be verified on every unit. With compliance with the 2012 IECC air leakage requirements on the horizon, several of CARB's multifamily builder partners are evaluating how best to comply with this requirement. Builders are not sure whether it is more practical or beneficial to simply pay for guarded testing or to revise their air sealing strategies to improve compartmentalization to comply with code requirements based on unguarded blower door testing. This report summarizes CARB's research that was conducted to assess the feasibility of meeting the 2012 IECC air leakage requirements in 3 multifamily buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A High Energy–Density, Cobalt–Free, Low–Nickel LiNi 0.7 Mn 0.25 Al 0.05 O 2 Cathode with a High–Voltage Electrolyte for Lithium–Metal Batteries

Cobalt-free cathode materials have garnered increased attention for applications in next-generation batteries for electric vehicles, as cobalt is considered to have at a high supply chain risk. Here, the use of a localized saturated electrolyte (LSE) to enable stable cycling of a cobalt-free, low-nickel layered-oxide cathode LiNi 0.7 Mn 0.25 Al 0.05 O 2 (NMA-70) to higher voltages (4.6 V) in a lithium-metal battery is demonstrated. Compared to the baseline LP57 electrolyte, the LSE extends the cycle life from ≈100 cycles to ≈400 cycles before reaching 80% capacity retention. Visual indicators of cell degradation, such as product deposition, are observed on electrodes cycled in LP57. It is shown that cycling NMA-70 in LSE reduces the overall active material loss and overpotential growth during extended cycling. This is attributed to the formation of a beneficial fluorinated interphase layer, a lower degree of rock-salt phase formation, and a reduction in the gas evolution from the cathode surface. The decrease in gas evolution from the cathode cycled in LSE reflects a lower degree of electrolyte reactivity and an overall improvement in the safety characteristics of the cell. Furthermore, this study highlights the importance of a stable electrolyte to enable the high-voltage cycling of alternative, lower nickel, and cobalt-free cathodes.

25 ENERGY STORAGE↗

Energy-water interdependencies across the three major United States electric grids: A multi-sectoral analysis

As water availability and timing of delivery fluctuates and the US electric grid sees rapid transformation and reconfiguration under decarbonization and resource adequacy strategies, there is a critical need for information and data that supports understanding the water-energy interdependency landscape. The United States currently lacks comprehensive data, informative visualizations, and analysis of energy-water interdependencies at scales necessary to support resource and operational decision-making. This article provides US electricity interconnection-level Sankey diagrams that show the relative reliance of water and energy across various economic sectors. A deeper analysis is additionally provided at the county level to illustrate trends and potential opportunities related to resiliency and efficiency in multi-sectoral water and energy flow distributions and intensities. We find that the electricity interconnections in the US vary dramatically in their water and energy interdependencies across applications and economic sectors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Experimental study of {sup 99m}Tc-aluminum oxide use for sentinel lymph nodes detection

The purpose of the study was a comparative research in the possibility of using the radiopharmaceuticals {sup 99m}Tc-Al{sub 2}O{sub 3} and {sup 99m}Tc-Nanocis for visualizing sentinel lymph nodes. The measurement of the sizes of {sup 99m}Tc-Al{sub 2}O{sub 3} and {sup 99m}Tc-Nanocis colloidal particles was performed in seven series of radiopharmaceuticals. The pharmacokinetics of {sup 99m}Tc-Al{sub 2}O{sub 3} and {sup 99m}Tc-Nanocis was researched on 50 white male rats. The possibility of the use of {sup 99m}Tc-Al{sub 2}O{sub 3} and {sup 99m}Tc-Nanocis for lymphoscintigraphy was studied in the experiments on 12 white male rats. The average dynamic diameter of the sol particle was 52–77 nm for {sup 99m}Tc-Al{sub 2}O{sub 3} and 16.7–24.5 nm for {sup 99m}Tc-Nanocis. Radiopharmaceuticals accumulated in the inguinal lymph node in 1 hour after administration; the average uptake of {sup 99}mTc-Al{sub 2}O{sub 3} was 8.6% in it, and the accumulation of {sup 99m}Tc-Nanocis was significantly lower—1.8% (p < 0.05). In all study points the average uptake of {sup 99m}Tc-Al{sub 2}O{sub 3} in the lymph node was significantly higher than {sup 99m}Tc-Nanocis accumulation. The results of dynamic scintigraphic studies in rats showed that {sup 99m}Tc-Al{sub 2}O{sub 3} and {sup 99m}Tc-Nanocis actively accumulated into the lymphatic system. By using {sup 99m}Tc-Al{sub 2}O{sub 3} inguinal lymph node was determined in 5 minutes after injection and clearly visualized in all the animals in the 15th minute, when the accumulation became more than 1% of the administered dose. Further observation indicated that the {sup 99m}Tc-Al{sub 2}O{sub 3} accumulation reached a plateau in a lymph node (average 10.5%) during 2-hour study and then its accumulation remained practically at the same level, slightly increasing to 12% in 24 hours. In case of {sup 99m}Tc-Nanocis inguinal lymph node was visualized in all animals for 15 min when it was accumulated on the average 1.03% of the administered dose. Plateau of {sup 99m}Tc-Nanocis accumulation in the lymph node (average 2.05%) occurred after 2 hours of the study and remained almost on the same level (in average 2.3%) for 24 hours. Thus, the experimental study of a new domestic radiopharmaceutical showed that the {sup 99m}Tc-Al{sub 2}O{sub 3} accumulates actively in the lymph nodes several times as compared to the imported analogue and its practical application will facilitate intraoperative identification of sentinel lymph nodes.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

HIResist: a database of HIV-1 resistance to broadly neutralizing antibodies

Changing the course of the human immunodeficiency virus type I (HIV-1) pandemic is a high public health priority with approximately 39 million people currently living with HIV-1 (PLWH) and about 1.5 million new infections annually worldwide. Broadly neutralizing antibodies (bnAbs) typically target highly conserved sites on the HIV-1 envelope glycoproteins (Envs), which mediate viral entry, and block the infection of diverse HIV-1 strains. But different mechanisms of HIV-1 resistance to bnAbs prevent robust application of bnAbs for therapeutic and preventive interventions. Here we report the development of a new database that provides data and computational tools to aid the discovery of resistant features and may assist in analysis of HIV-1 resistance to bnAbs. Bioinformatic tools allow identification of specific patterns in Env sequences of resistant strains and development of strategies to elucidate the mechanisms of HIV-1 escape; comparison of resistant and sensitive HIV-1 strains for each bnAb; identification of resistance and sensitivity signatures associated with specific bnAbs or groups of bnAbs; and visualization of antibody pairs on cross-sensitivity plots. The database has been designed with a particular focus on user-friendly and interactive interface. Our database is a valuable resource for the scientific community and provides opportunities to investigate patterns of HIV-1 resistance and to develop new approaches aimed to overcome HIV-1 resistance to bnAbs.

60 APPLIED LIFE SCIENCES↗

Automated identification of local contamination in remote atmospheric composition time series

Abstract. Atmospheric observations in remote locations offer a possibility of exploring trace gas and particle concentrations in pristine environments. However, data from remote areas are often contaminated by pollution from local sources. Detecting this contamination is thus a central and frequently encountered issue. Consequently, many different methods exist today to identify local contamination in atmospheric composition measurement time series, but no single method has been widely accepted. In this study, we present a new method to identify primary pollution in remote atmospheric datasets, e.g., from ship campaigns or stations with a low background signal compared to the contaminated signal. The pollution detection algorithm (PDA) identifies and flags periods of polluted data in five steps. The first and most important step identifies polluted periods based on the derivative (time derivative) of a concentration over time. If this derivative exceeds a given threshold, data are flagged as polluted. Further pollution identification steps are a simple concentration threshold filter, a neighboring points filter (optional), a median, and a sparse data filter (optional). The PDA only relies on the target dataset itself and is independent of ancillary datasets such as meteorological variables. All parameters of each step are adjustable so that the PDA can be “tuned” to be more or less stringent (e.g., flag more or fewer data points as contaminated). The PDA was developed and tested with a particle number concentration dataset collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition in the central Arctic. Using strict settings, we identified 62 % of the data as influenced by local contamination. Using a second independent particle number concentration dataset also collected during MOSAiC, we evaluated the performance of the PDA against the same dataset cleaned by visual inspection. The two methods agreed in 94 % of the cases. Additionally, the PDA was successfully applied to a trace gas dataset (CO2), also collected during MOSAiC, and to another particle number concentration dataset, collected at the high-altitude background station Jungfraujoch, Switzerland. Thus, the PDA proves to be a useful and flexible tool to identify periods affected by local contamination in atmospheric composition datasets without the need for ancillary measurements. It is best applied to data representing primary pollution. The user-friendly and open-access code enables reproducible application to a wide suite of different datasets. It is available at https://doi.org/10.5281/zenodo.5761101 (Beck et al., 2021).

54 ENVIRONMENTAL SCIENCES↗

NanoSIMS for biological applications: Current practices and analyses

Secondary ion mass spectrometry (SIMS) has become an increasingly utilized tool in biologically relevant studies. Of these, high lateral resolution methodologies using the NanoSIMS 50/50L have been especially powerful within many biological fields over the past decade. Here, the authors provide a review of this technology, sample preparation and analysis considerations, examples of recent biological studies, data analyses, and current outlooks. Specifically, the authors offer an overview of SIMS and development of the NanoSIMS. The authors describe the major experimental factors that should be considered prior to NanoSIMS analysis and then provide information on best practices for data analysis and image generation, which includes an in-depth discussion of appropriate colormaps. Additionally, the authors provide an open-source method for data representation that allows simultaneous visualization of secondary electron and ion information within a single image. Finally, the authors present a perspective on the future of this technology and where they think it will have the greatest impact in near future.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of the Radioactive Material Released in the Harborview Research and Training Building and Some Implications for Emergency Response

On 2 May 2019, during the 137 Cs source recovery operation, a source capsule in a research irradiator containing approximately 77.1 TBq was breached. Based on a geometric reconstruction analysis of the damage to the capsule, approximately 46.3 GBq (0.04%) was impacted by the chop saw (grinder) inside a mobile hot cell on the loading dock at the University of Washington Harborview Research and Training (HRT) Building. A very small fraction of the material impacted, less than 1%, was released from the mobile hot cell and then to the rest of the HRT Building. The objectives of this project were to assess the accidental release of 137 CsCl and its implications related to emergency response methods and the ramifications of 137 CsCl transport. The phenomenology of this event was also compared with past alkali halide dispersal events. The vast number of measurements and samples collected by the remediation contractors, the Department of Energy’s Nuclear Emergency Support Team, and the small number of retrospective samples collected by the authors informed the analysis. The techniques included (1) autoradiography and electron microscopy of samples collected from the HRT Building and the irradiator, (2) 3D visualization of deposition on surfaces and within the ventilation system, and (3) a study of the damage to the source capsule to evaluate the Cs particle size and particle composition due to the grinding accident. Subsequently, the cesium contaminant transport through the numerous pathways in the building was reconstructed to assess the deposition on surfaces as a function of particle size. Furthermore, the implications for emergency response are relevant to data quality and management. A Data Quality Objective guides data collection methods so that they have appropriate accuracy and precision for the intended application. Recommendations were made with respect to the sample collection protocols and archiving of samples.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Spatial-Temporal PV Hosting Capacity Estimation and Evaluation

Evaluating Photovoltaic Hosting Capacity (PVHC) is an essential step in the process of integrating solar energy into power grids, particularly when focusing on the distribution network (DN) as the primary integration target. PVHC needs to be investigated, especially in cases where the grids are unbalanced, and their operational conditions vary spatially and temporally. This motivation prompted us to propose a scalable model tailored to this application. In this paper, we applied linearization to the alternating current optimal power flow (AC-OPF) and solar inverters, transforming the original problem into a mixed-integer linear programming (MILP) problem. Additionally, we accounted for the battery energy storage system (BESS) as a time-coupling factor for calculating PVHC. We then compared the PVHC results between the IEEE-13 bus and SMART-DS San Francisco (SFO) cases and discussed the extent to which BESS can enhance the PVHC of a DN. Furthermore, we designed a web-based graphical visualization for the SFO case, enabling user interaction with raw data and simulation results on a map through a graphical user interface (GUI). In summary, our results and findings provide valuable insights for future three-phase unbalanced AC-OPF PVHC practices and their visualization.

AC-optimal power flow↗

Evaluation of the Radioactive Material Release in the Harborview Research and Training Building and Implications for Emergency Response

On May 2, 2019, during the 137 Cs source recovery operation, a source capsule in a research irradiator containing approximately 77.1 TBq was breached. Based on a geometric reconstruction analysis of the damage to the capsule, approximately 46.3 GBq (0.04%) was impacted by the chop saw (grinder) inside a Mobile Hot Cell (MHC) on the loading dock at the University of Washington Harborview Research and Training (HRT) Building. A very small fraction of the material impacted, less than 1%) was released from the Mobile Hot Cell and then to the rest of the HRT Building. The objectives of this project were to assess the accidental release of 137 CsCl and its implications related to emergency response methods and the ramifications of 137 CsCl transport. The phenomenology of this event was also compared with past alkali halide dispersal events. The vast number of measurements and samples collected by the remediation contractors, the Department of Energy's Nuclear Emergency Support Team, and the small number of retrospective samples collected by the authors informed the analysis. The techniques included (1) autoradiography and electron microscopy of samples collected from the HRT Building and the irradiator, (2) 3D visualization of deposition on surfaces and within the ventilation system, and (3) a study of the damage to the source capsule to evaluate the Cs particle size and particle composition due to the grinding accident. Subsequently, the cesium contaminant transport through the numerous pathways in the building was reconstructed to assess the deposition on surfaces as a function of particle size. The implications for emergency response are relevant to data quality and management. A Data Quality Objective (DQO) guides data collection methods so that they have appropriate accuracy and precision for the intended application. Recommendations were made with respect to the sample collection protocols and sample archival.

61 RADIATION PROTECTION AND DOSIMETRY↗

Enhancing synchrotron radiation micro-CT images using deep learning: an application of Noise2Inverse on bone imaging

In bone-imaging research, in situ synchrotron radiation micro-computed tomography (SRµCT) mechanical tests are used to investigate the mechanical properties of bone in relation to its microstructure. Low-dose computed tomography (CT) is used to preserve bone's mechanical properties from radiation damage, though it increases noise. To reduce this noise, the self-supervised deep learning method Noise2Inverse was used on low-dose SRµCT images where segmentation using traditional thresholding techniques was not possible. Simulated-dose datasets were created by sampling projection data at full, one-half, one-third, one-fourth and one-sixth frequencies of an in situ SRµCT mechanical test. After convolutional neural networks were trained, Noise2Inverse performance on all dose simulations was assessed visually and by analyzing bone microstructural features. Visually, high image quality was recovered for each simulated dose. Lacunae volume, lacunae aspect ratio and mineralization distributions shifted slightly in full, one-half and one-third dose network results, but were distorted in one-fourth and one-sixth dose network results. Following this, new models were trained using a larger dataset to determine differences between full dose and one-third dose simulations. Significant changes were found for all parameters of bone microstructure, indicating that a separate validation scan may be necessary to apply this technique for microstructure quantification. Noise present during data acquisition from the testing setup was determined to be the primary source of concern for Noise2Inverse viability. While these limitations exist, incorporating dose calculations and optimal imaging parameters enables self-supervised deep learning methods such as Noise2Inverse to be integrated into existing experiments to decrease radiation dose.

Obata, Yoshihiro (ORCID:0000000303659129)↗

MetaboDirect: an analytical pipeline for the processing of FT-ICR MS-based metabolomic data

Background: Microbiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking. Results: Here, we build on years of analytical experience with diverse sample types to develop MetaboDirect, an open-source, command-line-based pipeline for the analysis (e.g., chemodiversity analysis, multivariate statistics), visualization (e.g., Van Krevelen diagrams, elemental and molecular class composition plots), and presentation of direct injection high-resolution FT-ICR MS data sets after molecular formula assignment has been performed. When compared to other available FT-ICR MS software, MetaboDirect is superior in that it requires a single line of code to launch a fully automated framework for the generation and visualization of a wide range of plots, with minimal coding experience required. Among the tools evaluated, MetaboDirect is also uniquely able to automatically generate biochemical transformation networks (ab initio) based on mass differences (mass difference network-based approach) that provide an experimental assessment of metabolite connections within a given sample or a complex metabolic system, thereby providing important information about the nature of the samples and the set of microbial reactions or pathways that gave rise to them. Finally, for more experienced users, MetaboDirect allows users to customize plots, outputs, and analyses. Conclusion: Application of MetaboDirect to FT-ICR MS-based metabolomic data sets from a marine phage-bacterial infection experiment and a Sphagnum leachate microbiome incubation experiment showcase the exploration capabilities of the pipeline that will enable the research community to evaluate and interpret their data in greater depth and in less time. It will further advance our knowledge of how microbial communities influence and are influenced by the chemical makeup of the surrounding system. The source code and User’s guide of MetaboDirect are freely available through (https://github.com/Coayala/MetaboDirect) and (https://metabodirect.readthedocs.io/en/latest/), respectively.

54 ENVIRONMENTAL SCIENCES↗

Dramatic Demand Reduction In The Desert Southwest

This report summarizes a project that was funded to the University of Nevada Las Vegas (UNLV), with subcontractors Pulte Homes and NV Energy. The project was motivated by the fact that locations in the Desert Southwest portion of the US demonstrate very high peak electrical demands, typically in the late afternoons in the summer. These high demands often require high priced power to supply the needs, and the large loads can cause grid supply problems. An approach was proposed through this contact that would reduce the peak electrical demands to an anticipated 65% of what code-built houses of the similar size would have. It was proposed to achieve energy reduction through four approaches applied to a development of 185 homes in northwest part of Las Vegas named Villa Trieste. First, the homes would all be highly energy efficient. Secondly, each house would have a PV array installed on it. Third, an advanced demand response technique would be developed to allow the resident to have some control over the energy used. Finally, some type of battery storage would be used in the project. Pulte Homes designed the houses. The company considered initial cost vs. long-term savings and chose options that had relatively short paybacks. HERS (Home Energy Rating Service) ratings for the homes are approximately 43 on this scale. On this scale, code-built homes rate at 100, zero energy homes rate a 0, and Energy Star homes are 85. In addition a 1.764 Wp (peak Watt) rated PV array was used on each house. This was made up of solar shakes that were in visual harmony with the roofing material used. A demand response tool was developed to control the amount of electricity used during times of peak demand. While demand response techniques have been used in the utility industry for some time, this particular approach is designed to allow the customer to decide the degree of participation in the response activity. The temperature change in the residence can be decided by the residents by adjusting settings. In a sense the customer can choose between greater comfort and greater money savings during demand response circumstances. Finally a battery application was to be considered. Initially it was thought that a large battery (probably a sodium-sulfur type) would be installed. However, after the contract was awarded, it was determined that a single, centrally-located battery system would not be appropriate for many reasons, including that with the build out plan there would not be any location to put it. The price had risen substantially since the budget for the project was put together. Also, that type of battery has to be kept hot all the time, but its use was only sought for summer operation. Hence, individual house batteries would be used, and these are discussed at the end of this report. Many aspects of the energy use for climate control in selected houses were monitored before residents moved in. This was done both to understand the magnitude of the energy flows but also to have data that could be compared to the computer simulations. The latter would be used to evaluate various aspects of our plan. It was found that good agreement existed between actual energy use and computed energy use. Hence, various studies were performed via simulations. Performance simulations showed the impact on peak energy usage between a code built house of same size and shape compared to the Villa Trieste homes with and without the PV arrays on the latter. Computations were also used to understand the effect of varying orientations of the houses in this typical housing development, including the effect of PV electrical generation. Energy conservation features of the Villa Trieste homes decreased the energy use during peak times (as well as all others), but the resulting decreased peak occurred at about the same time as the code-built houses. Consideration of the PV generation decreases the grid energy use further during daylight hours, but did not extend long enough many days to decrease the peak. Hence, a demand response approach, as planned, was needed. With participation of the residents in the demand response program developed does enable the houses to reduce the peak demand between 66% and 72%, depending on the built years. This was addressed fully in the latter part the study and is described in the latter part of this report.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Machine Learning-Based Anomaly Detection for PMT Data Quality Monitoring in the SBN and DUNE

Maintaining high-quality detector data is essential for achieving the scientific objectives of the Short-Baseline Neutrino (SBN) Program at Fermilab. Current data quality monitoring (DQM) procedures rely primarily on threshold-based metrics and manual inspection of detector monitoring plots, making the detection of subtle or gradually developing anomalies both time-consuming and dependent on expert interpretation. This project developed and evaluated a machine-learning workflow for automatically identifying anomalous photomultiplier tube (PMT) channels in the Short-Baseline Near Detector (SBND) using optical-hit amplitude data. A Python-based analysis program was developed to process ROOT files, extract statistical features describing individual PMT amplitude distributions, and generate feature vectors for anomaly detection. These features were used to train an Isolation Forest model using data representing normal detector operation. The trained model was subsequently applied to independent detector runs to identify channels exhibiting statistically unusual behavior relative to the learned reference response. To support expert interpretation, the workflow generated complementary diagnostic products, including anomaly score distributions, normalized amplitude comparisons, decision-tree visualizations, and principal component analysis (PCA) projections. This project demonstrated the feasibility of integrating unsupervised machine learning into detector data-quality monitoring and developed a complete workflow for automated PMT performance assessment to aid expert-driven review. Beyond its technical contributions, the VFP appointment fostered a research collaboration between Aurora University and Fermilab and provided direct workforce development benefits by training the visiting faculty member in detector-scale machine-learning methods that are now being incorporated into undergraduate coursework and research. The methodology developed here provides a foundation for future applications to ProtoDUNE and other liquid argon time projection chamber (LArTPC) detectors, contributing to ongoing efforts to improve detector reliability, reduce manual monitoring requirements, and enable scalable data quality monitoring for future large-scale neutrino experiments, including the Deep Underground Neutrino Experiment (DUNE).

Colón Santana, Juan A. [Unlisted, US, IL]↗

Advanced Fossil Energy Separations and Analysis Research – Thermal Desorption Using Spouted Beds

Mercury and other contaminants in emissions from coal-fired power plants are of interest due to the cost associated with capture and disposal of toxic mercury species. It had recently been postulated in the fossil energy community that spouted beds may be a viable coal pre-treatment technique for thermal desorption of mercury. Spouted beds have the potential to be a near-ideal solid-gas contactor for desorption of mercury species, especially with a few proposed design changes specific for this application. Introduction of draft tubes for spouted beds has addressed some issues with scale-up to better handle the throughput and particle size found in coal-fired power plants. In Phase I, Mainstream Engineering invented and developed a Venturi draft tube spouted bed (VDTSB) to enable process scale-up with fine coal particles and to improve heat and mass transfer. The VDTSB concept increases suction at the bottom of the bed to better entrain material (and reduce the propensity for bridging) at the bottom of the conical vessel. The main advantages of this patent-pending approach are the ability to accept a wide range of coal particle sizes, good heat/mass transfer, process scalability, and robustness. The desorber design was optimized through bed flow visualization experiments; these experiments demonstrated the increased throughput and ease of process scale-up. A high-temperature pilot-scale VDTSB desorber system was designed, fabricated, commissioned, and tested. The heat and mass transfer rates with the VDTSB were measured and compared to a baseline spouted bed with and without a conventional straight draft tube. Pilot-scale VDTSB system performance tests were completed with the Energy and Environmental Research Center (EERC) to measure the rate of mercury desorption over a range of pulverized coal particle sizes, bed temperatures, and reactor geometry. Based on performance results, an initial technoeconomic analysis (TEA) was completed to estimate the cost reduction for emissions treatment compared to current flue-gas mercury capture systems. The following was accomplished in Phase I: Developed scalable design correlations for high-throughput spouted bed systems; Determined cycle time distribution (CTD) and turnover time for straight and Venturi draft tube spouted beds, and showed the VDTSB had lower cycle time (faster turnover) than the straight draft tube (SDT); Reduced weighted-average turnover time by 14% to 43% with Venturi draft tube; narrowed the CTD by up to 75%; Measured heat and mass transfer within the pilot-scale VDTSB desorber and showed that the highest heat transfer rate was 2.98 kW/m 2 ·s with 400 µm particles at a 10 L/min motive gas flowrate; Measured mercury (Hg) desorption rate for lignite, bituminous, and subbituminous coal at 200 °C, 225 °C, 250 °C and 275 °C; Achieved 5.6×10 -10 kg/m 2 -h, 2.6×10 -10 kg/m 2 -h, and 6.5×10 -11 kg/m 2 -h Hg removal rates for lignite, bituminous, and sub-bituminous coals, respectively with no loss in volatile matter and an increase in heating value due to a reduction in moisture content; The unoptimized VDTSB pilot desorber decreased the total mercury concentration of lignite and bituminous coal tests by 61% (dry basis). The subbituminous Powder River Basin (PRB) coal showed a reduction of 18%; Based on our TEA of coal-fired power plants, implementing the VDTSB for coal pretreatment could reduce the mercury capture capital and operating expenses by 36% and 38%, respectively, which exceeded the target goal of 25% reduction; A patent application was prepared, and the results were presented at the 2017 AIChE Annual Meeting (Minneapolis, MN).

20 FOSSIL-FUELED POWER PLANTS↗