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DOE OSTI2014

Establishing MICHCARB, a geological carbon sequestration research and education center for Michigan, implemented through the Michigan Geological Repository for Research and Education, part of the Department of Geosciences at Western Michigan University

The Michigan Geological Repository for Research and Education (MGRRE), part of the Department of Geosciences at Western Michigan University (WMU) at Kalamazoo, Michigan, established MichCarb—a geological carbon sequestration resource center by: • Archiving and maintaining a current reference collection of carbon sequestration published literature • Developing statewide and site-specific digital research databases for Michigan’s deep geological formations relevant to CO2 storage, containment and potential for enhanced oil recovery • Producing maps and tables of physical properties as components of these databases • Compiling all information into a digital atlas • Conducting geologic and fluid flow modeling to address specific predictive uses of CO2 storage and enhanced oil recovery, including compiling data for geological and fluid flow models, formulating models, integrating data, and running the models; applying models to specific predictive uses of CO2 storage and enhanced oil recovery • Conducting technical research on CO2 sequestration and enhanced oil recovery through basic and applied research of characterizing Michigan oil and gas and saline reservoirs for CO2 storage potential volume, injectivity and containment. Based on our research, we have concluded that the Michigan Basin has excellent saline aquifer (residual entrapment) and CO2/Enhanced oil recovery related (CO2/EOR; buoyant entrapment) geological carbon sequestration potential with substantial, associated incremental oil production potential. These storage reservoirs possess at least satisfactory injectivity and reliable, permanent containment resulting from associated, thick, low permeability confining layers. Saline aquifer storage resource estimates in the two major residual entrapment, reservoir target zones (Lower Paleozoic Sandstone and Middle Paleozoic carbonate and sandstone reservoirs) are in excess of 70-80 Gmt (at an overall 10% storage efficiency factor; an approximately P50 probability range for all formations using DOE-NETL, 2010, storage resource estimation methodology). Incremental oil production resulting from successful implementation of CO2/EOR for the highest potential Middle Paleozoic reef reservoirs (Silurian, Northern Niagaran Reef trend) in Michigan is estimated at 130 to over 200 MMBO (22-33 Mm3). In addition, between 200 and 400 Mmt of CO2 could be sequestered in the course of successful deployment of CO2/EOR in the northern reef trend’s largest depleted (primary production) oil fields (those that have produced in excess of 500,000 BO; 80,000 m3of oil). • Effecting technology transfer to members of industry and governmental agencies by establishing an Internet Website at which all data, reports and results are accessible; publishing results in relevant journals; conducting technology transfer workshops as part of our role as the Michigan Center of the Petroleum Technology Transfer Council or any successor organization.

58 GEOSCIENCES↗

DOE OSTI2024

A Vehicle-to-Grid planning framework incorporating electric vehicle user equilibrium and distribution network flexibility enhancement

The rapid surge in electric vehicle (EV) adoption, coupled with advancements in charging technologies, emphasizes the critical necessity for expanding EV recharging infrastructure. Simultaneously, the Distribution Network (DN) encounters escalating challenges in meeting charging demand during peak traffic periods. Consequently, there is a mounting demand for the deployment of innovative Vehicle-to-Grid (V2G) technologies to augment the DN’s flexibility in power dispatch and alleviate travel costs for EV users. Hence, this paper proposes an EV-user-equilibrium-(UE)-constrained V2G planning framework that enhances flexibility in the DN. The framework aims to ascertain the optimal placement and capacity of EV charging stations (EVCSs) and V2G charging piles within the Transportation Network (TN). It takes into account the equilibrium condition stemming from competitive EV charging and routing behaviors alongside the optimal expansion of DN energy resources to accommodate the electricity supplied by the V2G piles. This study commences by analyzing EV drivers’ travel decisions, considering the influence of charging and V2G pile locations and sizes. Subsequently, we tackle the Traffic Assignment Problem with User Equilibrium (TAP-UE) model to characterize the steady-state traffic flow distribution of EVs. Following this, we formulate the optimization model for the Coordinated Power and Transportation Network (CPTN), which encompasses the optimal expansion of DN facilities and traffic flow regulation under UE conditions. To mitigate the computational complexity associated with the V2G planning model, we introduce a series of linearization methods to obtain a manageable Mixed-Integer Linear Programming (MILP) solution. Finally, to validate the efficacy of our proposed planning framework, we apply it to two test systems, including a real-world case study. Through these case studies, we explore the necessity and potential benefits of V2G technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

Using PCA and PLS on publicly available data to predict the extractability of hydrocarbons from shales

Prediction of hydrocarbon extraction from shale requires specialized knowledge of shale play characteristics and analysis to assess effective, economical, and sustainable implementation of oil and natural gas production. In this paper, we present a statistical approach that can be used as a preliminary investigation into the hydrocarbon resource potential of a shale play based on limited data. Statistical algorithms for Principal Component Analysis (PCA) and Partial Least Squares Regression (PLS) were used to determine if depositional environments and lithographic boundary characteristics of different plays allowed prediction of specific production parameters. This project characterizes Eagle Ford and Utica formations—two high-producing shale plays in the United States—and Banff/Exshaw and Colorado formations—two recently assessed shale plays in Alberta, Canada. Partial Least Squares Regression models were unable to model gas production parameters from predictor variables, highlighting the complexity of gas formations and the need for data on microscale petrophysical characteristics. In contrast, oil production parameters were better predicted, because bulk variables such as mineral composition appeared to correlate with oil location in mineral interfaces. As expected, a PLS model's predictive capabilities increased with specificity of data sets to particular regions of a shale play. Finally, this study indicates how PCA and PLS modeling could assist stakeholders to make preliminary decisions regarding hydrocarbon extraction, especially when limited to publicly available petrophysical data.

03 NATURAL GAS↗

DOE OSTI2024

Enriching OpenStreetMap network data for transportation applications: Insights into the impact of urban congestion on accessibility

OpenStreetMap (OSM) data is a valuable open-source resource for various transportation, traffic, and planning applications. However, OSM network data lack operating traffic speed information, which is critical for transport planning and operations. Addressing this shortcoming, this study leverages commercial vendor data (to serve as ground truth) with exogenous, open-source variables characterizing local transport infrastructure, land use, and demographic information to predict average congested traffic speeds on OSM networks. Three machine-learning models were tested and estimated for OSM links with and without speed limit information in the Denver metropolitan region. Among these, XGBoost performed best, with mean absolute errors of 3.27 and 3.62 mph for links with and without speed limits, respectively. The developed models accurately predicted traffic speeds for different hours and days of the week compared to ground truth data. Using these predicted speeds, drive accessibility scores were computed for the Denver region for different time periods using the Mobility Energy Productivity (MEP) metric to understand the impact of congestion on energy-efficient accessibility. Results show that congestion-adjusted drive accessibility can be significantly lower compared to accessibility calculated using free flow speeds. Specifically, weekday evening hours saw a 42 % drop in accessibility due to reduced speeds, particularly around downtown Denver. Across the Denver metro region, approximately half as many opportunities and jobs are accessible in under 20 min by car during the evening peak period relative to free flow conditions. These findings underscore the importance of using congestion-adjusted operating speeds rather than speed limits in accessibility calculations, as reliance on speed limits can substantially overestimate energy-efficient drive accessibility in large, car-centric cities susceptible to significant congestion. In conclusion, the methodology presented here could further enrich OSM network data, making them useful for an even broader range of transportation applications.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Sulfidization of Organic Freshwater Flocs from a Minerotrophic Peatland: Speciation Changes of Iron, Sulfur, and Arsenic

Iron-rich organic flocs are frequently observed in surface waters of wetlands and show a high affinity for trace metal(loid)s. Under low-flow stream conditions, flocs may settle, become buried, and eventually be subjected to reducing conditions facilitating trace metal(loid) release. In this study, we reacted freshwater flocs (704–1280 mg As/kg) from a minerotrophic peatland (Gola di Lago, Switzerland) with sulfide (5.2 mM, S(-II) spike /Fe = 0.75–1.62 mol/mol) at neutral pH and studied the speciation changes of Fe, S, and As at 25 ± 1 °C over 1 week through a combination of synchrotron X-ray techniques and wet-chemical analyses. Sulfidization of floc ferrihydrite and nanocrystalline lepidocrocite caused the rapid formation of mackinawite (52–81% of Fe solid at day 7) as well as solid-phase associated S(0) and polysulfides. Ferrihydrite was preferentially reduced over lepidocrocite, although neoformation of lepidocrocite from ferrihydrite could not be excluded. Sulfide-reacted flocs contained primarily arsenate (47–72%) which preferentially adsorbed to Fe(III)-(oxyhydr)oxides, despite abundant mackinawite precipitation. At higher S(-II) spike /Fe molar ratios (≥1.0), the formation of an orpiment-like phase accounted for up to 35% of solid-phase As. Despite Fe and As sulfide precipitation and the presence of residual Fe(III)-(oxyhydr)oxides, mobilization of As was recorded in all samples (As aq = 0.45–7.0 μM at 7 days). Aqueous As speciation analyses documented the formation of thioarsenates contributing up to 33% of As aq . Lastly, our findings show that freshwater flocs from the Gola di Lago peatland may become a source of As under sulfate-reducing conditions and emphasize the pivotal role Fe-rich organic freshwater flocs play in trace metal(loid) cycling in S-rich wetlands characterized by oscillating redox conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Factors Governing the Performance of Bauxite for Fluoride Remediation of Groundwater

Globally, 200 million people drink groundwater contaminated with fluoride concentrations exceeding the World Health Organization's recommended level (WHO-MCL = 1.5 mg F - /L). This study investigates the use of minimally processed (dried/milled) bauxite ore as an inexpensive adsorbent for remediating fluoride-contaminated groundwater in resource-constrained areas. Adsorption experiments in synthetic groundwater using bauxites from Guinea, Ghana, U.S., and India as single-use batch dispersive media demonstrated that doses of ~10-23 g/L could effectively remediate 10 mg F - /L. To elucidate factors governing fluoride removal, bauxites were characterized using X-ray fluorescence, X-ray diffraction, gas-sorption analysis, and adsorption isotherms/envelopes. All ores contained gibbsite, had comparable surface areas (~14-17 m 2 /g), had similar intrinsic affinities and capacities for fluoride, and did not leach harmful ions into product water. Fluoride uptake on bauxite -primarily through ion-exchange- was strongly pH-dependent, with highest removal occurring at pH 5.0-6.0. Dissolution of CaCO 3 , present in trace amounts in India bauxite, significantly hindered fluoride removal by increasing solution pH. We also showed that fluoride remediation with the best-performing Guinea bauxite was ~23-33 times less expensive than with activated alumina. In conclusion, overall, our results suggest that bauxite could be an affordable fluoride-remediation adsorbent with the potential to improve access to drinking water for millions living in developing countries.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Diagnosing the Causes and Severity of One-sided Message Contention

Two trends suggest network contention for one-sided messages is poised to become a performance problem that concerns application developers: an increased interest in one-sided programming models and a rising ratio of hardware threads to network injection bandwidth. Unfortunately, it is difficult to reason about network contention and one-sided messages because one-sided tasks can either decrease or increase contention. We present effective and portable techniques for diagnosing the causes and severity of one-sided message contention. To detect that a message is affected by contention, we maintain statistics representing instantaneous (non-local) network resource demand. Using lightweight measurement and modeling, we identify the portion of a message's latency that is due to contention and whether contention occurs at the initiator or target. We attribute these metrics to program statements in their full static and dynamic context. We characterize contention for an important computational chemistry benchmark on InfiniBand, Cray Aries, and IBM Blue Gene/Q interconnects. We pinpoint the sources of contention, estimate their severity, and show that when message delivery time deviates from an ideal model, there are other messages contending for the same network links. With a small change to the benchmark, we reduce contention up to 50% and improve total runtime as much as 20%.

Network Contention, Performance Analysis, Dynamic ↗

DOE OSTI2017

Comparative Performance of Two Ventilation Strategies in a Hot-Humid Climate

In fiscal year 2013, Pacific Northwest National Laboratory (PNNL), Florida Solar Energy Center (FSEC), and Florida Home Energy and Resources Organization (Florida HERO) began a collaborative effort to evaluate the impact of ventilation rate on interior comfort conditions, space-conditioning energy use, and indoor air contaminant concentrations. Relevant parameters were measured in 10 homes in Gainesville, Florida, along with corresponding outdoor conditions, to characterize the impact of differing ventilation rates. This report provides information about the data collection method and results from more than 1 year of data collection during a period from summer 2013 through summer 2014. Indoor air quality was sampled in three discrete periods with the first occurring in August/September 2013, the second occurring in March/April 2014, and the third occurring in August 2014.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Comparative Performance of Two Ventilation Strategies in a Hot-Humid Climate

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Brain Connectivity Workshop Series Report

The National Institutes of Health (NIH) BRAIN Initiative aims to accelerate development and application of technologies that show how individual brain cells in complex neural circuits interact at the speed of thought and action. Complete wiring diagrams of the mammalian brain will revolutionize the capabilities of researchers to formulate and test models of how activity within brain circuits drives coordinated function and behavior. A top priority for the BRAIN Initiative, motivated by the strategic guidance of the BRAIN 2.0 Working Group report, is to muster the resources and foster the collaborations needed to generate these wiring diagrams at the level of long-range projections (“projectomes”) and synapses (“connectomes”) in whole mammalian brains, including those from rodents, humans, and other large-brained mammals. Achieving the scale and resolution necessary to characterize and use these projectomes and connectomes will not only push the boundaries of current imaging and computational capabilities to generate faster, cheaper, and more scalable technologies, but also drive broad innovation in data science, artificial intelligence, and machine learning.

42 ENGINEERING↗

DOE OSTI2015

Fact Sheet: Best Practices Handbook for the Collection and Use of Solar Energy Applications

This fact sheet presents highlights from the Best Practices Handbook for the Collection and Use of Solar Resource Data for Solar Energy Applications, which provides detailed information about solar resource data and the resulting data products needed for planning each stage of large concentrating solar power systems, from initial site selection to system operations.

14 SOLAR ENERGY↗

DOE OSTI2020

Probe-Enabled Approaches for Function-Dependent Cell Sorting and Characterization of Microbiome Subpopulations

Understanding the roles that individual species or communities play within a microbiome is a significant challenge. The complexity and heterogeneity of microbiomes presents a challenge to researchers looking to unravel the function that microbiomes serve within larger environments. While identification of the species and proteins present in a microbiome can be accomplished through genomics approaches, strategies that report on enzyme activity are limited. In this chapter, we describe the application of small molecule chemical probes in the isolation and subsequent characterization of microbiome subpopulations based on enzymatic function. We will cover protocols for labeling microbes with appropriate probes, microbiome sample preparation, and using fluorescence-activated cell sorting to isolate subpopulations based on function. We hope that the strategies outlined here will serve as a resource for researchers studying the functional role that microbiomes play in the gut and soil.

Steiger, Andrea K.↗

DOE OSTI2016

Overview of the U.S. Department of Energy, Office of Nuclear Energy's Nuclear Fuel Storage and Transportation Planning Project

The U.S. Department Energy, Office of Nuclear Energy (DOE-NE) is laying the groundwork for implementing interim storage, including associated transportation, per the Administration's Strategy for the Management and Disposal of Used Nuclear Fuel and High- Level Radioactive Waste, and to develop a foundation for a new nuclear waste management organization. The organization within DOE-NE that is responsible for this planning is the Office of Nuclear Fuels Storage and Transportation (NFST). The technical work to support this planning effort is being conducted by DOE's national laboratories. DOE's overarching goal is to develop options for decision-makers on the design of an integrated waste management system. The goal is to develop an integrated plan to (1) implement interim storage; (2) improve the overall integration of storage as a planned part of the waste management system; (3) prepare for the large-scale transportation of SNF and high-level waste (HLW), with an initial focus on removing SNF from the shutdown reactor sites; and (4) develop the foundational information, resources, and capabilities needed to support future implementation decisions and actions. Near-term objectives are to (1) develop and maintain an integrated plan to accomplish the Administration's Strategy goals, (2) improve integration of storage as a planned part of the waste management system, (including evaluating standardization of dry cask storage systems), (3) develop and evaluate design options for an integrated waste management system, (4) develop and apply systems analyses to provide quantitative estimates of system impacts of utility actions' impacts on the system and inform future decisions, (5) prepare for the large-scale transportation of SNF and HLW, (with an initial focus on removing SNF from the shutdown reactor sites), and (6) establish and maintain a unified, integrated SNF database and analysis system to characterize the input to the waste management system. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Completeness and coverage of open-access freshwater fish distribution data in the United States

Aim: Primary biodiversity data constitute observations of particular species at given points in space and time. Open-access databases provide unprecedented access to these data, but their utility depends on how complete species inventories are at a given surveying resolution and how uniformly distributed surveys are in space and time. Our aim was to characterize the completeness of freshwater fish data across spatial scales and among habitat types (lotic stream reaches and lentic waterbodies), and assess coverage bias in space and time. Location: Freshwater habitats of the contiguous United States. Methods: We compiled fish occurrence records from the Global Biodiversity Information Facility (GBIF), the Multi-state Aquatic Resources Information Server (MARIS), and three federally-administered surveys (EMAP, NAQWA, NRS). Next, we evaluated survey completeness across seven spatial resolutions representing nested stream catchments, and separately for lotic and lentic habitats. Lastly, we tested for bias in survey coverage along environmental and temporal gradients for each habitat type. Results: A total of 39,855,157 records representing 1925 species were available from 1800 to 2014. The percent of catchments surveyed increased as spatial resolution decreased while the density of occurrence records within surveyed catchments decreased. Species richness also increased with catchment size consistent with putative species–area relationships. Occurrence records were distributed among 72,114 lotic reaches and 3,325 lentic waterbodies throughout the contiguous US. Seven percent (N=5,055) of surveyed lotic reaches and 23% (N=771) of surveyed lentic waterbodies were well-surveyed based on the most conservative thresholds for two completeness indices. Most well-surveyed lotic reaches (95%) and undammed lentic waterbodies (97%) were completed since 1980, and most were surveyed during only one 20-year time interval (83% and 56% for lotic and lentic waterbodies, respectively). Coverage analyses indicated that contemporary and future climates corresponding to regions along the west coast and gulf coast are the most under-represented for both lotic and lentic habitats. Small lentic waterbodies (surface area < 0.1 km2) are also under-represented. Main Conclusions: Contemporary surveys of lotic reaches and, to a lesser extent, lentic waterbodies are plentiful and generally representative of climatic and landscape characteristics. Data compilation efforts should focus on adding historical data to public repositories. Clustering of well-surveyed waterbodies in MARIS-participating states highlights the value of state-agency data and demonstrates the need for dissemination of these data by more state agencies.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Geophysical Constraints on Decarbonized Systems—Building Spatio-Temporal Uncertainties into Future Electricity Grid Planning

Future electricity grids will be characterized by the high penetration of renewables to support the decarbonization process. Yet, this transition will further expose grids to a broad spectrum of geophysical forces, such as weather and climate, land and space, minerals and materials. Understanding their role is thus important to support the grid decarbonization process. Here, we synthesize the current body of knowledge on the relationship between geophysical constraints and electricity grid planning. Additionally, we show that there have been promising advances in the data, methods, and modelling tools needed to incorporate the effect of geophysical constraints on demand, resource availability, and grid operations. There are, however, multiple research avenues that deserve further attention. More system-specific and finer-scale analyses are necessary to better understand how spatio-temporal variability---and associated uncertainty---in geophysical forces affect grid planning. Moreover, we need a broader focus on the multi-sectoral implications of grid decarbonization efforts, so as to limit the risk of unintended consequences. Importantly, all these efforts are challenged by the computational requirements of existing power system models, which often limit our ability to characterize uncertainty, scale analyses across larger domains, or study the multi-sector implications of grid expansion decisions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Utah FORGE 2-2439: A Multi-Component Approach to Characterizing In-Situ Stress: Laboratory, Modeling and Field Measurement - Workshop Presentation

This is a presentation on A Multi-Component Approach to Characterizing In-Situ Stress at the U.S DOE FORGE EGS Site: Laboratory, Modeling and Field Measurement project by Battelle [Columbus, OH], presented by Mark Kelley. The project's objective was to characterize stress in the Utah FORGE EGS reservoir using three methods: a laboratory rock-core stress estimation combined with a Machine Learning approach for estimation of in-situ stress from field sonic-log data, a field based in-situ measurement (min-frac) approach, and a modeling approach. This presentation was featured in the Utah FORGE R&D Annual Workshop on September 7, 2023. The workshop provided a valuable opportunity to explore the progress made in each of the 17 Research and Development projects funded under Solicitation 2020-1 which aim to enhance our understanding of the crucial factors influencing the development of Enhanced Geothermal Systems (EGS) reservoirs and resources.

15 GEOTHERMAL ENERGY↗

DOE OSTI2017

Expression system for structural and functional studies of human glycosylation enzymes

Vertebrate glycoproteins and glycolipids are synthesized in complex biosynthetic pathways localized predominantly within membrane compartments of the secretory pathway. The enzymes that catalyze these reactions are exquisitely specific, yet few have been extensively characterized because of challenges associated with their recombinant expression as functional products. We used a modular approach to create an expression vector library encoding all known human glycosyltransferases, glycoside hydrolases, and sulfotransferases, as well as other glycan-modifying enzymes. We then expressed the enzymes as secreted catalytic domain fusion proteins in mammalian and insect cell hosts, purified and characterized a subset of the enzymes, and determined the structure of one enzyme, the sialyltransferase ST6GalNAcII. Many enzymes were produced at high yields and at similar levels in both hosts, but individual protein expression levels varied widely. Furthermore, this expression vector library will be a transformative resource for recombinant enzyme production, broadly enabling structure–function studies and expanding applications of these enzymes in glycochemistry and glycobiology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Reconfigurable Network Slicing Orchestration in Network Function Virtualization Compatible Operational Technology Environment

The ongoing transition to Industry 4.0, which is characterized by increased inter-connectivity of cyber-physical systems, requires having time-sensitive, high throughput, and secure transfer of critical data in industrial sites. In this context, network slicing emerges as a critical tool to ensure timely data delivery by provisioning the network resources to cater to specific applications’ requirements and mitigating potential cyber attacks. To address these challenges, this paper aims to tackle two key questions essential for the successful implementation of network slicing in industrial environments. First, it investigates architectural considerations for developing a network infrastructure capable of supporting network slicing functionalities effectively. The proposed approach significantly improves deployment efficiency over traditional manual configurations. Second, it delves into the automated orchestration process, elucidating the steps and components involved in transitioning from a static network management approach to dynamically leverage network function virtualization schemes for creating network slices in ad-hoc manner. The system demonstrates high throughput suitable for production-level solutions and maintains exceptionally low latency, making it ideal for ultra-reliable low-latency communications. Even with increased network demands, the system remains stable, with effective Quality of Service (QoS) management, ensuring reliable performance under varying conditions. The proposed architecture outlines the necessary components, services, and communication protocols required for a production-level orchestrator for network segmentation in SCADA environments.

Rodiles Delgado, Brian G.↗