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DOE OSTI2024

Space charge dominated momentum spread and compensation strategies in the post-linac section of Proton Improvement Plan-II at Fermilab

The upcoming Proton Improvement Plan-II (PIP-II), designated for enhancements to the Fermilab accelerator complex, features a new 800 MeV superconducting linac and a Beam Transfer Line (BTL) to transport the beam to the existing Booster synchrotron. To mitigate the space charge tune shift associated with a high intensity accumulated beam, the low emittance linac beam is used to paint the ring phase space both transversely and longitudinally. To prevent losses caused by particles injected outside the rf separatrix while painting longitudinal phase space, the momentum spread of the incoming beam should not exceed 2.1 x 10^-4. Detailed simulations showed that due to space charge, the rms momentum spread increases to 4 x 10^-4 while it is transported in the BTL --about twice the allowable limit. In this paper, we outline a mitigation strategy involving a debuncher cavity. We discuss location, operating frequency, and gap voltage under both nominal and perturbed beam conditions, specifically accounting for momentum jitter. The impact of cavity misalignments is also assessed. The paper concludes by recommending an optimized configuration.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

ECP ST Capability Assessment Report (CAR) for VTK-m (FY20)

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on Exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors. The results of this project will be delivered in tools like ParaView, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures. One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyper threading and vector operations require even more parallel processing to leverage each core's full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures. The ECP/VTK-m project is building up the VTK-m codebase with the necessary visualization algorithm implementations that run across the varied hardware platforms to be leveraged at the Exascale. We will be working with other ECP projects, such as ALPINE, to integrate the new VTK-m code into production software to enable visualization on our HPC systems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Securing Vehicle Charging Infrastructure

As the US electrifies the transportation sector, cyber attacks targeting vehicle charging could bring consequences to electrical system infrastructure. This is a growing area of concern as charging stations increase power delivery and must communicate to a range of entities to authorize charging, sequence the charging process, and manage load (grid operators, vehicles, OEM vendors, charging network operators, etc.). The research challenges are numerous and are complicated because there are many end users, stakeholders, and software and equipment vendors interests involved. Poorly implemented electric vehicle supply equipment (EVSE), electric vehicle (EV), or grid communication system cybersecurity could be a significant risk to EV adoption because the political, social, and financial impact of cyberattacks - or public perception of such - ripples across the industry and has lasting and devastating effects. Unfortunately, there is no comprehensive EVSE cybersecurity approach and limited best practices have been adopted by the EV/EVSE industry. There is an incomplete industry understanding of the attack surface, interconnected assets, and unsecured interfaces. Thus, comprehensive cybersecurity recommendations founded on sound research are necessary to secure EV charging infrastructure. This project is providing the power, security, and automotive industry with a strong technical basis for securing this infrastructure by developing threat models, determining technology gaps, and identifying or developing effective countermeasures. Specifically, the team is creating a cybersecurity threat model and performing a technical risk assessment of EVSE assets, so that automotive, charging, and utility stakeholders can better protect customers, vehicles, and power systems in the face of new cyber threats.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Nuclide Inventory Benchmark for BWR Spent Nuclear Fuel: Challenges in Evaluation of Modeling Data Assumptions and Uncertainties

This work discusses challenges and approaches to uncertainty analyses associated with the development of a nuclide inventory benchmark for fuel irradiated in a boiling water reactor. The benchmark under consideration is being developed based on experimental data from the SFCOMPO international database. The focus herein is on how to address missing data in fuel design and operating conditions that are important for adequately simulating the time-dependent changes in fuel during irradiation in the reactor. The effects of modeling assumptions and uncertainties in modeling parameters on the calculated nuclide inventory were analyzed and quantified through computational models developed using capabilities in the SCALE code system. Particular attention was given to the impact of the power history and water coolant density on the calculated nuclide inventory, as well as to the effect of geometry modeling considerations not usually addressed in a nuclide inventory benchmark. These considerations include gap closure, channel bow, and channel corner radius, which do not usually apply to regular reactor operation but are relevant for assessing impacts of potential anomalous operating scenarios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Eucalyptus – An Analysis Suite for Fault Trees with Uncertainty Quantification

Eucalyptus is a novel code developed at Lawrence Livermore National Laboratory to incorporate uncertainty quantification into Fault Tree Analysis (FTA). This tool addresses the challenge of imperfect knowledge in “grey-box” systems by allowing analysts to incorporate and propagate uncertainty from component-level assessments to system-level effects. Eucalyptus facilitates a consistent evaluation of the impact of subject matter expert judgment and knowledge gaps on overall system response by Monte Carlo generation of possible system fault trees, sampling probabilities of the existence of subsystems and components. Here, the code supports the specification of fault trees through text and allows export to various formats, including auto-generated images, easing analysis and reducing errors. It has undergone extensive verification testing, demonstrating its reliability and readiness for deployment, and leverages on-node parallelism for rapid analysis. Example analyses are shown that include the identification of system failure paths and quantification of the value of further information about system components.

Fault Tree Analysis↗

DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems

To assess the economic value of batteries in hybrid PV-battery systems, one must create a dispatch profile for the battery. Many analyses of battery value assume perfect forecasts of PV generation and load, determining an upper limit on the value of the battery. Prior work that accounts for forecast uncertainty often does so in the context of a single dispatch algorithm, which does not provide a baseline for comparison. Furthermore, when multiple dispatch algorithms are assessed with uncertainty, the benefits considered are for diesel generation in a microgrid, not retail rate savings. This work addresses the gaps in the literature by comparing the performance of both heuristic and optimal dispatch algorithms for retail rate savings under forecast uncertainty, and provides comparisons of the robustness of these algorithms and their associated estimates of economic value. We find that using a perfect forecast can overestimate the value of hybrid PV-battery systems between 1% and 8% compared to the reality of using a day-ahead forecast, depending on the dispatch algorithm used. Thus, accounting for forecast uncertainty in system design and analysis will significantly improve the accuracy of modeled system values.

batteries↗

DOE OSTI2023

Impacts of Dispatch Strategies and Forecast Errors on the Economics of Behind-the-Meter PV-Battery Systems: Preprint

batteries↗

DOE OSTI2024

Status Quo and Gap Analysis of Heliostat Field Deployment Processes for Concentrating Solar Tower Plants

In this study, deployment of the solar field of a concentrating solar power plant is one of many factors that are integral to the success of a project. Knowledge transfer from outside the industry is limited due to the unique nature of heliostats, which redirect sunlight to a receiver with high precision while maintaining a high level of reflectivity. Moreover, learning from project to project can be limited due to the site-specific nature of projects, as the market includes several developers, each with their own unique design. In this paper, we discuss the state of the art in heliostat field deployment. We cover all the key aspects of deployment from project assessment to a fully functioning system, which include site selection, layout development, supply chain, assembly, site preparation and construction, calibration, and operations and maintenance. We then perform a gap analysis on field deployment and recommend priorities for future research.

14 SOLAR ENERGY↗

DOE OSTI2024

Assessing Historical Extreme Weather Event Impacts

Resilience planning, particularly energy and water resilience planning, has been a key priority for the federal government for many years, leading federal agencies to develop processes for identifying and addressing critical resilience gaps at their facilities and sites. Furthermore, recent federal policy is driving agencies to prioritize climate change impacts as a more central component of their resilience planning efforts. To achieve this, federal sites must understand their vulnerability to climate change, which involves identifying climate hazards projected to impact the site (known as exposure), as well as understanding the sensitivity (the degree to which a site, including its people and the things they value, could be harmed by that exposure), and adaptive capacity of the site (the degree to which the site could lessen bathe potential for harm by taking action to reduce exposure and sensitivity). To assess and understand sensitivity and adaptive capacity, it is important to first obtain a baseline and understand how a site has been impacted by past events, in addition to considering the potential for unprecedented impacts based on climate projections. This information paper highlights current limitations for developing event history assessments and suggests a framework for more consistently capturing key data points. The purpose of this paper is to help inform how organizations could begin structuring a comprehensive process for recording the impacts of extreme weather events in order to facilitate climate vulnerability assessments, and thus, resilience planning.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

CCUS Perspectives: Assessing Historical Contexts, Current Realities, and Future Prospects

CCUS technologies are crucial solutions for mitigating climate change by reducing CO2 emissions from industrial operations and energy sectors. This review critically examines the current state of CCUS technologies, and highlights advancements, challenges, regulatory frameworks, and future directions. It comprehensively analyzes carbon capture methods, such as pre-combustion, post-combustion, and oxy-fuel combustion capture, while comparing their efficiencies and limitations. The review also explores carbon utilization techniques, such as direct and indirect utilization, emphasizing their potential applications and technological constraints. Additionally, it assesses various carbon storage methods, focusing on geological, ocean, and mineralization storage, and discusses their capacity, feasibility, and environmental implications. The study reviews the policy and regulatory frameworks, economic viability, market trends, and environmental sustainability of CCUS. By identifying research gaps and recommending future research priorities, this review aims to guide the development of more efficient/effective, and cost-effective CCUS technology, ensuring their role in a sustaining low-carbon future. This review provides a forward-looking perspective, a critical and interdisciplinary analysis that assesses the current state of CCUS technologies, and further provides a roadmap for future development.

Energy & Fuels↗

DOE OSTI2022

Development and Validation of a Non-Invasive, Chairside Oral Cavity Cancer Risk Assessment Prototype Using Machine Learning Approach

Oral cavity cancer (OCC) is associated with high morbidity and mortality rates when diagnosed at late stages. Early detection of increased risk provides an opportunity for implementing prevention strategies surrounding modifiable risk factors and screening to promote early detection and intervention. Historical evidence identified a gap in the training of primary care providers (PCPs) surrounding the examination of the oral cavity. The absence of clinically applicable analytical tools to identify patients with high-risk OCC phenotypes at point-of-care (POC) causes missed opportunities for implementing patient-specific interventional strategies. This study developed an OCC risk assessment tool prototype by applying machine learning (ML) approaches to a rich retrospectively collected data set abstracted from a clinical enterprise data warehouse. We compared the performance of six ML classifiers by applying the 10-fold cross-validation approach. Accuracy, recall, precision, specificity, area under the receiver operating characteristic curve, and recall–precision curves for the derived voting algorithm were: 78%, 64%, 88%, 92%, 0.83, and 0.81, respectively. The performance of two classifiers, multilayer perceptron and AdaBoost, closely mirrored the voting algorithm. Integration of the OCC risk assessment tool developed by clinical informatics application into an electronic health record as a clinical decision support tool can assist PCPs in targeting at-risk patients for personalized interventional care.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Assessing compounding climate-related stresses and development pathways on the power sector in the central U.S.

Future configurations of the power system in the central region of the USA are dependent on relative costs of alternative power generation technologies, energy and environmental policies, and multiple climate-induced stresses. Higher demand in the summer months combined with compounding supply shocks in several power generation technologies can potentially cause a “perfect storm” leading to failure of the power system. Potential future climate stress must be incorporated in investment decisions and energy system planning and operation. We assess how projected future climate impacts on the power system would affect alternative pathways for the electricity sector considering a broad range of generation technologies and changes in demand. We calculate a “potential supply gap” metric for each pathway, system component, and sub-region of the US Heartland due to climate-induced effects on electricity demand and power generation. Potential supply gaps range from 5% in the North Central region under mild changes in climate to 21% in the Lakes-Mid Atlantic region under more severe climate change. We find increases in electricity demand to be more important in determining the size of the potential supply gap than stresses on power generation, while larger shares of renewables in the power system contribute to lower supply gaps. Our results provide a first step toward considering systemic climate impacts that may require changes in managing the grid or on potential additional capacity/reserves that may be needed.

Gurgel, Angelo Costa↗

DOE OSTI2024

Preliminary Analysis of Advanced Reactor Spent Nuclear Fuel Storage, Transportation, and Disposal

Due to increased interest in advanced reactor deployment and their associated potential new fuel cycles, the U.S. Department of Energy (DOE) Spent Fuel and Waste Science and Technology (SFWST) program has begun to evaluate the possible implications of long term management and final disposition of the spent nuclear fuel (SNF) generated. Safely managing and dispositioning this SNF, along with any other associated radioactive waste, is the primary focus of this initial preliminary assessment. This paper summarizes efforts to evaluate the characteristics and packaging options for three types of advanced reactor SNF forms: (1) tristructural isotropic (TRISO), (2) metallic, and (3) irradiated fuel salt presented in the report titled “Storage, Transportation, and Disposal of Advanced Reactor Spent Nuclear Fuel and High-Level Waste”. TRISO and metallic SNF and their associated waste streams were emphasized because of the near-term anticipated demonstrations of X-energy’s Xe-100 and TerraPower and GE Hitachi’s Natrium advanced reactors. Preliminary information on spent fuel salts discharged from molten-salt reactors (MSRs) was also examined to provide a baseline for future efforts. All calculations and assumptions were based on publicly available information. This paper identifies several different reactors that produce either TRISO or metallic SNF as well as a few of the reactor and fuel characteristics used for the assessments. Based on these characteristics, calculations were performed to determine the applicability of packaging SNF into existing canister designs. The evaluations included geometric (e.g., dimension, volume) and mass/weight considerations, known operational approaches and loading procedures, physical and chemical considerations/conditions for storage environments, and as-loaded radiation, thermal, and criticality analyses to identify constraints on storage, transportation, and disposal. Gaps in publicly available data pertaining to reactor operation and/or fuel composition provide increased uncertainty in some evaluations. Additionally, uncertainty in packaging and SNF management operations provide additional uncertainty. However, preliminary conclusions can still be assessed through this work and are presented in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Microbial communities and biogeochemical functioning across peatlands in the Athabasca Oil Sands region of Canada: Implications for reclamation and management

Abstract Peatlands play an important role in global biogeochemical cycles and are essential for multiple ecosystem functions. Understanding the environmental drivers of microbial functioning and community structure can provide insights to enable effective and evidence‐based management. However, it remains largely unknown how microbial diversity contributes to the functioning of belowground processes. Addressing this gap in knowledge will provide a better understanding of microbial‐mediated processes in peatlands that are undergoing restoration or reclamation. This study assessed the changes in microbial community diversity and structure as well as soil function by measuring microbial respiration on a range of substrates from three natural fen types found in the Athabasca Oil Sands region of Alberta, Canada (a poor fen, a hypersaline fen, and a tree‐rich fen) and a nearby constructed fen undergoing reclamation following open pit mining. Overall, substrate induced respiration was significantly higher in the constructed fen. Alpha diversity of fungi and prokaryotes was highest in the tree‐rich fen, and the composition of microbial communities was significantly different between fens. Both fungal and prokaryotic communities were strongly related to pore water pH and temperature, with plant richness also contributing to the shape of fungal communities. In summary, microbial community structure reflects the underlying differences in soil condition across different fens but plays essential roles in the ecological functions of soil. These findings provide a new outlook for the management of peatlands undergoing post‐mining reclamation. Future research on peatland reclamation should consider the dynamic interaction between communities and ecosystem functionality, for which this study forms a useful baseline.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Diazotrophs Show Signs of Restoration in Amazon Rain Forest Soils with Ecosystem Rehabilitation

Biological nitrogen fixation can be an important source of nitrogen in tropical forests that serve as a major CO 2 sink. Extensive deforestation of the Amazon is known to influence microbial communities and the biogeochemical cycles they mediate. However, it is unknown how diazotrophs (nitrogen-fixing microorganisms) respond to deforestation and subsequent ecosystem conversion to agriculture, as well as whether they can recover in secondary forests that are established after agriculture is abandoned. To address these knowledge gaps, here we combined a spatially explicit sampling approach with high-throughput sequencing of nifH genes. The main objectives were to assess the functional distance decay relationship of the diazotrophic bacterial community in a tropical forest ecosystem and to quantify the roles of various factors that drive the observed changes in the diazotrophic community structure. We observed an increase in local diazotrophic diversity (α-diversity) with a decrease in community turnover (β-diversity), associated with a shift in diazotrophic community structure as a result of the forest-to-pasture conversion. Both diazotrophic community turnover and structure showed signs of recovery in secondary forests. Changes in the diazotrophic community were primarily driven by the change in land use rather than differences in geochemical characteristics or geographic distances. The diazotroph communities in secondary forests resembled those in primary forests, suggesting that at least partial recovery of diazotrophs is possible following agricultural abandonment. IMPORTANCE The Amazon region is a major tropical forest region that is being deforested at an alarming rate to create space for cattle ranching and agriculture. Diazotrophs (nitrogen-fixing microorganisms) play an important role in supplying soil N for plant growth in tropical forests. It is unknown how diazotrophs respond to deforestation and whether they can recover in secondary forests that establish after agriculture is abandoned. Using high-throughput sequencing of nifH genes, we characterized the response of diazotrophs’ β-diversity and identified major drivers of changes in diazotrophs from forest-to-pasture and pasture-to-secondary-forest conversions. Studying the impact of land use change on diazotrophs is important for a better understanding of the impact of deforestation on tropical forest ecosystem functioning, and our results on the potential recovery of diazotrophs in secondary forests imply the possible restoration of ecosystem functions in secondary forests.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Microstructure Experiments-Enabled MARMOT Simulations of SiC/SiC-based Accident Tolerant Nuclear Fuel System

We have undertaken an experimental-computational project that addresses a few key technology gaps associated with the use of SiC/SiC composites for light water reactor fuel cladding. Two principal endeavors in this project are to assess the irradiation-induced microstructural changes and swelling in SiC/SiC composites, and to characterize and model the porous oxide surface layer (when exposed to steam) along SiC recession that is detrimental to the clad integrity under accident conditions. The project tasks are: (i) ion irradiation and characterization (University of Tennessee, Knoxville), (ii) mechanical tests and analysis (University of South Carolina), (iii) steam exposure tests (Oak Ridge National Laboratory), (iv) electron microscopy and spectroscopic characterization (NC State University), (v) x-ray microscopy and reconstruction (University of South Carolina and NC State University), (vi) phase field modeling and simulations (NC State University and Idaho National Laboratory). The effects of 10 MeV Au ion irradiation at 350°C on the microstructure evolution in SiC/SiC composites are investigated at doses up to 400 displacements per atom (dpa) at the University of Tennessee, Knoxville. Atomic force microscopy and optical profilometry reveal irradiation induced axial and radial shrinkage of the fibers for doses greater than 10 dpa. Based on detailed electron microscopy characterization, the primary cause of the fiber shrinkage is attributed to irradiation-induced loss of carbon packets. Additionally, the multilayer PyC interface is observed to portray high resistance to irradiation damage. The mechanical response and failure mechanisms of un-irradiated samples is also assessed through loading tests and X-ray imaging at the University of South Carolina. Steam exposure tests are performed at the Oak Ridge National Laboratory in a facility that represents a reactor pressure vessel under a loss-of-coolant-accident scenario. The samples that are analyzed methodically in this report are tested for 32/31 hours at 1200°C with a velocity of 0.25 cm/s for the pressures: 0.1 MPa, 0.45 MPa, 0.92 MPa and 1.38 MPa. Scanning/transmission electron microscopy analysis conducted at the NC State University (NCSU) shows that the oxide layer thickness increases with the steam pressure. While the oxide layer is crystalline (α- cristobalite) for the pressures 0.45 MPa, 0.92 MPa and 1.38 MPa, the layer is amorphous at 0.1 MPa. Results from Raman spectroscopy have also confirmed the formation of α-cristobalite phase of SiO₂. The abrupt increase in the integrated Raman intensity ratio between steam pressures 0.1 and 0.45 MPa suggests the onset of accelerated crystallization. Non-destructive three dimensional X-ray microscopy/tomography (XCT) and computational image processing techniques are employed by the University of South Carolina to probe the porous oxidation features on SiC samples at varying pressures. Interestingly, most pores are observed to be located away from the surface as well as the oxide-SiC interface. The average oxide layer thickness assessed from the XCT analysis is seen to be in excellent agreement with the values determined through scanning electron microscopy analysis for the highest pressures where the oxide layer is relatively more uniform. A phase-field model developed by the NC State University and Idaho National Laboratory for simulating oxidation of SiC by steam captures the paralinear kinetics of SiC oxidation with a high degree of fidelity. Results from quasi-one-dimensional and two dimensional simulations show that the pores with oxidizing species lead to a higher volatilization rate. These simulations indicate that the enhanced apparent volatilization rates at higher pressures observed in experiments can be rationalized by the increased volatilization from the pores. The project team has also successfully developed the capability to import images from experiments for realistic evolution of the oxidizing microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Demonstration of MELCOR and MACCS Capabilities for Molten Salt Reactor Decay Heat Removal During both Normal Operations and Salt Spill Scenarios

This report provides a demonstration of MELCOR and MELCOR Accident Consequence Code System (MACCS) capabilities to perform a dose assessment for a Molten Salt Reactor (MSR) off-gas system. A primary containment system salt spill is used as the off-normal scenario, along with a normal operation dose assessment for comparison. This report discusses the tools, methods, and information used in this assessment so that it may be utilized as a starting point for future advanced reactor consequence analyses. This report also highlights several gaps, to include the need for reactor inventory information specific to advanced reactors, and the need for specific atmospheric transport models that take into account the unique deposition behaviors of tritium and carbon-14, and makes recommendations for closing these gaps. This report satisfies the DOE NE Milestone M4RD-21SN0601062.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

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

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

97 MATHEMATICS AND COMPUTING↗