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NASA NTRS1998

Role of digitalis-like substance in the hypertension of streptozotocin-induced diabetes and simulated weightlessness in rats

We have examined the role of plasma Na+-K+ pump inhibitor (SPI) in the hypertension of streptozotocin induced insulin dependent diabetes (IDDM) in reduced renal mass rats. The increase in blood pressure (BP) was associated with an increase in extracellular fluid volume (ECFV), and SPI and a decrease in myocardial Na+,K+ATPase (NKA) activity, suggesting that increased SPI, which inhibits cardiovascular muscle (CVM) cell NKA activity, may be involved in the mechanism of IDDM-hypertension. In a second study, using prolonged suspension resulted in a decrease in cardiac NKA activity, suggesting that cardiovascular deconditioning following space flight might in part result from insufficient SPI.

NASA Discipline Regulatory Physiology↗

DOE OSTI2021

Novel Magnesium Pretreatment Coatings Offering Excellent Corrosion Protection

There is a growing interest in using magnesium alloys for automotive, industrial, and aerospace applications due to their low density, high strength-to-weight ratio, good machinability, and low cost. These alloys have the potential to lighten cars and aircraft, reducing fuel consumption and emissions. A major drawback to the use of magnesium alloys is their highly reactive nature, which can result in corrosion; as a result, most existing pretreatment systems for these alloys require the use of chromium, which is increasingly coming under regulatory pressures, as a corrosion inhibitor. Through a project funded by the Department of Energy and administered by the U.S. Automotive Materials Partnership (USAMP), PPG developed chromium-free metal pretreatment solutions for ZEK-100 and AZ21 magnesium alloys. In a major technical advance, several chromium-free cleaning and pretreatment processes were developed that offer excellent corrosion protection when compared to a typical automotive pretreatment systems. To expand the use cases for these systems beyond single-alloy substrates to broader multi-metal assemblies, these pretreatment solutions were also optimized for use in multi-metal applications: compatibility with magnesium and other metals was demonstrated without the need for additional process steps.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Progress on Near-Term Tasks for the Development of Advanced Reactor Mechanistic Source Term Modeling and Simulation Tools

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Progress on Long-Term Objectives for the Development of Advanced Reactor Mechanistic Source Term Modeling and Simulation Tools

To assist both the advanced reactor industry and U.S. Nuclear Regulatory Commission (NRC) in the pursuit of reactor design and licensing, the U.S. Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has established a mechanistic source term (MST) research project under the auspices of the Multiphysics Applications technical area. MST analysis is central to the reactor licensing process and a focus of the NRC regarding their mission to provide reasonable assurance of adequate protection of public health and safety and environment. The MST research project is a collaboration between Argonne National Laboratory (Argonne) and Sandia National Laboratories (SNL) with a high-level objective to coordinate the development of comprehensive advanced reactor MST mod/sim capabilities to support risk-informed design and licensing decisions. As part of this effort, an MST mod/sim development pathway was developed in FY21, which outlines the high-level objectives and near-term tasks necessary to achieve the project objectives. Since publication of the development pathway, Argonne and SNL have focused initial efforts on addressing the “near-term tasks” outlined in the report, and the current work provides a status update of the progress achieved in FY22. This report is a progress update on 6 tasks supporting molten salt reactor (MSR) and sodium fast reactor (SFR) MST analyses which were initiated in FY22 as recommended high priority near-term tasks. These tasks were continued into FY23 as they also support previously recommended long-term development objectives to advance MST analyses for these advanced reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1994

Extracellular matrix controls tubulin monomer levels in hepatocytes by regulating protein turnover

Cells have evolved an autoregulatory mechanism to dampen variations in the concentration of tubulin monomer that is available to polymerize into microtubules (MTs), a process that is known as tubulin autoregulation. However, thermodynamic analysis of MT polymerization predicts that the concentration of free tubulin monomer must vary if MTs are to remain stable under different mechanical loads that result from changes in cell adhesion to the extracellular matrix (ECM). To determine how these seemingly contradictory regulatory mechanisms coexist in cells, we measured changes in the masses of tubulin monomer and polymer that resulted from altering cell-ECM contacts. Primary rat hepatocytes were cultured in chemically defined medium on bacteriological petri dishes that were precoated with different densities of laminin (LM). Increasing the LM density from low to high (1-1000 ng/cm2), promoted cell spreading (average projected cell area increased from 1200 to 6000 microns2) and resulted in formation of a greatly extended MT network. Nevertheless, the steady-state mass of tubulin polymer was similar at 48 h, regardless of cell shape or ECM density. In contrast, round hepatocytes on low LM contained a threefold higher mass of tubulin monomer when compared with spread cells on high LM. Furthermore, similar results were obtained whether LM, fibronectin, or type I collagen were used for cell attachment. Tubulin autoregulation appeared to function normally in these cells because tubulin mRNA levels and protein synthetic rates were greatly depressed in round cells that contained the highest level of free tubulin monomer. However, the rate of tubulin protein degradation slowed, causing the tubulin half-life to increase from approximately 24 to 55 h as the LM density was lowered from high to low and cell rounding was promoted. These results indicate that the set-point for the tubulin monomer mass in hepatocytes can be regulated by altering the density of ECM contacts and changing cell shape. This finding is consistent with a mechanism of MT regulation in which the ECM stabilizes MTs by both accepting transfer of mechanical loads and altering tubulin degradation in cells that continue to autoregulate tubulin synthesis.

Non-NASA Center↗

DOE OSTI2021

Novel Magnesium Pretreatment Coatings Offering Excellent Corrosion Protection

36 MATERIALS SCIENCE↗

DOE OSTI2022

DECOVALEX-2019: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems

The DECOVALEX Project is an international research collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative, now running for almost 30 years, was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel, and also for a range of other sub-surface engineering activities. DECOVALEX emphasizes joint analysis and comparative modeling of state-of-the-art field and laboratory experiments, across a range of host rock options and repository designs. Participating research teams are from radioactive waste management organizations, national research institutes, regulatory agencies, universities, and consulting groups, providing a wide range of perspectives and solutions to these complex problems. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2019, started in 2016 and ended in 2019. Modeling teams from 13 international partner organizations participated in the comparative evaluation of seven modeling tasks involving complex field and/or laboratory experiments. Furthermore, this Virtual Special Issue on DECOVALEX-2019 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes.

58 GEOSCIENCES↗

DOE OSTI2020

Role of diversity-generating retroelements for regulatory pathway tuning in cyanobacteria

Abstract Background Cyanobacteria maintain extensive repertoires of regulatory genes that are vital for adaptation to environmental stress. Some cyanobacterial genomes have been noted to encode diversity-generating retroelements (DGRs), which promote protein hypervariation through localized retrohoming and codon rewriting in target genes. Past research has shown DGRs to mainly diversify proteins involved in cell-cell attachment or viral-host attachment within viral, bacterial, and archaeal lineages. However, these elements may be critical in driving variation for proteins involved in other core cellular processes. Results Members of 31 cyanobacterial genera encode at least one DGR, and together, their retroelements form a monophyletic clade of closely-related reverse transcriptases. This class of retroelements diversifies target proteins with unique domain architectures: modular ligand-binding domains often paired with a second domain that is linked to signal response or regulation. Comparative analysis indicates recent intragenomic duplication of DGR targets as paralogs, but also apparent intergenomic exchange of DGR components. The prevalence of DGRs and the paralogs of their targets is disproportionately high among colonial and filamentous strains of cyanobacteria. Conclusion We find that colonial and filamentous cyanobacteria have recruited DGRs to optimize a ligand-binding module for apparent function in signal response or regulation. These represent a unique class of hypervariable proteins, which might offer cyanobacteria a form of plasticity to adapt to environmental stress. This analysis supports the hypothesis that DGR-driven mutation modulates signaling and regulatory networks in cyanobacteria, suggestive of a new framework for the utility of localized genetic hypervariation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Protocol for applying a network-enabled gene discovery pipeline to non-model plant species

Identifying upstream regulators of key genes is essential for understanding gene regulatory mechanisms and translating these insights into functional targets. Here, we present a protocol for applying the network-enabled gene discovery pipeline (NEEDLE) to non-model plant species. We describe steps for environment setup, data preparation, computational analysis, expected outputs, and parameter considerations. NEEDLE integrates RNA sequencing (RNA-seq) processing, weighted gene co-expression analysis (WGCNA), Gene Network Inference with Ensemble of trees (GENIE3), and promoter conservation analysis to prioritize candidate transcriptional regulators.

Plant Sciences↗

DOE OSTI2022

Regulatory Treatment of Non-Core Sources of Radioactivity for Advanced Reactor Designs

The recent resurgence in advance (non-light water) reactor development has been paralleled by the development of risk-informed performance-based (RIPB) licensing pathways. Specifically, the creation of the RIPB Licensing Modernization Project (LMP) approach and subsequent endorsement by the U.S. Nuclear Regulatory Commission (NRC) now provides advanced reactor vendors with a defined RIPB method to develop an affirmative safety case for licensing. In addition, the Technology Inclusive Content of Applications Project (TICAP) has published guidance on developing a license application based on the LMP approach. To support the utilization of risk information as part of advanced reactor design and licensing efforts, the American Society of Mechanical Engineers (ASME)/American Nuclear Society (ANS) Joint Committee on Nuclear Risk Management (JCNRM) has developed a probabilistic risk assessment (PRA) standard for advanced reactors. The standard, which was formerly approved by the American National Standards Institute (ANSI) in 2021 and recently endorsed by the NRC in trial use Regulatory Guide (RG) 1.247, is an integral standard, covering from initiating events to offsite consequence. A major feature of the standard is that it permits the inclusion of any source of radioactivity material at the site within the plant PRA. Therefore, non-core sources of radioactivity, such as fuel storage, fuel processing, and purification systems, can be included within a single comprehensive plant PRA. For those advanced reactor vendors utilizing a RIPB licensing approach, there is an opportunity to include the non-core sources of radioactivity within the RIPB framework for licensing decision-making, such as the categorization of events, classification of structures, systems, and components (SSCs), and evaluation of the adequacy of defense-in-depth (DID). For advanced reactor designs that contain multiple non-core sources of radioactivity, or for monolithic plant sites that include associated fuel facilities, this approach could potentially simplify licensing applications through the use of a single, uniform, and consistent decision-making framework across all radioactive sources at the site. In addition, a RIPB approach could provide additional insights regarding plant behavior, flexibility regarding licensing decision-making, and potentially allow the use of risk information as part of the plant oversight process. Risk-informing these aspects of advanced reactor licensing would also be consistent with the NRC’s risk policy statement. However, there is diverse regulation and guidance regarding the licensing of non-core sources of radioactivity and generally limited experience using RIPB approaches for the evaluation as part of licensing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1997

Detection of chaotic determinism in time series from randomly forced maps

Time series from biological system often display fluctuations in the measured variables. Much effort has been directed at determining whether this variability reflects deterministic chaos, or whether it is merely "noise". Despite this effort, it has been difficult to establish the presence of chaos in time series from biological sytems. The output from a biological system is probably the result of both its internal dynamics, and the input to the system from the surroundings. This implies that the system should be viewed as a mixed system with both stochastic and deterministic components. We present a method that appears to be useful in deciding whether determinism is present in a time series, and if this determinism has chaotic attributes, i.e., a positive characteristic exponent that leads to sensitivity to initial conditions. The method relies on fitting a nonlinear autoregressive model to the time series followed by an estimation of the characteristic exponents of the model over the observed probability distribution of states for the system. The method is tested by computer simulations, and applied to heart rate variability data.

Non-NASA Center↗

DOE OSTI2022

Disentangling direct from indirect relationships in association networks

Networks are vital tools for understanding and modeling interactions in complex systems in science and engineering, and direct and indirect interactions are pervasive in all types of networks. However, quantitatively disentangling direct and indirect relationships in networks remains a formidable task. Here, we present a framework, called iDIRECT (Inference of Direct and Indirect Relationships with Effective Copula-based Transitivity), for quantitatively inferring direct dependencies in association networks. Using copula-based transitivity, iDIRECT eliminates/ameliorates several challenging mathematical problems, including ill-conditioning, self-looping, and interaction strength overflow. With simulation data as benchmark examples, iDIRECT showed high prediction accuracies. Application of iDIRECT to reconstruct gene regulatory networks in Escherichia coli also revealed considerably higher prediction power than the best-performing approaches in the DREAM5 (Dialogue on Reverse Engineering Assessment and Methods project, #5) Network Inference Challenge. In addition, applying iDIRECT to highly diverse grassland soil microbial communities in response to climate warming showed that the iDIRECT-processed networks were significantly different from the original networks, with considerably fewer nodes, links, and connectivity, but higher relative modularity. Further analysis revealed that the iDIRECT-processed network was more complex under warming than the control and more robust to both random and target species removal ( P < 0.001). As a general approach, iDIRECT has great advantages for network inference, and it should be widely applicable to infer direct relationships in association networks across diverse disciplines in science and engineering.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

LLNS Request for Permanent Variance from 10 CFR 851 for Construction

Lawrence Livermore National Security, LLC (LLNS) requests variance from 10 CFR 851 (the Rule) for construction work at Lawrence Livermore National Laboratory (LLNL). The request is based upon successful application of similar variances granted to LLNS in continued support of the National Nuclear Security Administration (NNSA) initiative to streamline the delivery of line-item construction projects under $50 million. This request is aligned with the approved NA 50 safety approach. Experience gained in the construction of the new LLNL Emergency Operations Center (EOC) under the variance granted in June 2020 and construction preparations to date on the Digital Infrastructure Capabilities Expansion (DICE) under the variance granted April 2022 is very encouraging. There are strong indicators that a benefit has been realized by both the subcontractors executing the work and the Laboratory. The variance has permitted local/regional construction businesses contracted to Management & Operation Contractor operated facilities and lower tier subcontractors to bid, operate, execute, and comply with safety and health standards they utilize in their business outside of the Department of Energy (DOE) Complex. While compliance to standards that are as safe and healthful as those in 10 CFR 851: confusion, additional cost, and inefficiencies associated with the burden of compliance to an unfamiliar regulatory spectrum has been avoided. Safety and health performance on the construction project including the number of inspection and surveillance issues is comparable to other subcontractors and projects at LLNL executed under 10 CFR 851. This variance application was prepared according to the requirements in 10 CFR 851, Subpart D – Variances, § 851.31 Variance Process. This request is limited to subcontractor executed construction at LLNL.

42 ENGINEERING↗

DOE OSTI2025

Climate, air quality, and equity benefits from hydrogen substitution for fossil fuels used in process heat

Fossil fuel combustion for process heat in heavy industry accounts for ~15% of all United States CO 2 emissions and emits PM 2.5 and its precursors, emissions that have a disproportionate impact on minority populations. Decarbonizing process heat in the U.S. via hydrogen substitution presents an opportunity to reduce emissions of CO 2 and PM 2.5 and mitigate resulting exposure disparity. Here, we show that hydrogen substitution in steelmaking provides a large reduction in CO 2 emissions and air quality-related premature mortality, while hydrogen substitution in petroleum refining substantially benefits disadvantaged communities. When reductions in CO 2 emissions and premature mortality are monetized using standard regulatory values, we find that the sum of air pollution and climate benefits outweighs the difference in private cost associated with hydrogen substitution in steelmaking, regardless of the method of hydrogen production. The approach developed here can support evaluations of equity-focused decarbonization strategies in other industries and for specific sites.

08 HYDROGEN↗

DOE OSTI2020

Optimization of Energy Flow through Synthetic Metabolic Modules and Regulatory Networks in a Model Photosynthetic Eukaryotic Microbe

Photosynthetic organisms have recently gained considerable attention for a role in development of renewable energy sources. Genome-enabled systems biology methods, coupled with functional and synthetic genomics, present opportunities to develop sustainable and economical applications such as fuel production within the next 10 to 15 years. However, optimization of light-driven metabolism for biomass or biofuel production will require a detailed systems biology understanding of photosynthetic processes and cellular metabolism. Genome-scale metabolic models (GEMs) are at the core of systems analysis of cellular processes and form a common organizational framework for analyses of data resulting from functional genomics experimental work and computational studies. Therefore, there is a clear demand for high quality photosynthetic model organisms and the appropriate computational tools that enable systems analysis of light-driven metabolism. Through research conducted we expanded the currently available repertoire of photosynthetic GEMs to include the commercially valuable model diatom Phaeoctylum tricornutum. Diatoms have a peculiar and distinct evolutionary footprint and represent a major eukaryotic lineage that is taxonomically and functionally distinct from green and red algae and vascular plants. Therefore, the true potential for light-driven metabolism aimed at biofuel production remains poorly understood at a systems level for a large subset of the global diversity of photosynthetic organisms. The metabolic capabilities of P. tricornutum were comparatively modeled with those from other photosynthetic groups in order to elucidate the occurrence of metabolic traits within and between phototrophs. Additionally, this research resulted in significant extension of the COnstraints Based Reconstruction and Analysis (COBRA) Toolbox to accommodate the crucial need for infrastructure required for ‘omics data integration and analysis in the context of genome-scale models. Therefore, the proposed research achieved two important goals. First, within the broad scope of photosynthetic organisms, we functionally compared and, as a result, identified cellular processes that require optimization in order to enable deployment as biofuel feedstock. Second, the proposed research resulted in development of key computational infrastructure, which can be further extended to other biological systems, that is currently lacking but necessary for multiple ‘omics data integration.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Accelerated Materials Deployment in Advanced Nuclear Power Plants

The purpose of this report is to begin the development of a maximally efficient process for licensing and deploying new materials in Advanced Non-Light-Water Reactors (ANLWRs). Some new materials that are to be used in some new plants are seen as possibly introducing risks, because our understanding of those new materials’ behavior in the conditions generated by some novel plant designs is less complete than our understanding of the behavior of materials with long use histories in existing designs. In these cases, an approved code/standard or a code case to support the use of these materials in the novel design’s safety case may not exist for the regulator to utilize as part of the licensing determination. This circumstance creates the potential for an extremely long licensing process for new designs using new materials. The present strategy is to show how to manage these risks proactively, in such a way as to permit licensing decisions to be made in a timely manner, based on this risk management process. The present report outlines the gaps in the current codes to support deployment and use of novel materials and begins the development of the necessary risk management framework that is focused on the subject materials issues; it is based on risk-informed in-service surveillance practices, carried out in such a way as to compensate for current limitations in our state of knowledge. This development will enable licensing and deployment of the subject materials, conditional on the proactive surveillance process to be established. While this report is occasioned by limitations in our knowledge of certain materials issues that may arise in advanced designs, in-service surveillance is always done in order to compensate for a lack of knowledge: if we knew that components were not already failed and not trending toward failure, we would not perform surveillance, even in current-generation plants (except that prescriptive requirements would force us to do so). What is different about the surveillance program discussed here is that the issues are newer and the relevant experience base is less complete, so the surveillance presently contemplated may need to measure new things and/or measure them more often than has been traditional for surveillance coupons. The present report is devoted to the risk management framework and applies American Society of Mechanical Engineers Boiler and Pressure Vessel Code Section XI, Division [1] to establish the structure of a protocol for carrying out the necessary surveillance. These documents are generic: they do not tell us how often to surveille, or what to surveille, or what to measure, but rather how to determine those things, given certain technical inputs. The Regulatory Development R&D Program [2] is currently developing the companion supporting technical basis for the materials surveillance technology that, when completed and validated, can be used by owner/operator and NRC to implement a materials degradation management program for ANLWRs. This report also outlines salient points of discussion, positive potential outcomes, and potential concerns from industry and the USNRC. These aspects of the report intend to inform future work to develop a proposed technical process for adoption by the industry and endorsement by the USNRC to allow developers to propose a risk informed and conservative approach for the use of materials where operating experience/data and codes and standards may not exist for use of a novel material in an operating reactor environment. Additionally, such a technology could be leveraged to potentially reduce part of the upfront materials data requirements from ongoing long-term materials testing so that early action on license application could be undertaken by NRC, in parallel with the continuation of long-term data collection. This could accelerate the schedule for a first-of-a-kind ANLWR deployment or a nth-of-a-kind new materials insertion for established ANLWR designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Planning Considerations for Energy Storage in Resilience Applications. Outcomes from the NELHA Energy Storage Conference's Policy and Regulatory Workshop

This report presents the proceedings and lessons learned at a conference workshop that discussed the role of energy storage in supporting electric system resilience, which took place at the Natural Energy Laboratory of Hawaii Authority’s (NELHA) Conference on Energy Storage Trends and Opportunities in December 2018. Staff from the Pacific Northwest National Laboratory (PNNL) made two presentations on the topic of resilience: the first covering a conceptual framework for incorporating resilience into resource planning processes, and the second covering a tool developed for microgrid planning that can assist in identifying resource mixes that will meet site-specific resilience needs. Throughout the presentations, presenters and workshop participants discussed the obstacles to improving electric system resilience and potential solutions for overcoming them. Following the workshop, the authors conducted additional research to further contextualize the topics discussed at the workshop and to frame the resulting recommendations for future engagement on this subject by the Department of Energy and the national laboratories.

25 ENERGY STORAGE↗

DOE OSTI2023

Initial Characterization and Optimization of the Liquid Sampling-Atmospheric Pressure Glow Discharge Ionization Source Coupled to an Orbitrap Mass Spectrometer for the Determination of Plutonium

Plutonium measurements are essential to the nuclear forensics and safeguards community. The liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled with an Orbitrap mass spectrometer is a proven platform for uranium isotope ratio determinations. Here, this work expands the LS-APGD-Orbitrap platform capabilities by reporting the first-ever analysis of plutonium with the LS-APGD and the first-ever measurement of elemental plutonium with an Orbitrap mass spectrometer. This coupling has the potential to dramatically reduce the complex sample manipulations required for traditional analysis techniques employed for actinide isotope ratio determinations. As a first step toward the goal of simultaneous uranium and plutonium isotope ratio determinations, the initial characterization and optimization of the platform for the detection of plutonium are reported. Collision-induced dissociation modality settings were optimized to reduce water-related and other molecular clusters containing plutonium, maximizing 242 Pu 16 O 2 + responses. A design of experiments study was conducted to optimize the discharge conditions of the dual-electrode LS-APGD toward the responsivity of 242 Pu 16 O 2 +. The measurement sensitivity was determined from a Pu response curve, yielding a limit of detection of 10 fg (absolute) of total analyte when data was collected and processed with a Spectroswiss FTMS Booster X2 data acquisition system. Additionally, plutonium and uranium were measured in a simultaneous acquisition, and each analyte remained unaffected by the other. It is believed that the LS-APGD-Orbitrap platform could be a valuable addition to the nuclear forensics’ toolbox and, indeed, other scientific disciplines and regulatory communities in which rapid, high-resolution plutonium determinations are paramount.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗