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An editorial to the Special Issue on “Severe climate Risks”

The history of this Special Issue (https://www.sciencedirect.com/special-issue/10JD7LNJNQ0) indirectly dates back to the early 1990s, when the signature of the United Nations Framework Convention on Climate Change kicked-off an international political process based on one overarching and foundational principle: to avoid “dangerous anthropogenic interference with the climate system” at the global level. More than three decades later, such a principle remains central, though complementary aims made their way through the climate negotiation process, such as the importance of ensuring equity and justice, to give just one example here. Scientific knowledge also considerably progressed and we know more about the range of risks that climate change imposes and will continue to impose to the biosphere and humankind, worldwide and at all territorial levels. It is also clear that societal responses to these risks —“climate adaptation” as we know it— are increasingly happening, but definitely not at the pace of climate risk trends (Berrang-Ford et al., 2021, Erisken et al., 2021, Olazabal and Ruiz De Gopegui, 2021, Magnan et al., 2023a, Reckien et al., 2023, UNEP, 2023). As a result, concerns have emerged over the recent years in both the scientific and policy arenas around the idea that societies may not be able to address all climate risks, and that limits to adaptation and induced residual risks need to be considered more seriously. Such concerns further highlight the continuing importance of the imperative to minimise dangerous anthropogenic interference with the climate system, at any scale. But what does “dangerous interference” mean? How can we decide that we are entering the “dangerous” space, compared to a broader range of climate risks that would qualify as problematic but not necessarily “dangerous”? Who should make such a decision? Which conditions drive risk severity over time, including in the future? And what would be the environmental, economic, social and cultural implications of prioritising some climate risks over others? The Intergovernmental Panel on Climate Change (IPCC) was a pioneer in addressing such questions through the development of the “Key Risks” framing that describes those climate risks having the potential to become dangerous or “severe” over the course of this century (Schellnhuber et al., 2006, Schneider et al., 2007, Oppenheimer et al., 2014, O’Neill et al., 2022). The Fifth and Sixth assessment cycles (AR5 and AR6) went a step further by identifying about 120 Key Risks across regions and sectors, and clustering them into 8 “Representative Key Risks” covering a range of geographical systems (low-lying coasts, and to terrestrial and ocean ecosystems), sectors (critical infrastructure, living standards, human health, food security, and water security) and human dimensions (peace and mobility) (Oppenheimer et al., 2014, O’Neill et al., 2022). This Special Issue was born of the efforts of a range of authors, during the development of the IPCC AR6 main Assessment Report between 2019 and 2022, to characterise Key Risks and Representative Key Risks, and advance knowledge on what shapes “severe climate risks” conceptually as well as in the real-world. The series of papers forming this Special Issue is not intended to cover the topic exhaustively, but rather to give readers an overview through the following narrative: defining “severe climate risks” is highly challenging (Magnan et al., 2023b), but knowledge is expanding on the driving climate hazards (Tebaldi et al., 2023) and their implications on geographical systems, sectors and human dimensions, using here food security (Mirzabaev et al., 2023), human mobility (Gilmore et al., 2024) and peace (Buhaug et al., 2023) as illustrative examples. The overall intention is to support especially decision-makers, whatever the scale or sector considered, in asking severity-driven questions to identify sector- and context-specific “priority” risks from climate change.

54 ENVIRONMENTAL SCIENCES↗

Transmission Capacity Allocation in Zonal Electricity Markets

In this work, we propose a novel framework for modeling zonal electricity markets, based on projecting the constraints of the nodal network onto the space of the zonal aggregation of the network. The framework avoids circular definitions and discretionary parameters, which are recurrent in the implementation and study of zonal markets. Using this framework, we model and analyze two zonal market designs currently present in Europe: flow-based market coupling (FBMC) and available-transfer-capacity market coupling (ATCMC). We develop cutting-plane algorithms for simulating FBMC and ATCMC while accounting for the robustness of imports/exports to single element failures, and we conduct numerical simulations of FBMC and ATCMC on a realistic instance of the Central Western European system under the equivalent of 100 years of operating conditions. We find that FBMC and ATCMC are unable to anticipate the congestion of branches interconnecting zones and branches within zones and that both zonal designs achieve similar overall cost efficiencies (0.01% difference), whereas a nodal market design largely outperforms both of them (5.09% better than FBMC). These findings raise the question of whether it is worth it for more European countries to switch from ATCMC to FBMC, instead of advancing directly toward a nodal market design.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Jet energy scale and resolution measured in proton–proton collisions at $\sqrt{s}=13$ TeV with the ATLAS detector

Jet energy scale and resolution measurements with their associated uncertainties are reported for jets using 36–81 fb -1 of proton–proton collision data with a centre-of-mass energy of √s=13 TeV collected by the ATLAS detector at the LHC. Jets are reconstructed using two different input types: topo-clusters formed from energy deposits in calorimeter cells, as well as an algorithmic combination of charged-particle tracks with those topo-clusters, referred to as the ATLAS particle-flow reconstruction method. The anti-k t jet algorithm with radius parameter R=0.4 is the primary jet definition used for both jet types. This result presents new jet energy scale and resolution measurements in the high pile-up conditions of late LHC Run 2 as well as a full calibration of particle-flow jets in ATLAS. Jets are initially calibrated using a sequence of simulation-based corrections. Next, several in situ techniques are employed to correct for differences between data and simulation and to measure the resolution of jets. The systematic uncertainties in the jet energy scale for central jets (|η|<1.2) vary from 1% for a wide range of high-p T jets (250 T <2000 GeV), to 5% at very low p T (20 GeV) and 3.5% at very high p T (>2.5 TeV). The relative jet energy resolution is measured and ranges from (24±1.5)% at 20 GeV to (6±0.5)% at 300 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Can the Rate of a Catalytic Turnover Be Altered by Ligands in the Absence of Direct Binding Interactions?

Second sphere coordination effects ubiquitous in enzymatic catalysis occur through direct interactions, either covalent or non-covalent, with reaction intermediates and transition states. Here, we present herein evidence of indirect second sphere coordination effects in which ligation of water/alkanols far removed from the primary coordination sphere of the active site nevertheless alter energetic landscapes within catalytic redox cycles in the absence of direct physicochemical interactions with surface species mediating catalytic turnovers. Density functional theory, in situ X-ray absorption and infrared spectroscopy, and a wide array of steady-state and transient CO oxidation rate data suggest that the presence of peripheral water renders oxidation half-cycles within two-electron redox cycles over μ m -oxo-bridged trimers in MIL-100(M) more kinetically demanding. Communication between ligated water and the active site appears to occur through the Fe-O-Fe backbone, as inferred from spin density variations on the central μ m -oxygen 'junction'. Evidence is provided for the generality of these second sphere effects in that they influence different types of redox half-cycles or metals, and can be amplified or attenuated through choice of coordinating ligand. Specifically in the case of MIL-100(M) materials, the Cr isostructure can be made to kinetically mimic the Fe variant by disproportionately hindering oxidation half-cycles relative to the reduction half-cycles. Kinetic and spectroscopic inferences presented here significantly expand both the conceptual definition of second sphere effects as well as the palette of synthetic levers available for tuning catalytic redox performance through chemical ligation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Digitalization of an experimental electrochemical reactor via the smart manufacturing innovation platform

The exponential increase in data produced over the last two decades has revolutionized the way we collect, store, process, analyze, model, and interpret information to improve profitability. Manufacturing is no exception. How- ever, Smart Manufacturing, the digital practice, organization, workforce, and infrastructure transformation for collection and deployment of data and models at scale and at all levels of manufacturing, is a complex, costly, and labor-intensive journey that is still seeing slow adoption. The Clean Energy Smart Manufacturing Innovation Institute (CESMII), a national Manufacturing USA public-private partnership sponsored by the Department of Energy, is addressing this scaled use of data and modeling in manufacturing. CESMII has focused on how to col- lect and use operating data for numerous applications that improve productivity, precision, and performance of manufacturing operations from factory floor to supply chain using process simulation, predictive analytics, mon- itoring and control, and real-time optimization. Because contextualized data are key, CESMII has developed the Smart Manufacturing Innovation Platform (SMIP) to lower the barriers to the data that are needed to accelerate data-based model building, improve data visualization, and more quickly gain insights. Reusable, standards-based ways of doing data collection, ingestion, and contextualization are particularly important for scaling access and use of data. The SMIP uses a standards-based definition and construct for reusable information models called an SM Profile. When an SM Profile is used in conjunction with the SMIP, the SMIP ensures the availability of contextualized, operational data for model building. The present work demonstrates Smart Manufacturing and the application of the SMIP for building several data-centered models for the operation and control of an ex- perimental electrochemical reactor that reduces carbon dioxide (CO 2 ) gas to valuable liquid and gas chemicals, such as alcohols, olefins, and syngas. We describe how the SMIP plays a central role in more effective model building and we demonstrate how the electochemical reactor can be controlled and optimized for the desired products. Use of the SMIP involves the transmission of real-time sensor measurements to a cloud resource so that the operating data are available to all model building experts. The data collection and transmission process is fully automated to greatly reduce the need for manual manipulation of the data. Data-driven machine learning models are used for advanced real-time state estimation, real-time optimization, and model-based feedback control for the reactor. The application models are implemented as a system to monitor the data flow and control the electrochemical reactor with a single visualization interface. SM Profiles are used to demonstrate reusability of the information models for the reactor and the instrumentation. The application packages, algorithms, and user interfaces developed are cast as Docker images in a library to facilitate reusability of the application models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Null Space Monte Carlo Evaluation of the Plateau to River Model

The Plateau to River Groundwater Model (P2R Model) is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by CH2M HILL Plateau Remediation Company at the Hanford Site in Washington State. Figure 1-1 illustrates the P2R Model extents, discretization, and boundary conditions. The P2R Model provides a computational framework to simulate the F&T of contaminants in groundwater associated with the 200-PO-1, 200-UP-1, 200-BP-5, and 200-ZP-1 Groundwater Operable Units (OUs) in the Hanford Site Central Plateau. In addition, the model includes adjacent areas and facilities (e.g., the State Approved Land Disposal Site). Intended and anticipated uses of the model include calculating water levels, hydraulic gradients, and groundwater flows throughout the model domain (encompassing the 200 West and 200 East Areas) for use in subsequent F&T calculations for contaminants of concern and developing scale-appropriate, telescopic-mesh refinement models for detailed evaluation of areas within the model domain where required. The overall objective of the modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within the OU boundaries. The objective for the model development phase is to create a common modeling platform that can be used for investigations of the Central Plateau groundwater OUs and areas downgradient toward the Columbia River. The P2R Model calibration to historical data observed at the Hanford Site is documented in CP-57037, Model Package Report for the Plateau to River Model Version 8.3. The purpose of this environmental calculation is to describe a null space Monte Carlo (NSMC) evaluation was conducted with the historic calibration of the P2R model. Use of numerical groundwater models is always accompanied with uncertainty in the results produced by a model because models are approximations of reality. Thus, by definition, lack the detail to fully represent observed behavior. Use of numerical techniques, such as a NSMC analysis, can help in identifying and quantifying the potential uncertainties associated with a numerical model such as the P2R Model. Use of the NSMC approach results in 100 groundwater flow models that are variants of the calibrated P2R Model. These variant models can be used to evaluate uncertainty in model predictions made by the calibrated P2R Model for other analyses. A secondary purpose of the environmental calculation is to establish these variant models for use with other applications.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

An Error Analysis Toolkit for Binned Counting Experiments

We introduce the MINERvA Analysis Toolkit (MAT), a utility for centralizing the handling of systematic uncertainties in HEP analyses. The fundamental utilities of the toolkit are the MnvHnD, a powerful histogram container class, and the systematic Universe classes, which provide a modular implementation of the many universe error analysis approach. These products can be used stand-alone or as part of a complete error analysis prescription. They support the propagation of systematic uncertainty through all stages of analysis, and provide flexibility for an arbitrary level of user customization. This extensible solution to error analysis enables the standardization of systematic uncertainty definitions across an experiment and a transparent user interface to lower the barrier to entry for new analyzers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Exact reaction coordinates for flap opening in HIV-1 protease

The primary goal of protein science is to understand how proteins function, which requires understanding the functional dynamics responsible for transitions between different functional structures of a protein. A central concept is the exact reaction coordinates that can determine the value of committor for any protein configuration, which provide the optimal description of functional dynamics. Despite intensive efforts, identifying the exact reaction coordinates (RCs) in complex molecules remains a formidable challenge. Using the recently developed generalized work functional, we report the discovery of the exact RCs for an important functional process—the flap opening of HIV-1 protease. Our results show that this process has six RCs, each one is a linear combination of ~240 backbone dihedrals, providing the precise definition of collectivity and cooperativity in the functional dynamics of a protein. Applying bias potentials along each RC can accelerate flap opening by 10 3 to 10 4 folds. The success in identifying the RCs of a protein with 198 residues represents a significant progress beyond that of the alanine dipeptide, currently the only other complex molecule for which the exact RCs for its conformational changes are known. Our results suggest that the generalized work functional (GWF) might be the fundamental operator of mechanics that controls protein dynamics.

Science & Technology - Other Topics↗

Application of a Null-Space Monte Carlo Flow Model Set to the Composite Analysis Base Case Fate and Transport Modeling

The Plateau to River Groundwater Model (P2R Model) is a groundwater flow and contaminant fate and transport (F&T) simulation model used to support remedial activities conducted by CH2M HILL Plateau Remediation Company at the Hanford Site in Washington State. Figure 1-1 illustrates the P2R Model extents, discretization, and boundary conditions. The P2R Model is utilized in the Composite Analysis (CA) for the Hanford Site as the computational engine for computing F&T predictions as described in CP-60406, Hanford Site Composite Analysis Technical Approach Description: Groundwater. The model simulates contaminants of concern within the saturated zone of the uppermost aquifer beneath the Central Plateau and downgradient to the Columbia River. CP-57037, Model Package Report for the Plateau to River Model Version 8.3, documents the current version of the P2R Model including a description of the conceptual site model, model development and calibration, and limitations to the model application. The overall objective of the saturated zone modeling effort is to provide a basis for making informed remedial action decisions based on descriptions of current and expected future contaminant concentrations in groundwater at decision points within and downgradient of the Central Plateau of the Hanford Site. Specifically, the purpose of this environmental calculation is to describe the application of the hydraulic property fields and recharge parameters documented in ECF-HANFORD-20-0027, Null Space Monte Carlo Evaluation of the Plateau to River Model, to the CA flow and fate and transport simulation results to quantify the uncertainty in the simulated results due to input parameter selection. Use of numerical groundwater models is always accompanied with uncertainty in the results produced by a model because models are approximations of reality. Thus, by definition, models lack the detail to fully represent observed behavior. Use of numerical techniques, such as a NSMC analysis, can help in identifying and quantifying the potential uncertainties associated with a numerical model such as the P2R Model. The result of NSCM analysis is a set of F&T simulations that provide an estimate of the range of possible outcomes that are used to quantify the uncertainty in simulated concentrations produced using the base case simulations. The simulated concentrations from all simulations will support calculation of the uncertainty of the total dose calculated in a separate calculation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Cherenkov Telescope Array Will Test Whether Pulsars Generate the Galactic Center Gamma-Ray Excess

The GeV-scale gamma-ray excess observed from the region surrounding the Galactic Center has been interpreted as either the products of annihilating dark matter particles, or as the emission from a large population of faint and centrally-located millisecond pulsars. If pulsars are responsible for this signal, they should also produce detectable levels of TeV-scale emission. In this study, we employ a template-based analysis of simulated data in an effort to assess the ability of the Cherenkov Telescope Array (CTA) to detect or constrain the presence of this emission, providing a new and powerful means of testing whether millisecond pulsars are responsible for the observed excess. We find that after even a relatively brief observation of the Inner Galaxy, CTA will be able to definitively detect this TeV-scale emission, or rule out pulsars as the source of the Galactic Center Gamma-Ray Excess.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Lidar Buoy Data Dictionary: For the 2020 – 2021 California Deployments

Pacific Northwest National Laboratory (PNNL) manages two AXYS WindSentinel™ buoys (Buoys #120 and #130) on behalf of the U.S. Department of Energy (DOE) that collect a comprehensive set of meteorological and oceanographic (metocean) data to support resource characterization for wind energy offshore. The buoys have been deployed off the California coast in partnership with the Bureau of Ocean Energy Management (BOEM) from September 2020 through October 2021. One buoy was deployed within the Morro Bay Call Area offshore central California; the other buoy was deployed within the Humboldt Call Area off the coast of northern California. The measurements from the buoys are used to characterize the metocean conditions near potential locations for offshore wind lease areas and are uploaded to DOE’s Data Archive and Portal (DAP). Plots are updated on the DAP webpage to visualize the recent metocean measurements. This document serves as a data dictionary – or reference guide – for understanding and interpreting the data available from the buoys. This document includes: (1) specifications for the buoy instrumentation (Section 2.0) (2) description of each plot and definition of measured parameters (Section 3.0) (3) description of data files and naming convention (Appendix A) (4) reference guide of measurements and variables (Appendix B).

17 WIND ENERGY↗

PV Operations Software Transparency: A PVMAC Industry Snapshot

The rapid growth of photovoltaic (PV) deployment has increased reliance on software platforms for monitoring, workflow automation, diagnostics, and performance analytics. As these tools play a central role in asset management and operations and maintenance (O&M), greater transparency in methodologies, data handling, and validation practices benefits the broader PV ecosystem. To better understand current practices and identify opportunities for improved clarity and interoperability, 24 software providers contributed detailed responses through the PV O&M Analytics Collaborative (PVMAC) initiative, the first structured questionnaire of its kind in the industry, covering onboarding, interoperability, data quality, diagnostics, AI/ML, and other operational categories. These providers represent over 1.1 TW of solar assets under management. The analysis shows broad adoption of digital twins, AI/ML, and API integrations, but also highlights challenges in onboarding processes, inconsistent definitions and methodologies, variability in key performance indicator (KPI) calculations, and limited independent validation. Greater standardization, clearer documentation, and stronger validation frameworks could improve transparency, comparability, and trust across PV operations software platforms.

14 SOLAR ENERGY↗

Onshore U.S. Carbon Pipeline Deployment: Siting, Safety, and Regulation

Carbon capture, utilization, and storage (CCUS) technology has significant potential to reduce greenhouse gas (GHG) emissions and mitigate the impact of climate change, particularly in hard to decarbonize industrial and commercial sectors. CCUS involves capturing carbon dioxide (CO 2 ) from industrial processes or power generation and utilizing it for other purposes, such as enhanced oil recovery (EOR), or storing the captured CO 2 underground. CCUS technology can reduce the environmental impact of continued fossil fuel use while smoothing the transition to a low-carbon economy. CCUS can create new economic opportunities, such as the development of new industries and job creation, and can enhance energy security by diversifying energy sources. For these reasons, enabling CCUS has become a key objective of the Biden-Harris administration’s clean energy policy and has received bipartisan support. Despite its environmental and economic potential, CCUS faces multiple barriers to widespread deployment. One of the main challenges is the high cost and technical difficulty of implementing and operating large-scale CCUS infrastructure. CCUS remains a relatively expensive way to reduce carbon emissions (e.g., compared to solar photovoltaic technology’s displacement of coal generation). Additionally, financial incentives and supportive policies like those enacted to support solar photovoltaic development, especially at the state level, are inconsistent or nonexistent, which can discourage investment in CCUS projects. There are also technical challenges associated with safe and secure underground CO 2 storage and the development of new carbon utilization technologies. Public opposition to various aspects of CCUS technologies, ranging from concerns that CCUS will extend reliance on fossil fuels to CCUS infrastructure being sited in disadvantaged communities, is a growing challenge. This paper focuses on another significant barrier to broad CCUS deployment: the need for considerable expansion of the dedicated land-based CO 2 pipeline network in the United States to meet CCUS goals and the unique regulatory challenges to its development. To reach carbon emissions targets in the United States by 2050, CCUS technology will need to be supported by tens of thousands of miles of CO 2 pipelines. Estimates range from a minimum of roughly 29,000 pipeline miles (according to a 2020 Great Plains Institute study) to 66,000 pipeline miles (as per a 2021 Princeton University–led study). As of October 2022, however, the U.S. Department of Transportation (U.S. DOT) reports fewer than 5,400 miles of U.S. pipelines carrying CO 2 . This deficit—and what it means for the prospect of moving substantially larger quantities of CO 2 from source to use or storage—threatens to stifle the development of CCUS projects and technologies identified as an important tool to meet emissions targets. The current regulatory landscape facing CO 2 pipeline development can best be described as uncertain. At the federal level, the U.S. DOT Pipeline and Hazardous Materials Safety Administration (PHMSA) oversees safety regulation of pipelines transporting hazardous materials, including CO 2 upon commencement of operation. However, PHMSA’s definition of CO 2 as “a fluid consisting of more than 90 percent CO 2 molecules compressed to a supercritical state” has not been updated since its 1991 addition to the Federal Register. Because CO 2 can be transported in a gaseous, liquid, or supercritical state (indeed, the physical state of CO 2 can fluctuate within a single pipeline due to environmental changes), doubts persist about the extent of PHMSA’s purview—and raise questions about what, if anything, states should do to address this apparent gap. PHMSA has begun a major revision of its existing rules, but the agency does not expect a first draft before 2024. Economic oversight of CO 2 pipelines is even less clear. The Federal Energy Regulatory Commission (FERC) and Surface Transportation Board (STB)—which regulate the rates of interstate oil/natural gas and non-energy pipelines, respectively—have both declined jurisdiction over interstate CO 2 pipelines. This presumably leaves economic regulation to state and/or local governments, but few if any states have the laws or resources in place to oversee just and reasonable rates. Further, the interstate nature of CO 2 pipeline development creates questions around how different states should align their rate-making decisions. Onshore U.S. Carbon Pipeline Deployment: Siting, Safety, and Regulation Currently, regulatory responsibilities regarding CO 2 pipeline siting and permitting fall to state and local governments. The variety of laws and regulations across the country, however, creates a maze of requirements for pipeline developers to navigate. To secure necessary permits, most states require pipeline companies to be “common carriers” that provide transport service to the public at uniform rates. However, the specific definition of that term varies. Some states require clear evidence that a pipeline services the public, while others automatically deem any pipeline company transporting energy products or hazardous materials to be a “common carrier”—with little consideration for accessibility to third parties. Other states have eschewed common-carrier terminology entirely, placing private and publicly accessible pipelines on equal footing. Much like the variation in common-carrier requirements, laws governing eminent domain authority to secure rights-of-way (ROW) to commence construction on a planned pipeline route differ by state. Several states have no laws or rules governing CO 2 pipelines. In addition to creating questions about whether long-standing rules for other pipelines (e.g., natural gas or petroleum products) apply to CO 2 , this policy vacuum leaves local governments as the sole authority over sections of pipe within their boundaries. With dozens of counties along a given route, the probability of inconsistent regulation of the same pipeline is significant. Even in states with CO 2 pipeline laws in place, local regulatory attempts to address rising concerns over pipeline routing and safety have triggered lawsuits by pipeline companies seeking to delimit areas of federal, state, and local government responsibility. Meanwhile, legislators across the country have introduced bills to restrict the application of eminent domain to CO 2 pipeline projects, which could threaten a key means of securing ROW that companies cannot secure through negotiation with landowners. Taken separately, any of these regulatory issues—the narrow federal definition of CO 2 , FERC’s and STB’s decisions that CO 2 pipelines are not within their jurisdiction, and the considerable variation in state and local governments’ laws regulating CO 2 pipeline technologies—are extremely difficult to resolve. Adding the required scale of CO 2 pipeline expansion and the currently identified narrow window of time in which to reach climate target goals, the task becomes even more difficult—and raises a host of urgent questions for regulators. How should CO 2 be defined in federal regulations to ensure consistent safety standards across the country? What is the potential impact radius of a CO 2 pipeline rupture, and how should that inform local emergency response? In the absence of centralized federal oversight, what should state legislatures do to increase alignment for interstate CO 2 pipeline projects? This paper intends to serve as a primer for regulators and stakeholders who seek to better understand the regulatory challenges and opportunities facing this critical infrastructure.

42 ENGINEERING↗

Development of k{sub eff} in the unfolding process of the LOTUS reactor design

An innovative small thermal reactor concept named LOTUS, which is a pool-type reactor aimed at heat supply. The passive concept applied in the LOTUS and it has a separable core. It means that its core can passively unfold into four parts along its central axis only with the buoyancy and gravity when some accidents happen, especially the wall rupture of the pool caused by earthquake, aircraft impact and so on. This idea can effectively enhance the ability of pool-type reactor for resisting some severe accidents. We have executed some pre-computations in order to check a non-supercritical system for the transient simulation. In this paper, the development of k{sub eff} have been calculated by both stepwise steady-state and transient modes using Serpent, as well as including some sensitivity analyses about the k{sub eff} to unfolding velocity, inserting velocity of control rod (CR) and time step. The result showed that k{sub eff} value decreased definitely as the reactor unfolded and the consistent change exposed between the stepwise steady state and transient result when the unfolding angle varied from 0 to 1 degree. However, the stepwise steady state k{sub eff} negatively declined after that angle, which demonstrated that for such a dynamic unfolding change the transient mode was more suitable, peculiarly for considering delayed neutrons and neutron moderation. For sensitivity calculation, the k{sub eff} decreased more rapidly as the unfolding velocity and inserting velocity of CR increased, and a smaller time step corresponded to a more stable change. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Shaping High Efficiency, High Temperature Cavity Tubular Solar Central Receivers

High temperature solar receivers are developed in the context of the Gen3 solar thermal power plants, in order to power high efficiency heat-to-electricity cycles. Since particle technology collects and stores high temperature solar heat, CNRS (French National Center for Scientific Research) develops an original technology using fluidized particles as HTF (heat transfer fluid). The targeted particle temperature is around 750 °C, and the walls of the receiver tubes, reach high working temperatures, which impose the design of a cavity receiver to limit the radiative losses. Therefore, the objective of this work is to explore the cavity shape effect on the absorber performances. Geometrical parameters are defined to parametrize the design. The size and shape of the cavity, the aperture-to-absorber distance and its tilt angle. A thermal model of a 50 MW hemi-cylindrical tubular receiver, closed by refractory panels, is developed, which accounts for radiation and convection losses. Parameter ranges that reach a thermal efficiency of at least 85% are explored. This sensitivity analysis allows the definition of cavity shape and dimensions to reach the targeted efficiency. For an aperture-to-absorber distance of 9 m, the 85% efficiency is obtained for aperture areas equal or less than 20 m2 and 25 m2 for high, and low convection losses, respectively.

Gueguen, Ronny (ORCID:0000000252368638)↗

Bactericidal effectors of the Stenotrophomonas maltophilia type IV secretion system: functional definition of the nuclease TfdA and structural determination of TfcB

ABSTRACT Stenotrophomonas maltophilia expresses a type IV protein secretion system (T4SS) that promotes contact-dependent killing of other bacteria and does so partly by secreting the effector TfcB. Here, we report the structure of TfcB, comprising an N-terminal domain similar to the catalytic domain of glycosyl hydrolase (GH-19) chitinases and a C-terminal domain for recognition and translocation by the T4SS. Utilizing a two-hybrid assay to measure effector interactions with the T4SS coupling protein VirD4, we documented the existence of five more T4SS substrates. One of these was protein 20845, an annotated nuclease. A S. maltophilia mutant lacking the gene for 20845 was impaired for killing Escherichia coli , Klebsiella pneumoniae , and Pseudomonas aeruginosa . Moreover, the cloned 20845 gene conferred robust toxicity, with the recombinant E. coli being rescued when 20845 was co-expressed with its cognate immunity protein. The 20845 effector was an 899 amino-acid protein, comprised of a GHH-nuclease domain in its N-terminus, a large central region of indeterminant function, and a C-terminus for secretion. Engineered variants of the 20845 gene that had mutations in the predicted catalytic site did not impede E. coli , indicating that the antibacterial effect of 20845 involves its nuclease activity. Using flow cytometry with DNA staining, we determined that 20845, but not its mutant variants, confers a loss in DNA content of target bacteria. Database searches revealed that uncharacterized homologs of 20845 occur within a range of bacteria. These data indicate that the S. maltophilia T4SS promotes interbacterial competition through the action of multiple toxic effectors, including a potent, novel DNase. IMPORTANCE Stenotrophomonas maltophilia is a multi-drug-resistant, Gram-negative bacterium that is an emerging pathogen of humans. Patients with cystic fibrosis are particularly susceptible to S. maltophilia infection. In hospital water systems and various types of infections, S. maltophilia co-exists with other bacteria, including other pathogens such as Pseudomonas aeruginosa . We previously demonstrated that S. maltophilia has a functional VirB/D4 type VI protein secretion system (T4SS) that promotes contact-dependent killing of other bacteria. Since most work on antibacterial systems involves the type VI secretion system, this observation remains noteworthy. Moreover, S. maltophilia currently stands alone as a model for a human pathogen expressing an antibacterial T4SS. Using biochemical, genetic, and cell biological approaches, we now report both the discovery of a novel antibacterial nuclease (TfdA) and the first structural determination of a bactericidal T4SS effector (TfcB).

59 BASIC BIOLOGICAL SCIENCES↗

Event-by-event correlations between Λ ( Λ ¯ ) hyperon global polarization and handedness with charged hadron azimuthal separation in Au + Au collisions at s N N = 27 GeV from STAR

Global polarizations (P) of Λ (Λ¯) hyperons have been observed in non-central heavy-ion collisions. The strong magnetic field primarily created by the spectator protons in such collisions would split the Λ and Λ¯ global polarizations (ΔP=P Λ –P Λ ¯<0). Additionally, quantum chromodynamics (QCD) predicts topological charge fluctuations in vacuum, resulting in a chirality imbalance or parity violation in a local domain. This would give rise to an imbalance (Δn = N L –N R /< N L +N R > ≠0) between left- and right-handed Λ (Λ¯) as well as a charge separation along the magnetic field, referred to as the chiral magnetic effect (CME). This charge separation can be characterized by the parity-even azimuthal correlator (Δγ) and parity-odd azimuthal harmonic observable (Δa 1 ). Measurements of ΔP, Δγ, and Δa 1 have not led to definitive conclusions concerning the CME or the magnetic field, and Δn has not been measured previously. Correlations among these observables may reveal new insights. Furthermore, this paper reports measurements of correlation between Δn and Δa 1 , which is sensitive to chirality fluctuations, and correlation between ΔP and Δγ sensitive to magnetic field in Au+Au collisions at 27 GeV. For both measurements, no correlations have been observed beyond statistical fluctuations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development of a CPU/GPU portable software library for Lagrangian–Eulerian simulations of liquid sprays

The Lagrangian–Eulerian method is widely used for simulations of fuel sprays in turbulent combustion because of the advantage of treating the spray droplets as discrete points. One challenge of the Lagrangian–Eulerian method is the intense computational requirement when tracking the large number of Lagrangian particles needed for high fidelity. We have developed a performance-portable library, Grit, to track the Lagrangian particles in parallel on central processing unit (CPU) and graphics processing unit (GPU) accelerated high performance computing (HPC) architectures. Grit is a C++ library which employs Message Passing Interface (MPI) for distributed memory parallelism and Kokkos programming model for on-node shared memory parallelism with performance portability across different architectures of GPUs and multi-core/manycore CPUs. The parallel algorithms, key parallel kernels, and their performances on the pre-exascale supercomputer, Summit, are presented. Grit is coupled with a direct numerical simulation (DNS) solver, S3D, for multiphase simulations. A conservative formulation has been developed and implemented in Grit for phase coupling with thermodynamic consistency. The formulation separates the conservation of mass, momentum and energy from the physical models to prevent accidental violation of conservation laws due to inconsistent models. The formulation also enforces consistent definitions of enthalpies of the fuel for both phases and the latent heat of evaporation. Finally, simulations of turbulent particle-laden flow and the evaporation of dilute turbulent spray jet are performed to verify the software implementation, and to demonstrate the scalability of Grit for large-scale multiphase simulations.

97 MATHEMATICS AND COMPUTING↗