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At least 379 records · Page 21

Horizontal Gene Transfer to a Defensive Symbiont with a Reduced Genome in a Multipartite Beetle Microbiome

Symbiotic mutualisms of bacteria and animals are ubiquitous in nature, running a continuum from facultative to obligate from the perspectives of both partners. The loss of functions required for living independently but not within a host gives rise to reduced genomes in many symbionts. Although the phenomenon of genome reduction can be explained by existing evolutionary models, the initiation of the process is not well understood. Here, we describe the microbiome associated with the eggs of the beetle Lagria villosa, consisting of multiple bacterial symbionts related to Burkholderia gladioli, including a reduced-genome symbiont thought to be the exclusive producer of the defensive compound lagriamide. We show that the putative lagriamide-producing symbiont is the only member of the microbiome undergoing genome reduction and that it has already lost the majority of its primary metabolism and DNA repair pathways. The key step preceding genome reduction in the symbiont was likely the horizontal acquisition of the putative lagriamide lga biosynthetic gene cluster. Unexpectedly, we uncovered evidence of additional horizontal transfers to the symbiont’s genome while genome reduction was occurring and despite a current lack of genes needed for homologous recombination. These gene gains may have given the genome-reduced symbiont a selective advantage in the microbiome, especially given the maintenance of the large lga gene cluster despite ongoing genome reduction.

59 BASIC BIOLOGICAL SCIENCES↗

Exploration ToolKit (ExTK)

The Exploration Toolkit (ExTK) is a reusable Extended Reality (XR) system developed for incorporating and exploring 3-Dimensional (3-D) computer aided design (CAD) models in XR, with a primary focus on Augmented Reality (AR). The ExTK consists of a Developer Mode and a User Mode. In Developer Mode, ExTK provides developers with the ability to easily import 3-D CAD models and activate desired exploration functionality and layout. Multiple models can be added to a single instantiation of the ExTK using Unity's Scene capability. Exploration functions include scaling, rotating, explode/contract, animations, hiding parts, submodules, and measurement functions. In User Mode, ExTK provides a menu system that allows users to select models and initiate exploration functions. ExTK is architected for reusability and developers can customize the ExTK layout and functions according to application needs. ExTK is designed to be hardware agnostic, although initial development focused on the Microsoft HoloLens as the primary deployment platform. The ExTK is developed using the Unity Game Engine Development Platform. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-1506 O

Klein, BrandonThorin↗

Theory of In-Cloud Activation of Aerosols and Microphysical Quasi-Equilibrium in a Deep Updraft

The microphysical quasi-equilibrium in an ascending adiabatic parcel is elucidated by an analytical theory in 0D with drastic simplifications. The theory predicts how in-cloud activation is most likely to be triggered by the onset of precipitation during sufficient ascent, with the ascent only needing to approach almost twice the cloud-base updraft speed aloft. The precipitation and cloud condensate mass fields are coupled in a closed system in a simplified version of the model. The initial state of no precipitation is unstable with respect to a perturbation. In the 2D phase space of both mass fields, there is a neutral line. Unstable growth of precipitation mass drives the system to cross the line into a regime of stability. An attractor is then approached consisting of precipitation mass balanced by accretion of cloud mass and fallout. The cloud-particle number concentration also approaches a stable equilibrium governed by the balance between in-cloud activation aloft from the inexorably increasing supersaturation during vertical acceleration and accretion of cloud droplets by precipitation. Dimensionless numbers characterizing the microphysical equilibria and their stability are derived mathematically, including a condensation–precipitation efficiency and an in-cloud activation efficiency. The theory explains common observations of the orders of magnitude of liquid water content in convective and stratiform clouds. Finally, sensitivity tests of the numerically integrated theoretical equations are documented with respect to variations in cloud condensation nucleus (CCN) aerosols and updraft speed. In conclusion, it is shown that this theory of in-cloud activation, with an increasing supersaturation during ascent, applies to both ice-only and liquid-only cloud.

54 ENVIRONMENTAL SCIENCES↗

Impact of Lateral Groundwater Flow and Subsurface Lower Boundary Conditions on Atmospheric Boundary Layer Development over Complex Terrain

Credible soil moisture redistribution schemes are essential to meteorological models, as lower boundary moisture influences the balance of surface turbulent fluxes and atmospheric boundary layer (ABL) development. While land surface models (LSMs) have vastly improved in their hydrologic representation, several commonly held assumptions, such as free-draining lower boundary, one-dimensional moisture flux, and lack of groundwater representation, can bias the terrestrial water balance. This study explores the impact of LSM hydrology representation on ABL development in the Weather Research and Forecasting (WRF) meteorological model. The results of summertime WRF simulations with Noah LSM, characterized by 2-m-thick soil and one-dimensional flow, are shown for a domain in the Colorado Rocky Mountain headwaters region. A reference WRF simulation is compared to 1) the same model with soil moisture initialized by the hydrologic model ParFlow; 2) a deep, free-draining simulation; and 3) WRF coupled to ParFlow, a three-dimensional, integrated groundwater-surface water model. Results show that both lateral transport of groundwater and the rate of drainage from the lower soil layer can weaken or reverse the coupling strength between evaporative fraction and ABL over a 5-month summer period. The resulting shifts in low-level moist convection in river valleys and thermally driven airflows yield strengthened anabatic upslope winds and perturbations to regional precipitation.

Forrester, Mary M.↗

A New Criterion to Improve Operational Drizzle Detection with Ground-Based Remote Sensing

Light shallow precipitation in the form of drizzle is one of the mechanisms for liquid water removal, affecting cloud lifetime and boundary layer dynamics and thermodynamics. The early formation of drizzle drops is of particular interest for quantifying aerosol–cloud–precipitation interactions. In models, drizzle initiation is represented by the autoconversion, that is, the conversion of liquid water from a cloud liquid water category (where particle sedimentation is ignored) into a precipitating liquid water category. Various autoconversion parameterizations have been proposed in recent years, but their evaluation is challenging due to the lack of proper observations of drizzle development in the cloud. This work presents a new algorithm for Classification of Drizzle Stages (CLADS). CLADS is based on the skewness of the Ka-band radar Doppler spectrum. Skewness is sensitive to the drizzle growth in the cloud: the observed Gaussian Doppler spectrum has skewness zero when only cloud droplets are present without any significant fall velocity. Defining downward velocities positive, skewness turns positive when embryonic drizzle forms and becomes negative when drizzle starts to dominate the spectrum. CLADS identifies spatially coherent structures of positive, zero, and negative skewness in space and time corresponding to drizzle seeding, drizzle growth/nondrizzle, and drizzle mature, respectively. We test CLADS on case studies from the Jülich Observatory for Cloud Evolution Core Facility (JOYCE-CF) and the Barbados Cloud Observatory (BCO) to quantitatively estimate the benefits of CLADS compared to the standard Cloudnet target categorization algorithm. We suggest that CLADS can provide additional observational constraints for understanding the processes related to drizzle formation better.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assimilation of Satellite-Derived Soil Moisture for Improved Forecasts of the Great Plains Low-Level Jet

In the context of forecasting societally impactful Great Plains low-level jets (GPLLJs), the potential added value of satellite soil moisture (SM) data assimilation (DA) is high. GPLLJs are both sensitive to regional soil moisture gradients and frequent drivers of severe weather, including mesoscale convective systems. An untested hypothesis is that SM DA is more effective in forecasts of weakly synoptically forced, or uncoupled GPLLJs, than in forecasts of cyclone-induced coupled GPLLJs. Using the NASA Unified Weather Research and Forecasting (NU-WRF) Model, 75 GPLLJs are simulated at 9-km resolution both with and without NASA Soil Moisture Active Passive SM DA. Differences in modeled SM, surface sensible (SH) and latent heat (LH) fluxes, 2-m temperature (T2), 2-m humidity (Q2), PBL height (PBLH), and 850-hPa wind speed (W850) are quantified for individual jets and jet-type event subsets over the south-central Great Plains, as well as separately for each GPLLJ sector (entrance, core, and exit). At the GPLLJ core, DA-related changes of up to 5.4 kg m–2 in SM can result in T2, Q2, LH, SH, PBLH, and W850 differences of 0.68°C, 0.71 g kg –2 , 59.9 W m –2 , 52.4 W m –2 , 240 m, and 4 m s –1 , respectively. W850 differences focus along the jet axis and tend to increase from south to north. Further, jet-type differences are most evident at the GPLLJ exit where DA increases and decreases W850 in uncoupled and coupled GPLLJs, respectively. Data assimilation marginally reduces negative wind speed bias for all jets, but the correction is greater for uncoupled GPLLJs, as hypothesized.

54 ENVIRONMENTAL SCIENCES↗

Transfer learning for metamaterial design and simulation

Abstract We demonstrate transfer learning as a tool to improve the efficacy of training deep learning models based on residual neural networks (ResNets). Specifically, we examine its use for study of multi-scale electrically large metasurface arrays under open boundary conditions in electromagnetic metamaterials. Our aim is to assess the efficiency of transfer learning across a range of problem domains that vary in their resemblance to the original base problem for which the ResNet model was initially trained. We use a quasi-analytical discrete dipole approximation (DDA) method to simulate electrically large metasurface arrays to obtain ground truth data for training and testing of our deep neural network. Our approach can save significant time for examining novel metasurface designs by harnessing the power of transfer learning, as it effectively mitigates the pervasive data bottleneck issue commonly encountered in deep learning. We demonstrate that for the best case when the transfer task is sufficiently similar to the target task, a new task can be effectively trained using only a few data points yet still achieve a test mean absolute relative error of 3 % with a pre-trained neural network, realizing data reduction by a factor of 1000.

Peng, Rixi↗

Initial High Temperature Inelastic Constitutive Model for Alloy 617

This report describes progress on a Alloy 617 inelastic constitutive model slated for inclusion in the ASME Boiler & Pressure Vessel Code in Code Case N-898 “Use of Alloy 617 (UNS N06617) for Class A Elevated Temperature Construction, Section III, Division 5” as part of an appendix on inelastic modeling. This appendix will provide a reference material model for A617 for use in conjunction with the ASME design by inelastic analysis criteria. This report focuses on the implementation and evaluation of an existing Alloy 617 model developed to represent the data collected at Idaho National Laboratory (INL) and Oak Ridge National Laboratory (ORNL) as part of the Alloy 617 Code Case experimental campaign. While the model accurately captures the cyclic stress/strain behavior of Alloy 617, it fails to capture the long-term creep and lower temperature tensile data. In addition, the model form is complicated and has over 50 configurable parameters. As such, we recommend the development of a simplified model, incorporating key features of the ORNL model but reducing the model complexity.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

BISON microstructure-based pulverization criterion in high burnup structure

To improve the economics of commercial nuclear power production, utilities are seeking to increase the allowable burnup limit of UO$_2$ fuel. One of the main factors that contributes to the current burnup limit of 62 GWd/MTU in commercial light water reactors (LWRs) is the risk of fine fragmentation or pulverization during a loss of coolant accident (LOCA). Pulverization primarily occurs at high burnups, especially when the high burnup structure (HBS) has formed. To allow the industry to pursue increased burnup and develop mitigation strategies, it is essential to have improved capability to predict the onset of pulverization. However, the mechanism of pulverization is not well understood, and the existing predictive capabilities implemented in the BISON fuel performance code are empirical in nature. In this report, mesoscale simulations are used to improve understanding of the formation mechanism of the HBS and how it responds during a LOCA transient, and inform development of a BISON pulverization criterion. A phase-field model was used to simulate the evolution of bubble pressure as a result of HBS formation. The simulations showed that gas atoms diffuse from grain interiors to the new grain boundaries created during HBS formation, and diffuse rapidly along these grain boundaries to reach existing bubbles. This causes an increase in bubble pressure in existing bubbles, leading to bubble growth during steady-state operation. To simulate the response of HBS bubbles to a LOCA transient, a newly developed phase-field model was used; in agreement with preliminary results from FY20, bubble size did not change significantly during the duration of the transient. A phase-field fracture model was used to study fragmentation patterns in the HBS, including using input from the phase-field model as initial conditions. Phase-field fracture simulations were used to determine a pulverization criterion for BISON. A function for the critical pressure for pulverization to occur was fit to data from the phase-field fracture simulations, and this function was implemented as a material property in BISON. For comparison, an analytical criterion for pulverization was developed and implemented within the same material property.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Connecting the Radiative Influences of Aerosol upon the Mass Flux Profiles of Shallow Cumuli across the Southeast Atlantic Ocean Basin and its Boundaries (Final Report)

The Atlantic Ocean covers approximately 25% of Earth’s surface and the atmosphere above it is home to a complex array of clouds and aerosols that have important influences on regional and global weather and climate. These influences must be accurately depicted in short range, medium range, seasonal, and climate forecast models. Conditions over the tropical Atlantic are particularly complex due to continental scale plumes of dust from the Sahara Desert and smoke from agricultural burning in Africa that drift across the Atlantic Ocean basin toward the Americas. These plumes are often found meandering in the lower atmosphere above shallow tropical clouds that form above the ocean surface, presumably mingling with these clouds on occasion due to convective mixing processes. Elevated dust and smoke particles absorb incoming sunlight and substantially warm the marine atmosphere in the layer in which they are present. This warming may alter the thermal stability of the marine atmosphere and may throttle or enhance the development of clouds, change their internal structure and the rate at which they precipitate. Alternatively, it may isolate the lower atmosphere from drier layers above enabling water vapor to accumulate near the ocean surface potentially leading to the development of deeper convection. Our study was organized around the principal concept of determining the impact of African smoke and dust plumes upon cloud development at ASI and understanding how a popular shallow convection parameterization used in models responds to the presence of this aerosol. We analyzed observations collected during the US Department of Energy (DOE) Layered Atlantic Smoke Interactions with Clouds (LASIC) campaign using the Atmospheric Radiation Measurement Program’s Mobile Facility #1 (AMF-1), which was deployed to Ascension Island (ASI) in Southeastern Atlantic for a one-year period. Ascension Island is immediately downwind from an African source of these plumes, but far enough removed to enable the lower atmosphere to have reacted to their presence. A main goal of our study was to compute radiative heating rate profiles over Ascension Island and along the trajectory from the biomass burning regions along coastal Africa to Ascension Island. To compute the radiative heating rate due to aerosols and clouds, we employed observed profiles of temperature, humidity, and clouds from LASIC alongside aerosol optical properties from the Modern-era Retrospective analysis for Research and Applications Version 2 (MERRA-2), as input for the Rapid Radiation Transfer Model (RRTM). Radiative heating was also assessed across the southeast Atlantic Ocean using an ensemble of back trajectories from the Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) model. We were successful in this effort and the resulting publication is already being cited despite its relatively short lifetime in the literature. The second part of our study involved the process-level representation of the clouds observed over the Southeastern Atlantic in models. Our initial task, upon which the balance of this portion of the study depended, was to evaluate the representativeness of the clouds observed by AMF-1. What orographic influence did Ascension Island have on the measured cloud structure? We set out to answer this question by trying to separate observations that were clearly indicative of orographic forcing from those that were representative of open ocean. The siting of AMF-1, which was 340-m above sea-level on the slope of a steep escarpment, proved demonstrably problematic for cloud process measurements. Despite considerable effort using multiple approaches including artificial intelligence (AI), we were unable to successfully compensate for the orographic forcing present at the AMF-1 site on ASI and, hence, produce process-level summaries of the convective mass flux representative of open ocean over the Southeastern Atlantic. Even though the project has officially ended, we are making a final attempt using two new types of clustering algorithm (i.e., AI) on the recommendation of a former student, who is an expert in this area. Since we have only recently begun to test these new AI schemes, the recommendations from the second part of our project outlined below are based on our experience at the time of this report.

54 ENVIRONMENTAL SCIENCES↗

PELICAN Design, Test Planning, and Commissioning Results

To support design efforts for the Versatile Test Reactor (VTR) core assemblies, an experimental facility has been designed and constructed at Argonne National Laboratory to match the hydraulic flow conditions within the VTR’s primary heat transport system (PHTS). This facility, the Pressure drop Experimental Loop for Investigations of Core Assemblies in advanced Nuclear reactors, PELICAN, provides the ability to measure pressure drop across a full-scale fuel assembly containing prototypic axial reflectors, fuel, and plena components. The PELICAN facility was designed and built to offer maximum flexibility, allowing testing from short sub-sections all the way to the full-length core fuel assemblies. The report presents the high-level program objectives, a summary of the facility design, instrumentation, and control systems, and the testing procedure. The outcomes from facility characterization efforts and first test matrix results are then presented and then, finally, the conclusion contains a summary of the future work to be performed. This test facility was designed to match the hydraulic conditions of the flowing sodium in the VTR using water as a surrogate fluid. To do so, the water is elevated to a temperature of 110°C where its viscosity matches that of sodium, and with a 50-HP centrifugal pump, is capable of generating full scale flow rates to achieve prototypic Reynolds and Euler number flow conditions. To prevent boiling, the system is maintained at elevated pressure of at least 2.7-3.0 bar (40-44 psig). A set of 15 tests have been used to perform checkout activities in order to commission the device, survey the capabilities of PELICAN, and generate experimental data at isothermal conditions and over a range of flow rates up to 44 kg/s (700 GPM) to produce datasets used in the verification and validation of VTR design and modeling efforts. Initial testing focused on facility characterization, which assessed the operational capabilities of various control systems. The thermal control system was qualified, including the thermal response of the loop to the heat added by self- and auxiliary heaters, the chiller and heat exchanger systems for removing excess heat, and their coupled ability to maintain steady-state isothermal conditions as desired. Additionally, the pressure control system was verified to ensure necessary operating environments that promote pump health and prevent boiling of loop inventory at high temperatures could be met. With these systems in place, the first set of matrix tests have been carried out using orifice plates with inner diameters of 2.25-inches and 2.5-inches. Orifice plate flow behavior is well covered in scientific literature, and the results find good agreement with the measured pressure drop vs flow rate and those of theoretical predictions. This initial testing not only helps to validate the experiment, but it also produces a high quality data set for a geometry that is easily reproducible for simulations. Finally, the report is concluded with a discussion of the work to come and provides a snapshot of the test articles in the experimental pipeline whose designs are being inspired by the current designs from the VTR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

FY22 Progress Report on BISON Metallic Fuel Model Development and V&V Using EBR-II Legacy Data

In this report, the activities and achievements made by Argonne National Laboratory for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) BISON code metallic fuel validation and verification project in FY2022 are summarized. The FIPD-BISON integration powered metallic fuel low-burnup swelling framework has been enhanced to cover both radial and axial swelling analyses. Axial-dependent as-fabricated fuel radius profiles have been used to improve the accuracy in evaluating radial swelling strain. The simulations of the IFR experiment X447, which was focused on FCCI/CCCI induced cladding degradation and failure, have been converted into a BISON metallic fuel assessment case with detailed documentation, which is also the first FIPD-BISON integration powered assessment case in BISON. A FIPD-BISON integration repository has been established to be an optional submodule of BISON to support FIPD-BISON integration powered assessment cases. Preliminary trials to simulate the in-cell out-of-pile transient experiment have been made after implementing some essential models such as cladding plasticity models and liquid phase penetration models. The initial results are promising and help identify gaps that need to be filled in FY2023 and beyond, to eventually achieve OPTD-BISON integration powered assessment cases.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

IER: 121 Updates on the NeSO Benchmark [Slides]

NeSO stands for Neptunium Subcritical Observation. The presentation covers an overview, details of the sphere composition, decay, and modeling and initial results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Preliminary prediction of long-term aging and creep behavior of AM 316 SS

This report describes the development of initial mechanism models for the long term behavior of additively manufactured (AM), laser powder-bed fusion 316H stainless steel under the conditions expected in future advanced nuclear reactors. These models focus on key features of the material microstructure and response that differ from the conventionally-manufactured wrought material. Specifically, the report describes the development of models to capture the unique response of the AM material focusing on irradiation creep and swelling, the effect of internal stress, for example caused by dislocation structure, on precipitation, and the effect of the AM grain and dislocation structure on the macroscale creep and thermal aging behavior. This single mechanism models represent progress towards a complete, physics-based model for the long-term material behavior as well as elucidate key differences in the AM material behavior, when compared to the better-understood, conventionally-manufactured 316H.

36 MATERIALS SCIENCE↗

High-fidelity multiphysics load following and accidental transient modeling of microreactors using NEAMS tools: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The feasibility of modeling microreactors using high-fidelity models with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tools is investigated in this report. Three overarching questions guided this research: can NEAMS tools readily be applied for high-fidelity multiphysics modeling of different types of transients in microreactor designs; how accurate are the results obtained; and are improvements needed in accuracy or user experience of NEAMS tools, especially considering newly developed capabilities? This work builds upon FY-2022 work, and two microreactor concepts considering heat pipe (HP-MR) and gas-cooled (GC-MR) technologies were further analyzed using high-fidelity multiphysics simulations. The NEAMS tools considered and coupled within the MultiApp environment are Griffin for neutronics, BISON for thermo-mechanics, Sockeye for heat pipe modeling (in HP-MR), SAM for 1D Fluid – 3D solid modeling of coolant channels and system modeling of balance of plant components (in GC-MR), and the SWIFT code for hydrogen redistribution in hydride moderator. The Heat Pipe MicroReactor (HP-MR) concept was further analyzed in FY-2023 to demonstrate the stochastic TRISO failure modeling capability in BISON to check operational limits of the TRISO fuel. A new full-core Gas-Cooled MicroReactor (GC-MR) model was developed based on the initial assembly-model used in Y-2022 and used for steady-state and accidental depressurization transient simulations. Accuracy of the simulations performed was assessed through 1) verification analyses completed on the different physics with code-to-code comparison, and 2) validation of the multiphysics simulations based on modeling of the Kilopower Reactor Using Stirling Technology (KRUSTY) experiment. In FY-2023, the mesh and model of KRUSTY was updated to closely match publicly available data, and the neutronic model was verified and validated against experimental control rod worth measurements. The multiphysics model of KRUSTY was developed and used for steady-state analysis and for modeling reactivity insertion transient. The calculated power increase and stabilization agrees well with experimental data following adjustment in fuel thermal expansion coefficient. As an important component of this project, the ANL team gathered experience with a wide range of NEAMS tools: the MOOSE Mesh System, Griffin, BISON, SWIFT, Sockeye, SAM, Workbench, and the MOOSE MultiApp System, and provided assessment of new capabilities. Noteworthy are the user assessment of the “vapor-only” flow model in Sockeye and development of a multiphysics startup transient in HP-MR unit cell for use as tutorial in Sockeye. The full-core GC-MR model was used for assessment of SAM for balance of plant modeling and for demonstrating the SWIFT code capability for hydrogen redistribution modeling in multiphysics transient analyses. In this process, several bugs/issues were identified and reported to developers. Finally, the assembly GC-MR model developed in FY-2022 coupling Griffin, BISON and SAM through flow blockage and rod ejection transients was published to the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The Heat Pipe MicroReactor (HP-MR) concept high-fidelity multiphysics coupling of Griffin/BISON/Sockeye in load-following and heat pipe failure transients was also published on the VTB. Those submissions are enabling thorough review of these models as well as wide distribution to industry, regulator, and university users. In this analysis, several new research questions were uncovered, and follow-up analyses are recommended to further improve some models, consider additional transients, and continue development of VTB models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗