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At least 469 records · Page 26

Coherent structures in stably stratified wall-bounded turbulent flows

To date, a growing body of literature has documented the existence and impacts of coherent structures known as large- and very-large-scale motions within wall-bounded turbulent flows under neutral and unstable thermal stratification. These coherent structures can account for a considerable fraction of the overall turbulent transport and have been found to modulate small-scale turbulent fluctuations near the wall. In the context of stably stratified flows, however, the examination of such coherent structures has garnered relatively little attention. Stable stratification limits vertical transport and turbulent mixing within flows, which makes it unclear the extent to which previous findings on coherent structures under unstable and neutral stratification are applicable to stably stratified flows. In this study, we investigate the existence and characteristics of coherent structures under stable stratification with a wide range of statistical and spectral analyses. Outer peaks in premultiplied spectrograms under weak stability indicate the presence of large-scale motions, but these peaks become weaker and eventually vanish with increasing stability. Quadrant analysis of turbulent transport efficiencies (the ratio of net fluxes to their respective downgradient components) demonstrates dependencies on both stability and height above ground, which is evidence of morphological differences in the coherent structures under increasing stability. Amplitude modulation by large-scale streamwise velocity was found to decrease with increasing gradient Richardson number, whereas modulation by large-scale vertical velocity was approximately zero across all stability ranges. For sufficiently stable stratification, large eddies are suppressed enough to limit any inner–outer scale interactions.

Greene, Brian R. (ORCID:0000000343766818)↗

Spectral decomposition of human BCL2 bonded to a PROTAC

In this study, we have decomposed the linear infrared spectra and two-dimensional infrared spectroscopy of a VHL-recruiting Proteolysis-targeting chimera (PROTAC) complex with BCL-2 to understand the spectral signatures of this complex. Our findings show that both VHL and BCL-2 units have distinct spectral signatures that contribute to the total spectra in different regions. Furthermore, we observed that the interaction between VHL and BCL-2 within the PROTAC complex leads to unique spectral features, indicating a strong synergistic effect. Through detailed analysis, specific bands were identified that correspond to the vibrational modes of the individual components, as well as their interactive modes within the complex. This study provides valuable insight into the molecular interactions within the PROTAC complex, offering a deeper understanding of its structure and function. These insights could be pivotal in designing more efficient PROTACs for targeted protein degradation in therapeutic applications.

Nauta, Wiestke [University of Groningen]↗

Used Nuclear Fuel Management Using the Next Generation System Analysis Model

The U.S. Department of Energy (DOE) is leading the National effort to manage the back end of the nuclear fuel cycle, encompassing the safe transportation, storage/staging, and/or eventual disposal of used nuclear fuel (UNF) and high-level radioactive waste. The Next Generation System Analysis Model (NGSAM) is DOE’s discrete-event, agent-based simulation tool designed to model the full life cycle of UNF from reactor discharge to final disposal. NGSAM supports the DOE Office of Spent Fuel and High-Level Waste Disposition by enabling a detailed, scenario-based analysis of logistics, infrastructure, and shipping strategies. NGSAM replaces legacy models with a modern, flexible platform built on Repast Simphony and enhanced by the Process Analysis Tool. NGSAM simulates the movement and interaction of individual fuel assemblies with system components such as canisters, casks, railcars, and facilities. The model integrates with the Java Transportation Operations Model to plan and execute transportation scenarios, supporting both constrained and unconstrained resource allocation. Key features include customizable allocation and acceptance algorithms, detailed facility-level operations, and a Quick Edit tool for rapid scenario adjustments. NGSAM supports multimodal transportation modeling (e.g. rail, road, barge) and provides comprehensive cost, schedule, and infrastructure data. NGSAM utilizes data from sources such as DOE’s STANDARDS UNF database and DOE’s Stakeholder Tool for Assessing Radioactive Transportation, while also allowing user-defined inputs for scenario customization. NGSAM enables stakeholders to evaluate complex UNF management strategies, assess system performance under varying assumptions, and inform decision making for future infrastructure investments. Its modular architecture and integration with other Integrated Waste Management System tools make it a critical asset for planning the safe and efficient disposition of the Nation’s growing UNF inventory.

Craig, Brian [Argonne National Laboratory (ANL)]↗

A minimal SufB 2 C 2 complex functions as a [4Fe-4S] cluster scaffold in methanogenic archaea

Iron-sulfur clusters are essential cofactors in all domains of life, yet their biogenesis in obligately anaerobic archaea remains poorly understood. Here, we characterized the minimal two-protein SUF system in methanogenic archaea, composed solely of SufB and SufC. Using Methanococcus maripaludis as a model, we demonstrate that the SUF proteins from its native host form a stable SufB 2 C 2 heterotetramer that binds a [4Fe-4S] cluster via three conserved cysteines in SufC. Mutations of conserved cysteine and histidine residues of SufB do not impair cluster binding. The complex interacts with the SAM-containing methanogenesis marker protein 10 (MmpX), suggesting direct Fe-S cluster transfer from SufB 2 C 2 to target proteins. Mutational analysis of Methanothermococcus thermolithotrophicus proteins confirmed that SufC is the primary cluster-binding component, while SufB enhances ATPase and cluster transfer activities. Evolutionary comparisons suggest that this two-protein SUF system represents an ancestral form of Fe-S cluster biogenesis.

59 BASIC BIOLOGICAL SCIENCES↗

A Theoretical Analysis on the Dynamic Behavior and Electromechanical Response of PZT

Piezoelectric materials are used as a power source in stockpile components for safety and reliability assurances. The objective of this project is to gain insights into the fundamental pressure-induced behavior and electromechanical response of lead zirconate titanate (PZT). Specifically, to establish the basis for an accurate, physics-based material model for robust model-based design to rapidly optimize PZT-based materials and components for performance studies. Established ab-initio methods are used to interrogate and understand the dynamic behavior of PZT as a function of composition (50/50, 65/35, 80/20, 95/5) and dopants (La, Nb) to overcome the costly and time-consuming experimental methodologies. New cold curves for pure and doped single-crystal PZT are obtained as the reference equation-of-state (EOS). A negligible change in the pressure responses was observed for the systems and strains studied. Dielectric and piezoelectric responses of pure and doped single-crystal PZT were also calculated as a function of pressure. For undoped PZT, there is a clear and orderly pressure and composition dependence. For doped PZT, there is a significant increase in the responses, but the behavior is very disordered and inconclusive.

36 MATERIALS SCIENCE↗

Multiphase Species Transport Modeling for Molten Salt Reactors in the System Analysis Module: Generation, Decay, Deposition, and Extraction of Insoluble Fission Products

With the increase of interests in the design and deployment of advanced reactor systems, a desire for simulation tools supporting system analysis of reactor operation and safety is rising. Molten salt reactors (MSRs), one of the advanced reactor systems, utilize liquid fused salt fuel as both coolant and fuel. During operation, MSR generates insoluble fission products, including noble metals and gases. The buildup of these species in fuel salt presents safety concerns as they may deposit on surfaces of critical components and produce excessive decay heat, causing the failure of system components. Timely removal of these noble metals and gases would ensure the safe operation of the reactor system. The dynamic nature of salt fuel system, involving the generation, decay, deposition, and extraction of noble metals and gases, calls for robust species transport models to facilitate system analysis and monitoring, and design of efficient species removal components. This paper concentrates on the development of a computational framework for species transport, consisting of multiphase transport model formulation, mass transfer between phases, numerical implementation in MOOSE environment, verification through Method of Manufacture Solutions (MMS) and validation against experimental data from the Molten Salt Reactor Experiment (MSRE). Integrating this framework into the System Analysis Module (SAM) code further enhances SAM’s capabilities for advanced reactor analysis in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Correlation Between Weather Alerts and Grid Component Failures for Grid Alert

Weather events cause most grid failures. Often, we even get notifications on our phones to take cover or be prepared for an imminent event. If electric grid utilities had a similar warning that also included probable scenarios and the equipment involved, they could prepare and minimize the effects. Recent research at Idaho National Laboratory into electric grid risk analysis methods resulted in a tool that allows for the development of the most likely scenarios given failure probabilities of grid components. INL has a project with the U.S. Department of Energy’s Cybersecurity, Energy Security, and Emergency Response (CESER) program to develop a Grid Alert application that receives messages from the existing emergency alert system, filters and determines components possibly affected by the emergency event, calculates probable scenarios uses MASTERRI and then notifies the utility if there is significant risk. Historical failure data of elements that comprise the U.S. electric grid have been compiled by utilities and organizations such as the international regulatory body North American Electric Reliability Corporation (NERC). Nominal failure rates are obtained from this data. To make this tool possible, estimated failure rates are needed for different component types given the alert type, severity, and location. Historic weather-related grid element failures are correlated with historic weather events from Integrated Public Alert & Warning System (IPAWS). These correlated events and failures are used along with Bayesian updates from the historical norms to provide a modified failure rate for grid elements in the alert areas and calculate probable scenarios. This discusses the Grid Alert project plan but focuses on the data gathered and process used in determining failure rates for possible grid failure scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Leveraging Hydropower Multi-Sensor Data for Inference and Age-Informed Modeling

Increased demand of operational flexibility such as faster ramp up/down in generation, and more frequent start/stops are putting hydropower plants and their associated components in unprecedented stress. Consequently, these plants are at the high risk of extended and more frequent outage to accommodate unscheduled, and unexpected maintenance. Therefore, hydropower plants are in critical need of data driven and age-informed analysis for their regular and unscheduled operation. Yet not all hydropower plants are exhaustively equipped with sensors and/or measurement streams for their respective components – demanding solutions on how to detect, identify, and locate the cause of any event from the unobservable. Idaho National Laboratory (INL) analyzed the anonymized measurements and event records from the Hydropower Research Institute (HRI) to address this issue, as part of the Water Power Technologies Office (WPTO) funded one year multi-lab project. First, we investigated how time series of multiple sensor measurements can be leveraged to identify an event “root cause” as well as to develop an inference (i.e., estimate the unobservable) problem. INL also investigated how individual hydropower components’ reaction or response times vary across the pre-event, during event, and post-event conditions – enabling the hydropower dynamic models to be age-informed. Finally, the impact of clustering multi-sensor time series on short-term vibration prediction is analyzed. INL will present key findings from these analyses and recommend next steps for stakeholder adoption.

13 HYDRO ENERGY↗

Model-Based Investigation of Multi-Fault Interactions and Performance Degradation in Residential Heat Pump Systems

Faults in heat pump systems can significantly degrade performance, reduce efficiency, and accelerate component wear, leading to higher operating costs and maintenance demands. While numerous studies have investigated the impact of individual faults, the interactions between multiple concurrent faults remain insufficiently understood, despite their common occurrence in real-world operation. This study conducts a comprehensive simulation analysis of multiple simultaneous faults in a vapor compression heat pump using a validated heat pump design model (HPDM) tool. Detailed component-level modeling methods are implemented to examine performance sensitivity under combinations of refrigerant flow and heat exchanger faults. The results reveal complex fault interactions that can mask or amplify system deviations, challenging conventional diagnostic approaches. Findings from this work provide meaningful insights for the development of more robust fault detection and diagnosis algorithms, supporting improved reliability and energy efficiency in next-generation heat pump technologies.

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗

Pressure Spike in The LBNF Absorber Core s Gun Drilled Cooling Channel from an Accident Beam Pulse

The LBNF Absorber consists of thirteen 6061-T6 aluminum core blocks. The core blocks are water cooled with de-ionized (DI) water which becomes radioactive during beam operations. The cooling water flows through gun-drilled channels in the core blocks. The cooling water is supplied by the LBNF Absorber Radioactive Water (RAW) cooling system which is designed as per ASME B31.3 Normal Fluid Service [1]. An uninhibited beam accident pulse striking the water channels was identified as a credible accident scenario. In this study, it is assumed that the beam pulse hits the Absorber directly without interacting with any of the other upstream beamline components. The beam parameters used for the LBNF beam are 120 GeV, 2.4 MW with a 1.2 s cycle time. The accident pulse lasts for 10 μs. The maximum energy is deposited in the 3rd aluminum core block. For the sake of simplicity, it is assumed that the accident pulse strikes the 1 in. ID water channel directly. The analysis here simulates the pressure rise in the water during and after the beam pulse and its effects on the aluminum piping components that deliver water to the core blocks. The weld strengths as determined by the Load and Resistance Factor Design (LRDF) and the Allowable Strength Design (ASD) are compared to the forces generated in the weld owing to the pressure spike. A transient structural analysis was used to determine the equivalent membrane, peak, and bending stresses and they were com-pared to allowable limits.

43 PARTICLE ACCELERATORS↗

Pressure Spike in The LBNF Absorber Core s Gun Drilled Cooling Channel from an Accident Beam Pulse

he LBNF absorber consists of thirteen 6061-T6 aluminum core blocks. The core blocks are water cooled with de-ionized (DI) water which becomes radioactive during beam operations. The cooling water flows through gun-drilled channels in the core blocks. The cooling water is supplied by the LBNF absorber radioactive water (RAW) cooling system which is designed as per ASME B31.3 normal fluid service. An uninhibited beam accident pulse striking the water channels was identified as a credible accident scenario. In this study, it is assumed that the beam pulse hits the absorber directly without interacting with any of the other upstream beamline components. The beam parameters used for the LBNF beam are 120 GeV, 2.4 MW with a 1.2 s cycle time. The accident pulse lasts for 10 µs. The maximum energy is deposited in the 3rd aluminum core block. For the sake of simplicity, it is assumed that the accident pulse strikes the 1 in. ID water channel directly. The analysis here simulates the pressure rise in the water during and after the beam pulse and its effects on the aluminum piping components that deliver water to the core blocks. The weld strengths as determined by the Load and Resistance Factor Design (LRDF) and the Allowable Strength Design (ASD) are compared to the forces generated in the weld owing to the pressure spike. A transient structural analysis was used to determine the equivalent membrane, peak, and bending stresses and they were compared to allowable limits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Model Based Approach to Extract Health Information from Textual Data

In current nuclear power plants (NPPs) a large amount of condition-based data is being generated and stored to assess and monitor component health and performance. The format of this data can be either numeric (e.g., pump vibration data) or textual (e.g., condition report which assess component health). While assessing component health from numeric data can be performed with a large variety of methods, the extraction of information from textual data still remains a challenge. Natural language processing (NLP) methods are starting to be deployed in current NPPs mainly to filter out incident reports (IRs) that are not safety related by employing supervised machine learning methods. However, these methods do not really provide the quantitative information that might be contained in IRs. This paper presents an approach to extract information from textual data (e.g., from IRs, maintenance reports) that is based on NLP data analytics methods coupled with model-based system engineer (MBSE) models. NLP methods are employed to perform syntactic and semantic analyses. Syntactic analysis analyzes the grammatical structure of a sentence; such analysis includes: part of speech (POS) tagging (i.e., identification of grammatic elements of each string - e.g., nouns, verbs), named entity recognition (i.e., identification of text entities - e.g., names, dates, events), and relation extraction (e.g., coreference resolution). On the other hand, semantic analysis is designed to analyze the logic structure of a sentence. Through a specific set of rules, our methods can identify whether a sentence contains health information of a component (e.g., degraded performance, anomaly behavior) or the causal relationship between two events (i.e., a cause-effect pair). An innovative element of our approach is that semantic analysis relies on MBSE models to identify links between textual elements. MBSE are diagrams designed to represent system and component dependencies (from both a form and functional point of view). In our approach, MBSE models emulate system engineer knowledge about component/system architecture. This paper presents in detail how the integration of NLP methods and MBSE models is performed. Few analysis examples focusing on centrifugal pumps are presented.

97 - MATHEMATICS AND COMPUTING↗

Holistic Small-Signal Stability Analysis for Large-Scale Inverter-Intensive Power Systems with Coupled and Full-Order Dynamics from Control Systems and Power Networks

The increasing penetration of inverter-based resources (IBRs) into the existing power systems introduces tremendous benefits for enhanced sustainability but also poses inevitable challenges in terms of insufficient inertia, potential instability, and complex network dynamics, among others. However, the additional coupling introduced by the interactions among gridfollowing (GFL) and grid-forming (GFM) IBRs and the other components (i.e., synchronous generators [SGs], loads, and network, etc.) has not been clearly explored. A holistic, scalable, and quantitative stability analysis framework with the control systems and power networks is still missing. Here, in this paper, to fill in the technical gaps, a holistic small-signal model of the entire system with both rotating generation units and IBRs is established. An extended power flow model with operation dynamics from both generator control schemes and power networks is proposed to provide the varying steady-state operating points for small-signal modeling. The proposed method is compared with MATLAB solvers, and the results show that the proposed approach has a minimum calculation time, which can be less than 12 seconds for a large-scale power system with up to 2,000 buses. Furthermore, a quantitative method is developed to identify the impacts of IBRs on system performance with emphases on the potential stability issues with GFL IBRs, additional benefits of employing GFM IBRs, the feasibility of replacing SGs with GFM IBRs, and the impact of penetration level of different kinds of generation units. Finally, a field island power system is used to verify the proposed approach, and hardware-in-the-loop (HIL) tests are provided to further demonstrate the effectiveness of the proposed analysis.

14 SOLAR ENERGY↗

Thermal Management for a Novel Non-Heavy Rare-Earth Interior Permanent Magnet Machine

The work presents a thermal management solution for a novel non-heavy rare-earth permanent magnet machine being developed at Oak Ridge National Laboratory. The motor has been designed to minimize losses while maximizing performance for a range of speeds and power ratings. The novel motor design reduces rare-earth magnet usage, thereby avoiding supply chain issues. The motor component heat losses are established for operating windows and desired performance. These heat losses, along with windage losses, are being used to develop cooling solutions for different components of this machine. A novel thermal management solution for stators and rotors has been developed, and progress is presented in this paper. The stator cooling is achieved with the help of water-ethylene glycol flowing over the finned aluminum stator jacket, and rotor cooling with automatic transmission fluid passing through novel channels designed in the rotor laminations. The attempt is to establish effective cooling of the stator winding, laminations, and rotor magnets. A 3D conjugate heat transfer model has been developed for overall thermal analysis to establish a down- selected thermal management solution for the machine. The model, in addition to estimated component heat losses, includes windage losses and its impact on rotor and stator cooling. Overall, the work presents a workable thermal solution for the interior permanent magnet machine with potential for further improvements. Future work will involve establishing end winding and refinement of other end parts of the machine with the aim of establishing a robust thermal management solution. The work will also focus on different shapes (e.g., round, non-round, presence of wedges) of rotor-stator gaps and investigate windage losses and their impact on thermal management for higher rotational speeds for the machine.

30 DIRECT ENERGY CONVERSION↗

Cosmology and terrestrial signals of sexaquark dark matter

We investigate the hypothesis that sexaquarks, hypothetical stable six-quark states, could be a significant component of the dark matter. We expand on previous studies of sexaquark cosmology, accounting for the possibility that some relevant interaction cross sections might be strongly suppressed below expectations based on dimensional analysis. We update direct-detection constraints on stable sexaquarks comprising a subdominant fraction of the dark matter, as well as limits on the annihilation of an antisexaquark component from Super-Kamiokande. We argue that the scenario where sexaquarks comprise a O ( 1 ) fraction of the dark matter would require either a suppression of O ( 10 − 19 ) in sexaquark interactions with baryons, combined with a very high yield of net sexaquark number from the quark-hadron transition, or else a very strong suppression of the cross section for antisexaquark annihilation on nucleons ( 24 + orders of magnitude below the QCD scale). Independently, we find that a sexaquark component comprising more than O ( 10 − 3 ) of the dark matter can be excluded from direct-detection bounds, unless its scattering cross section is severely suppressed compared to the expected scale of strong and even electromagnetic interactions. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Colistin resistance plasmids dually enhance bacterial virulence and antibiotic resistance via surface polysaccharide biosynthesis

Plasmids carrying the mobilized colistin-resistance gene mcr-1 are prevalent among multidrug-resistant Gram-negative pathogens, yet their broad impact on bacterial physiology and virulence remains unclear. Here, we demonstrate that acquisition of an mcr-1 plasmid concurrently increases antimicrobial resistance and pathogenicity in Escherichia coli. On the same plasmid, the XRE-family transcriptional regulator EcaR cooperates with MCR-1 to activate the wec operon, driving biosynthesis of two surface polysaccharides: enterobacterial common antigen (ECA) and a high-molecular-weight O-chain. Expression of these surface polysaccharides increases bile resistance and virulence in a murine model and further elevates colistin resistance. MCR-1 enhances transcription of upstream genes in the wec operon, whereas EcaR directly activates an internal promoter (PwecE) to induce downstream gene expression. Thus, both components are required for surface polysaccharide expression, and deletion of either abolishes the phenotype. Genomic analysis of publicly available mcr plasmids reveals widespread co-occurrence of mcr-1 and ecaR on IncI2 and IncX4 plasmids, indicating their functional complementarity. These findings uncover a mechanism by which resistance plasmids remodel the bacterial surface, linking horizontal gene transfer to coordinated regulation of antimicrobial resistance and virulence.

Antimicrobial resistance↗

Validation of 3D cryoEM single-particle reconstruction correctness and handedness with Ewald's sphere correction

The correct description of quantum scattering places the observed scattering contributions on the Ewald's sphere and its Friedel mate copy. In electron microscopy, due to the large radius of the Ewald's sphere, these scattering contributions are typically merged during data analysis. We present an approach that separates and factorizes those contributions into real and imaginary components of the image. When an inverted solution is calculated, the map derived from the real component of the image generates an inverted solution, while the map derived from the imaginary component of the image generates an inverted and sign-flipped solution. Therefore, the sign of correlation between reconstructions derived from the real and imaginary components provides the automatic determination of handedness and additional validation for the quality of 3D reconstructions. The factorization and its implementation are robust enough to be routinely used in single-particle reconstructions, even at resolutions below the limit where the curvature of the Ewald's sphere affects the overall signal-to-noise ratio.

Chemistry↗

Detection of the pairwise kinematic Sunyaev-Zel’dovich effect and pairwise velocity with DESI DR1 galaxies and ACT DR6 and Planck CMB data

We present a 9.3⁢𝜎 detection of the pairwise kinematic Sunyaev-Zel’dovich (kSZ) effect by combining a sample of 913,286 Luminous Red Galaxies (LRGs) from the Dark Energy Spectroscopic Instrument Data Release 1 (DESI DR1) catalog and coadded Atacama Cosmology Telescope (ACT DR6) and Planck cosmic microwave background (CMB) temperature maps. This represents the highest-significance pairwise kSZ measurement to date. The analysis uses three ACT CMB temperature maps: coadded 150 GHz, total frequency maps, and a component separated Internal Linear Combination (ILC) map, all of which cover 19,000 square degrees of the sky from Advanced ACTPol observations conducted between 2017 and 2022. Comparison of the results of these three maps serves as a consistency check for potential foreground contamination that may depend on the observation frequency. An estimate of the best-fit mass-averaged optical depth is obtained by comparing the pairwise kSZ curve with the linear theory prediction of the pairwise velocity under the best-fit Planck cosmology and is compared with predictions from simulations. This estimate serves as a reference point for future comparisons with thermal SZ–derived optical depth measurements for the same DESI cluster samples, which will be presented in a companion paper. Finally, we employ a machine learning approach, trained on simulations to estimate the optical depth for 456,803 DESI LRG-identified clusters within the simulated mass range ( ≳ 10 13 ⁢𝑀 ⊙ ). These are combined with the measured kSZ signal to infer the individual cluster peculiar velocities, providing the opportunity to constrain the behavior of gravity and the dark sector over a range of cosmic scales and epochs.

Gong, Yulin [Cornell University] (ORCID:0000000346↗