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At least 127 records · Page 7

Field redefinitions can be nonlocal

We revisit the lore establishing the allowed space of field redefinitions and show that there are essentially no restrictions. Our conclusions hold to all orders in perturbation theory and for any dispersion relation. Field redefinitions can be nonlocal, symmetry breaking, or in certain cases have explicit dependence on spacetime. We address field redefinitions that can be resummed into the propagator, which demonstrates how to perform perturbative calculations away from the minimum in field space. Field redefinitions are used to derive higher-order Schwinger-Dyson equations, which imply multiparticle soft theorems. Non-standard field redefinitions are showcased using both relativistic and nonrelativistic examples.

effective field theories↗

Data-driven high-dimensional statistical inference with generative models

Crucial to many measurements at the LHC is the use of correlated multi-dimensional information to distinguish rare processes from large backgrounds, which is complicated by the poor modeling of many of the crucial backgrounds in Monte Carlo simulations. In this work, we introduce HI-SIGMA, a method to perform unbinned high-dimensional statistical inference with data-driven background distributions. In contradistinction to many applications of Simulation Based Inference in High Energy Physics, HI-SIGMA relies on generative ML models, rather than classifiers, to learn the signal and background distributions in the high-dimensional space. These ML models allow for interpretable inference while also incorporating model errors and other sources of systematic uncertainties. We showcase this methodology on a simplified version of a di-Higgs measurement in the bbγγ final state, where the di-photon resonance allows for background interpolation from sidebands into the signal region. We demonstrate that HI-SIGMA provides improved sensitivity as compared to standard classifier-based methods, and that systematic uncertainties can be straightforwardly incorporated by extending methods which have been used for histogram based analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Evaluating inkjet dispenser/liquid vortex capture-mass spectrometry for single-cell metabolomics in Hep G2 steatosis caused by tamoxifen

Single-cell mass spectrometry (MS) is advancing our understanding of metabolic pathways in heterogeneous cell populations; however, many techniques are slow or require disruptive sample preparations. This study evaluated coupling a modified HP D100 single-cell inkjet dispenser with liquid vortex capture-mass spectrometry (D100/LVC-MS). The D100 is a single-cell inkjet dispenser capable of titrating solutions and isolating single cells via disposable cassettes equipped with microfluidic channels and an impedance sensor. The LVC-MS enables high-throughput capture, lysis, and ionization of analytes for mass spectrometric analysis. The D100/LVC-MS system was characterized through titration and single-cell experiments. Propranolol titration demonstrated linearity across a broad concentration range using the D100/LVC-MS system. Additionally, Hep G2 hepatocarcinoma cells and Chlamydomonas reinhardtii algae were used to showcase the D100’s high-throughput or low-buffer-volume single-cell dispensing strategies. The D100/LVC-MS system’s performance was validated by evaluating tamoxifen-induced steatosis in Hep G2 cells. Tamoxifen, associated with nonalcoholic fatty liver disease in breast cancer patients following long-term use, was tested in Hep G2 cells at 20 µM for 72 h against DMSO-treated controls. High-throughput analysis of 500 cells per condition, completed in 25 min per run, demonstrated the system’s efficiency. The D100/LVC-MS system simultaneously quantified tamoxifen and measured triglycerides and phosphatidylcholines. Triglycerides were upregulated in the tamoxifen-treated cells and the results indicated two distinct cell populations, differing in tamoxifen and phosphatidylcholines levels, suggesting heterogeneity within the treated population. In conclusion, these findings highlight the D100/LVC-MS system as a cost-effective, high-throughput platform for single-cell metabolomics and lipidomics, with significant potential for evaluating metabolic alterations.

Chromatography↗

Non-close-packed plasmonic Bravais lattices through a fluid interface-assisted colloidal assembly and transfer process

Abstract The assembly of colloids at fluid interfaces followed by their transfer to solid substrates represents a robust bottom-up strategy for creating colloidal monolayers over large, macroscopic areas. In this study, we showcase how subtle adjustments in the transfer process, such as varying the contact angle of the substrate and controlling deposition speed and direction, enable the realization of all five two-dimensional Bravais lattices. Leveraging plasmonic core–shell microgels as the building blocks, we successfully engineered non-close-packed plasmonic lattices exhibiting hexagonal, square, rectangular, centered rectangular, and oblique symmetries. Beyond characterizing the monolayer structures and their long-range order, we employed extinction spectroscopy alongside finite difference time domain simulations to comprehensively investigate and interpret the plasmonic response of these monolayers. Additionally, we probed the influence of the refractive index environment on the plasmonic properties by two methods: first, by plasma treatment to remove the microgel shells, and second, by overcoating the resulting gold nanoparticle lattices with a homogeneous refractive index polymer film. Graphical Abstract

Chemistry↗

Uncertainty Estimation and Anomaly Detection in Chiral Effective Field Theory Studies of Key Nuclear Electroweak Processes

Chiral effective field theory (χEFT) is a powerful tool for studying electroweak processes in nuclei. I discuss χEFT calculations of three key nuclear electroweak processes: primordial deuterium production, proton-proton fusion, and magnetic dipole excitations of 48 Ca. Further, this article showcases χEFT’s ability to quantify theory uncertainties at the appropriate level of rigor for addressing the different precision demands of these three processes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Local Macroscopic Conservative (LoMaC) Low Rank Tensor Method for the Vlasov Dynamics

Abstract In this paper, we propose a novel Local Macroscopic Conservative (LoMaC) low rank tensor method for simulating the Vlasov-Poisson (VP) system. The LoMaC property refers to the exact local conservation of macroscopic mass, momentum and energy at the discrete level. This is a follow-up work of our previous development of a conservative low rank tensor approach for Vlasov dynamics ( arXiv:2201.10397 ). In that work, we applied a low rank tensor method with a conservative singular value decomposition to the high dimensional VP system to mitigate the curse of dimensionality, while maintaining the local conservation of mass and momentum. However, energy conservation is not guaranteed, which is a critical property to avoid unphysical plasma self-heating or cooling. The new ingredient in the LoMaC low rank tensor algorithm is that we simultaneously evolve the macroscopic conservation laws of mass, momentum and energy using a flux-difference form with kinetic flux vector splitting; then the LoMaC property is realized by projecting the low rank kinetic solution onto a subspace that shares the same macroscopic observables by a conservative orthogonal projection. The algorithm is extended to the high dimensional problems by hierarchical Tuck decomposition of solution tensors and a corresponding conservative projection algorithm. Extensive numerical tests on the VP system are showcased for the algorithm’s efficacy.

Guo, Wei↗

Velocity Extraction Using Complete Time-Domain Waveform Data and Audio Machine Learning

We developed a new machine learning-based tool for extracting information from interferometry measurements: MIDWAZE (Modular Interferometry Direct Waveform AnalyZEr). This paper showcases MIDWAZE’s ability to extract an object’s velocity information from Photonic Doppler Velocimetry (PDV) data at near-human accuracy with little to no human intervention. MIDWAZE can extract velocities roughly 350 times as fast as a human analyst "rushing" to complete their extractions, with similar extraction accuracy. MIDWAZE’s most outstanding feature is that it operates directly in waveform/temporal space, freeing analysis from certain limitations imposed by traditional spectrogram-based approaches and opening the way to "phase aware" PDV analysis. MIDWAZE also has limited ability to discriminate between different solid objects, which we develop as a first step towards automated discrimination of different kinds of objects such as ejecta clouds.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Causality-respecting adaptive refinement for PINNs: enabling precise interface evolution in phase field modeling

Physics-informed neural networks (PINNs) have emerged as a powerful tool for solving physical systems described by partial differential equations (PDEs). However, their accuracy in dynamical systems, particularly those involving sharp moving boundaries with complex initial morphologies, remains a challenge. Here, this study introduces an approach combining residual-based adaptive refinement (RBAR) with causality-informed training to enhance the performance of PINNs in solving spatio-temporal PDEs. Our method employs a three-step iterative process: initial causality-based training, RBAR-guided domain refinement, and subsequent causality training on the refined mesh. Applied to the Allen-Cahn equation, a widely-used model in phase field simulations, our approach demonstrates significant improvements in solution accuracy and computational efficiency over traditional PINNs. Notably, we observe an ‘overshoot and relocate’ phenomenon in dynamic cases with complex morphologies, showcasing the method’s adaptive error correction capabilities. This synergistic interaction between RBAR and causality training enables accurate capture of interface evolution, even in challenging scenarios where traditional PINNs fail. Our framework not only resolves the limitations of uniform refinement strategies but also provides a generalizable methodology for solving a broad range of spatio-temporal PDEs. The enhanced performance of the RBAR–causality combined framework demonstrates its strong potential for advancing PINN-based modeling of physical systems characterized by complex, evolving interfaces.

Allen-Cahn equations↗

Review: Recent advances of ToF-SIMS for environmental analysis and imaging

Background: Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis technique, initially developed and applied in inorganic materials and semiconductors. In past decades, ToF-SIMS has attracted more attention in its analysis capabilities of organic materials, with increased applications in biology, medical, and health development. It has also become a versatile and effective tool in environmental analysis due to its high mass resolution, mass accuracy, and depth profiling. Results: In this review, we first give an overview of the principle of ToF-SIMS and follow with recent ToF-SIMS applications in exemplary environmental study cases, including atmospheric aerosol, soil, water, plant, and organic solvent analysis. Moreover, sample preparation techniques are summarized in relation to corresponding environmental applications. Specifically, we call attention to ToF-SIMS investigations showcasing studies in surface chemical compositions, images, and depth profile analysis. These findings emphasize the important role of interfacial chemistry in environmental processes and provide valuable insights into dynamic processes, such as chemical transformation, particle formation, plant biology, and microbial inspired biotechnology development. The mass spectral imaging results acquired by ToF-SIMS offer a deeper understanding of intermediate stages and transient phases for environmental specimens. Significance: In situ and operando imaging offer new possibilities in studying phenomena in real time with high spatial resolution. Furthermore, it is anticipated that more research groups will use ToF-SIMS in environmental research given recent advances in measurement capabilities and surging needs in chemical mapping of complex analytes and systems.

Aerosol↗

Predictive design of novel nickel-based superalloys beyond Haynes 282

Nickel-based superalloys are in great demand for harsh-service conditions involving high temperatures and oxidative environments. Haynes 282 stands out due to its excellent high-temperature properties and easy fabricability. However, the upper operation temperature of Haynes 282 is limited due to its relatively low liquidus temperature. Equipped with high-fidelity density-functional theory calculations and high-throughput experimentation methodology, we explored new compositional spaces that exhibit higher liquidus temperature and higher strength. While maintaining the manufacturability, the newly designed alloy shows improved strength and ductility at room temperature and better oxidation resistance up to 800°C. Here, the new compositions showcase a minor change in the refractory and metalloid content can significantly impact the mechanical and oxidation performance of superalloys.

36 MATERIALS SCIENCE↗

Future foundries: A convergent manufacturing platform

This article introduces the Future Foundries platform developed at Oak Ridge National Laboratory, a first-generation research system designed to demonstrate convergent manufacturing. Convergent manufacturing brings together additive, subtractive, and transformative processes in a digitally interconnected environment to enable end-to-end production workflows. By linking traditionally discrete steps, convergent platforms accelerate production, improve repeatability, and support high-mix, low-volume manufacturing. The Future Foundries platform exemplifies this vision in practice by combining four modular, vendor-agnostic process cells that include robotic WAAM, induction heating, optical metrology, and machining, coordinated through an automated pallet handler and a ROS 2-based digital thread. This architecture provides the flexibility and scalability needed for agile production in small and medium-sized manufacturing enterprises and for field deployable manufacturing. Two case studies illustrate the platform’s capabilities. The first presents an integrated workflow for fabricating, transforming, and repairing critical replacement components, showing how consolidated thermal, additive, inspection, and machining operations reduce manual part handling and streamline process flow. The second case study highlights coordinated multi-part production enabled by automated pallet logistics and multi-cell scheduling. Together, these examples showcase convergent manufacturing as a practical and scalable strategy for strengthening domestic casting and forging capacity, improving supply-chain resilience, and enabling rapid, adaptable production of mission-critical components.

Convergent manufacturing↗

Description of a novel extremophile green algae, Chlamydomonas pacifica , and its potential as a biotechnology host

We present the comprehensive characterization of a newly identified microalga, Chlamydomonas pacifica , originally isolated from a soil sample in San Diego, CA, USA. This species showcases remarkable biological versatility, including a broad pH range tolerance (6–11.5), high thermal tolerance (up to 42 °C), and salinity resilience (up to 2 % NaCl). Its amenability to genetic manipulation and sexual reproduction via mating, particularly between the two opposing strains CC-5697 & CC-5699, now publicly available through the Chlamydomonas Resource Center, underscores its potential as a biotechnological chassis. The biological assessment of C. pacifica revealed versatile metabolic capabilities, including diverse nitrogen assimilation capability, motility and phototaxis. Genomic and transcriptomic analyses identified 17,829 genes within a 121 Mb genome, featuring a GC content of 61 %. The codon usage of C. pacifica closely mirrors that of C. reinhardtii , indicating a conserved genetic architecture that supports a trend in codon preference with minor variations. Phylogenetic analyses position C. pacifica within the core-Reinhardtinia clade yet distinct from known Volvocales species. The lipidomic data revealed an abundance of triacylglycerols (TAGs), promising for biofuel applications and lipids for health-related benefits. Our investigation lays the groundwork for exploiting C. pacifica in biotechnological applications, from biofuel generation to synthesizing biodegradable plastics, positioning it as a versatile host for future bioengineering endeavors.

Alkali tolerant↗

Semi-automatic image annotation using 3D LiDAR projections and depth camera data

Efficient image annotation is necessary to utilize deep learning object recognition neural networks in nuclear safeguards, such as for the detection and localization of target objects like nuclear material containers (NMCs). This capability can help automate the inventory accounting of different types of NMCs within nuclear storage facilities. The conventional manual annotation process is labor-intensive and time-consuming, hindering the rapid deployment of deep learning models for NMC identifications. This paper introduces a novel semi-automatic method for annotating 2D images of nuclear material containers (NMCs) by combining 3D light detection and ranging (LiDAR) data with color and depth camera images collected from a handheld scan system. The annotation pipeline involves an operator manually marking new target objects on a LiDAR-generated map, and projecting these 3D locations to images, thereby automatically creating annotations from the projections. The semi-automatic approach significantly reduces manual efforts and the expertise in image annotation that is required to perform the task, allowing deep learning models to be trained on-site within a few hours. The paper compares the performance of models trained on datasets annotated through various methods, including semi-automatic, manual, and commercial annotation services. The evaluation demonstrates that the semi-automatic annotation method achieves comparable or superior results, with a mean average precision (mAP) above 0.9, showcasing its efficiency in training object recognition models. Additionally, the paper explores the application of the proposed method to instance segmentation, achieving promising results in detecting multiple types of NMCs in various formations.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Validating automated resonance evaluation with synthetic data

The integrity and precision of nuclear data are crucial for a broad spectrum of applications, from national security and nuclear reactor design to medical diagnostics, where the associated uncertainties can significantly impact outcomes. A substantial portion of uncertainty in nuclear data originates from the subjective biases in the evaluation process, a crucial phase in the nuclear data production pipeline. Recent advancements indicate that automation of certain routines can mitigate these biases, thereby standardizing the evaluation process and enhancing reproducibility. This research aims to provide a methodology, framework, and metrics for the validation of automated nuclear data evaluation software leveraging high-quality synthetic data that closely mimic real experimental observables. An introduced error metric provides a scale and intuitive measure of the evaluation quality by quantifying the estimate’s accuracy and performance across the specified energy range. Synthetic data provides access to experimental observables and underlying resonance parameters, enabling comparison of different evaluations. The methodology is demonstrated using Ta-181 isotope data in the resolved resonance region. The Automated Resonance Identification Subroutine (ARIS), which operates without prior resonance information, was used to test and showcase the framework’s capabilities utilizing the proposed error metrics. The results demonstrate the effectiveness of the proposed approach and framework for optimizing software parameters and testing hypotheses through “what-if” controlled experiments, such as modifying assumptions about experimental conditions or average resonance parameters.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High-burnup boiling water reactor steady-state operating conditions and fuel performance analysis

The primary operational costs for existing nuclear reactors are plant operation costs, maintenance costs, and fuel costs, all of which are influenced by the materials used and the design of the reactor core. Optimizing core design parameters—including burnup limits and enrichment levels—can lengthen cycles, reduce outages, reduce reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. Furthermore, developing higher-fidelity tools to simulate these parameters enables better identification of the available margin, improves overall plant safety, and improves the understanding a given plant’s responses to accident scenarios. Here, in the US, much of the research and development focus has traditionally been on pressurized water reactors (PWRs), but boiling water reactors (BWRs) comprise approximately one-third of the US reactor fleet. Modeling and simulation advances for BWRs and PWRs—particularly those achieved through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program—are crucial to the long-term viability of the light–water reactor industry. A key research area of the high burnup and increased enriched fuel initiative is focused on addressing issues related to postulated loss-of-coolant accident (LOCA) scenarios. NEAMS has dedicated significant effort to enhancing tools to better support BWRs. A current focus is showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity steady-state analysis is a first step toward demonstrating a best-estimate, pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior for a representative BWR. The objective of this effort is to provide a modeling capability that will help elucidate and provide a best-estimate evaluation for cladding rupture susceptibility in BWRs. This modeling capability could then be used to prevent and/or mitigate cladding ruptures in postulated accident scenarios without penalizing operational parameters. Additionally, the results of this work will help identify strategies for finding additional margins or potentially limiting cladding ruptures through core design optimizations to enable more efficient core designs.

Capps, Nathan [Oak Ridge National Laboratory (ORNL↗

Transient Multiphysics Simulations with Pin Power Reconstruction in the Griffin Reactor Physics Code

This work introduces the pin power reconstruction capability available in the Griffin reactor physics code. This capability is implemented in an unstructured mesh framework, and the methods introduced are applied to the 2D SIMBA reactor core, which has assemblies and pins arranged in a hexagonal lattice. Since this reactor has a non-Cartesian geometry and also operates in the thermal spectrum, a general approach to pin power reconstruction is adopted, where SPH-based equivalence is leveraged to preserve assembly-wise reaction rates, while computing full-core form functions to preserve pin-wise fission production rates within the fuel pins of the reactor core. In a 2D microreactor benchmark problem, this pin power reconstruction approach was shown to reproduce pin powers compared to the Serpent2 Monte Carlo code for fixed temperature conditions and control drum rotation angles, yielding a core-wide RMS error level of 0.6\% and a maximum absolute pin error of 2.3\%. In addition, a tabulated library of multigroup cross sections, SPH factors, and form functions was generated to demonstrate the applicability of pin power reconstruction to a thermal feedback problem. Finally, a control drum transient was successfully simulated, showcasing the application of pin power reconstruction in a transient multiphysics feedback problem.

97 - MATHEMATICS AND COMPUTING↗

In-situ monitoring of atomically dispersed Pt sites supported on OMS-2 during CO 2 activation

Atomically dispersed catalysts have drawn great interest lately, as they showcase a high density of active sites, selectivity, and high turnover frequencies in oxidation chemistry due to labile oxygen activation. In contrast, the applications of these catalysts have lagged in reduction reactions due to the ambiguity caused by the sintering and restructuring of active sites. To bridge this gap, the evolution of Pt 4+ isomorphically substituted into an octahedral molecular sieve structure (OMS-2) under reductive conditions was correlatively characterized using multiple in-situ analytical techniques such as ambient pressure X-ray photoelectron spectroscopy, environmental transmission electron microscopy, and solid-state nuclear magnetic resonance. The surface dynamics of the Pt single atoms were revealed during the Reverse Water Gas Shift (RWGS) reaction, where the active sites were identified as two-coordinated platinum single atoms. Under reaction, we show nonbinding atoms adjacent to the single atoms restructured the motif of the single atoms to Pt 2+ via ion mobility of potassium, increasing the activation energy by 25.6 kJ/mol. Here, this work also highlights the potential for increased stability of the single atom sites via isomorphic substitution of the metal oxide support, since the Pt-OMS-2 catalyst retained activity for about 33 h before deactivation, after which nanoparticles were observed in TEM images. This work offers a new perspective in single atom synthesis using the metal oxide as the host for the single atom site, instead of adatoms on the surface

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

OR-AGENT framework – Architecting electrified heavy-duty drayage applications

The widespread adoption of zero-emission vehicles in heavy-duty (HD) commercial freight transportation faces considerable technoeconomic challenges. For heavy-duty trucks, ensuring high uptime, cost parity with diesel, and safety standards is especially critical as these vehicles operate over long distances with heavy loads, where any downtime or off-nominal behaviors significantly impacts logistics, productivity, and the total cost of ownership. Unlike traditional diesel refueling, BEV charging infrastructure must be co-optimized with vehicle deployment, operational demands, and grid capacity to ensure cost-effective and reliable freight operations. However, the lack of a standardized ownership and service model has led to a fragmented approach—where commercial vehicle operators may invest in, own, and maintain both vehicle/batteries and charging/energy infrastructure. This disconnect may exclude energy service providers from the equation, forcing fleet operators to explore ‘behind-the-fence’ energy solutions that increase capital investment, operational downtime, overhead costs, and, in some cases, net carbon emissions. To address these issues, this study introduces OR-AGENT (Optimal Regional Architecture Generation for Efficient National Transport), a comprehensive modeling framework that integrates powertrain architectures, charging infrastructures, and energy backbone systems into a cohesive strategy. In this paper, OR-AGENT is applied to develop an interconnected systems architecture for energy efficiency and resiliency enhancement of heavy-duty drayage vehicles at the Port of Savannah, GA. This framework showcases an interconnected systems approach to electrifying heavy-duty drayage vehicles at the Port of Savannah, GA. The study assessed BEVs with 400–1200 kWh battery capacities, accounting for seasonal variations in weather and freight routing. A diverse charging mix (150 kW–1250 kW) was evaluated alongside grid capacity constraints, cost, and carbon intensity analysis, leading to the development of a strategic microgrid/Distributed Energy Resources (DER) deployment architecture to ensure a reliable and sustainable transition. However, the findings also highlight the need for alternative zero-emission solutions for remaining trips, such as larger batteries, electrified roadways, hydrogen powertrains, or net-zero emission fuels. In conclusion, the findings are incorporated into a Total Cost of Ownership (TCO) model to identify optimal architectures for an interconnected electrified ecosystem.

Commercial vehicles↗