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DOE OSTI2026

Anomalous Spin‐Optical Helical Effect in Ti‐Based Kagome Metal

The kagome lattice stands as a rich platform for hosting a wide array of correlated quantum phenomena, ranging from charge density waves and superconductivity to electron nematicity and loop current states. Direct detection of loop currents in kagome systems has remained a formidable challenge due to their intricate spatial arrangements and the weak magnetic field signatures they produce, and this has made their identification experimentally subtle. This has left their existence and underlying mechanisms a topic of intense debate. In this work, we uncover signatures compatible with loop currents: spin handedness-selective signals that surpass conventional dichroic, spin, and spin-dichroic responses. We observe this phenomenon in the kagome metal CsTi 3 ⁢Bi 5 and we call it the anomalous spin-optical helical effect. This effect arises from the coupling of light's helicity with spin-orbital electron correlations, thereby providing an indirect yet sensitive approach to probe loop-current–related electronic correlations in quantum materials. Our discovery not only enriches the debate surrounding loop currents but also offers new experimental strategies to exploit the electronic phases of quantum materials via light–matter interaction.

anomalous spin-optical helical effect↗

DOE OSTI2025

Micro-segregation phenomena and related spectroscopic signals in melt-grown β-Ga2O3 single crystals

One of the primary advantages of β-Ga2O3 over incumbent wide bandgap semiconductors is the ability to grow directly from the melt. Melt growth, using Czochralski or similar methods, results in impurities in the crystal which originate from the crucible, such as iridium and other transition metals like chromium. These impurities exhibit optoelectronic signatures useful for their identification and sensitive to the Fermi energy of a given crystal (i.e., signatures vary with the electrical conductivity of the matrix). In this work, we describe how laser Raman systems can be used to map and spatially correlate Cr3+ photoluminescence, electronic-coupled Raman scattering from Ir4+d–d internal transitions, and the Raman line attributed to hydrogenic shallow donors. Laser ablation inductively coupled plasma mass spectrometry directly measured spatially dependent relative metal concentrations and confirmed spectroscopic signals resulting from heterogeneities in impurity concentrations in β-Ga2O3 boules. Mapping of photoluminescence and Raman-related signatures is, thus, demonstrated as an effective and facile method for spatial measurement of chemical heterogeneities in both insulating and conductive melt-grown β-Ga2O3 crystals.

Dutton, Benjamin L. (ORCID:000000031272130X)↗

DOE OSTI2026

A search for microscopic black holes, string balls, and sphalerons in proton-proton collisions at $\sqrt{s}=13$ TeV

A search for microscopic black holes, string balls, and electroweak sphalerons using proton-proton collisions at $\sqrt{s}=13$ TeV recorded with the CMS detector at the CERN LHC during the 2016–2018 data taking, and corresponding to an integrated luminosity of 138 fb −1 , is presented. Two search strategies based on control samples in data are used. Model-independent limits on the cross section of physics phenomena with multiple energetic jets, leptons, and photons are set using a method that relies on the shape invariance of the scalar sum of the transverse momenta of all objects in the event. Model-dependent limits on black hole and sphaleron production are set using a newly introduced method that has been developed for the identification of collider events with distinct kinematic features by separating them into classes based on phase space proximity. In the context of models with large extra dimensions, semiclassical black holes and string balls with masses below 8.4–11.4 TeV and 9.0–10.7 TeV, respectively, are excluded at 95% confidence level, significantly extending the reach beyond previous searches. Results of a dedicated search for electroweak sphalerons are used to derive an upper limit of 0.0034 at 95% confidence level on the fraction of quark-quark interactions, with a center-of-mass energy above the nominal sphaleron transition energy threshold of 9 TeV, that result in a sphaleron transition.

Beyond Standard Model↗

DOE OSTI2024

Rapid Predictions of Part Lifetimes in Corrosive Environments, Corrosion

Corrosion challenges persist throughout SNL’s mission areas. The primary difficulty lies in the fact that corrosion typically manifests as isolated, rare events, making preemptive identification exceedingly difficult. Our current strategy for addressing corrosion issues, such as anomalies and SFIs, is similarly isolated and reactive. This method is costly, time-consuming, heavily dependent on a limited number of experts, and offers minimal understanding of the overall damage distribution within the stockpile. This technical challenge is not unique to corrosion but is also prevalent in other material aging phenomena, such as tin-whisker growth in lead-free solder and fatigue failure of springs.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Probing Surface/Bulk Structural Chemistry of Key Components of Solid Oxide Electrochemical Cells with In Situ / Operando Raman Spectroscopy

The remarkable attributes of solid oxide electrochemical cell technology (e.g., energy efficiency, low cost, scalability, low emissions, and operational flexibility, etc.) drive the wider adoption of electrochemical conversion routes for sustainability. It is critical for the codevelopment of solid oxide cell materials and processes to establish the mechanistic understanding of the underlying chemical phenomena at the molecular level. Herein, we summarize the advancements in Raman spectroscopy that provide structural/molecular information on electrode/electrolyte materials typically used in solid oxide cells for energy conversion. In particular, we discuss the multifactorial environment induced chemical processes that govern the performance and longevity of solid oxide electrochemical devices. The in situ/operando Raman spectroscopic investigations on the electrode/electrolyte materials reported in the literature are summarized with the emphasis on identification of key material properties that control the functional aspects of the solid oxide cells. The molecular level understanding of the electrochemical processes will allow advancement of the rational design of electrochemical materials for process level deployment of solid oxide cell technology.

Electrodes↗

DOE OSTI2024

Workflow for Developing and Operating Subsurface Hydrogen Storage Facilities in Porous Reservoirs

Long-duration (seasonal) storage of natural gas (NG), which primarily consists of methane (CH 4 ), has been practiced for more than a hundred years at underground gas storage (UGS) facilities that use depleted hydrocarbon reservoirs, saline aquifers, and salt caverns. To enable hydrogen (H 2 ) to be used as a long-duration, energy-storage medium, similar facilities are envisioned for underground H 2 storage (UHS) of either H 2 or H 2 /NG mixtures. Experience with UGS can be used to guide recommended practices for developing and operating UHS facilities in porous reservoirs. The most important factors (formation/fluid properties and engineering choices) that influence the performance of UHS reservoirs have been identified and quantified in previous studies. These factors and choices influence phenomena that determine the sweep efficiency of the stored working gas. These phenomena include viscous fingering, hysteretic capillary trapping, and gravity override of the working gas, as well as the upconing of nonproductive fluid that determine the sweep efficiency of the stored working gas. This report describes initial recommended-practices and a project-development workflow for UHS facilities that utilize porous reservoirs, based on the current state-of-knowledge about H 2 behavior in the subsurface. The workflow sequentially addresses all aspects of UHS project development, including the identification of H 2 sources and users, site ranking and down-selection, geologic and reservoir-engineering characterization, reservoir design, testing, risk management, commissioning, operations, and monitoring for a UHS facility. The goal is to enable UHS facilities to be developed in an efficient and timely manner, while carefully managing project risks. This workflow is similar to that which has been developed for UGS facilities (see Figure 1 of API, 2022), with the addition of tasks and subtasks specific to H 2 and UHS. The project-development workflow is broken down into three major stages: (1) define the H 2 use case; (2) rank, down-select, and characterize potential, candidate UHS sites; and (3) reservoir design, integrity testing, risk assessment, commissioning, operations, and monitoring for selected UHS sites. Each major stage is further broken down into tasks and subtasks, which are described at a high level. This report also provides more detailed descriptions of all tasks and subtasks that involve reservoir analysis and testing.

08 HYDROGEN↗

DOE OSTI2024

The SRG/eROSITA All-Sky Survey: Exploring halo assembly bias with X-ray-selected superclusters

Numerical simulations indicate that the clustering of dark matter halos is not only dependent on the halo masses but has a secondary dependence on other properties, such as the assembly history of the halo. This phenomenon, known as the halo assembly bias (HAB), has been found mostly on galaxy scales; observational evidence on larger scales is scarce. In this work, we propose a novel method for exploring HAB on cluster scales using large samples of superclusters. Leveraging the largest-ever X-ray galaxy cluster and supercluster samples obtained from the first SRG/eROSITA all-sky survey, we constructed two subsamples of galaxy clusters that consist of supercluster members and isolated clusters, respectively. After correcting for the selection effects on redshift, mass, and survey depth, we computed the excess in the concentration of the intracluster gas of isolated clusters with respect to supercluster members, defined as δc gas ≡ c gas , ISO /c gas , SC –1 , to investigate the environmental effect on the concentration of clusters, a sign of HAB on cluster scales. We find that the average gas mass concentration of isolated clusters is a few percent higher than that of supercluster members, with a maximum significance of 2.8σ. The result for δc gas varies with the overdensity ratio, f, in supercluster identification, cluster mass proxies, and mass and redshift ranges but remains positive in almost all the measurements. We measure slightly larger δc gas when adopting a higher f for supercluster identification. The δc gas is also higher for low-mass and low-redshift clusters. We performed weak lensing analyses to compare the total mass concentration of the two classes and find a similar trend in total mass concentration as obtained from the gas mass concentration. Our results are consistent with the prediction of HAB on cluster scales, where halos located in denser environments are less concentrated; this trend is stronger for halos with lower masses and at lower redshifts. These phenomena can be explained by the fact that clusters in denser environments, such as superclusters, have experienced more mergers than isolated clusters in their assembling history. This work paves the way to explore HAB with X-ray superclusters and demonstrates that large samples of superclusters with X-ray and weak-lensing data can advance our understanding of the evolution of the large-scale structure.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A comparison of smartphone and infrasound microphone data from a fuel air explosive and a high explosive

For prompt detection of large (>1 kt) above-ground explosions, infrasound microphone networks and arrays are deployed at surveyed locations across the world. Denser regional and local networks are deployed for smaller explosions, however, they are limited in number and are often deployed temporarily for experiments. With the expanded interest in smaller yield explosions targeted at vulnerable areas such as population centers and key infrastructures, the need for more dense microphone networks has increased. An “attritable” (affordable, reusable, and replaceable) and flexible alternative can be provided by smartphone networks. Explosion signals from a fuel air explosive (thermobaric bomb) and a high explosive with trinitrotoluene equivalent yields of 6.35 and 3.63 kg, respectively, were captured on both an infrasound microphone and a network of smartphones. The resulting waveforms were compared in time, frequency, and time-frequency domains. The acoustic waveforms collected on smartphones produced a filtered explosion pulse due to the smartphone's diminishing frequency response at infrasound frequencies (<20 Hz) and was found difficult to be used with explosion characterization methods utilizing waveform features (peak overpressure, impulse, etc.). However, the similarities in time frequency representations and additional sensor inputs are promising for other explosion signal identification and analysis. As an example, a method utilizing the relative acoustic amplitudes for source localization using the smartphone sensor network is presented.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Anomaly Detection and Approximate Similarity Searches of Transients in Real-time Data Streams

Abstract We present Lightcurve Anomaly Identification and Similarity Search ( LAISS ), an automated pipeline to detect anomalous astrophysical transients in real-time data streams. We deploy our anomaly detection model on the nightly Zwicky Transient Facility (ZTF) Alert Stream via the ANTARES broker, identifying a manageable ∼1–5 candidates per night for expert vetting and coordinating follow-up observations. Our method leverages statistical light-curve and contextual host galaxy features within a random forest classifier, tagging transients of rare classes ( spectroscopic anomalies), of uncommon host galaxy environments ( contextual anomalies), and of peculiar or interaction-powered phenomena ( behavioral anomalies). Moreover, we demonstrate the power of a low-latency (∼ms) approximate similarity search method to find transient analogs with similar light-curve evolution and host galaxy environments. We use analogs for data-driven discovery, characterization, (re)classification, and imputation in retrospective and real-time searches. To date, we have identified ∼50 previously known and previously missed rare transients from real-time and retrospective searches, including but not limited to superluminous supernovae (SLSNe), tidal disruption events, SNe IIn, SNe IIb, SNe I-CSM, SNe Ia-91bg-like, SNe Ib, SNe Ic, SNe Ic-BL, and M31 novae. Lastly, we report the discovery of 325 total transients, all observed between 2018 and 2021 and absent from public catalogs (∼1% of all ZTF Astronomical Transient reports to the Transient Name Server through 2021). These methods enable a systematic approach to finding the “needle in the haystack” in large-volume data streams. Because of its integration with the ANTARES broker, LAISS is built to detect exciting transients in Rubin data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Time-resolved atomic-resolution Brownian tomography of single nanocrystals reveals size-dependent dynamics

Atomic-resolution structure identification of nanocrystals by graphene liquid cell electron microscopy (GLC-EM) has revealed that small, solubilized platinum nanocrystals consist of an ordered crystalline core surrounded by mobile surface atoms, which dissociate during oxidative etching, resulting in distinct temporal structural states. Requirements imposed by the 3D reconstruction algorithm limit the number of structural states that can be resolved. We introduce a regularized 3D reconstruction algorithm that exploits the redundancy inherent in the experimental data, allowing us to improve the time resolution. Our developments provide a comprehensive molecular picture at unprecedented spatial and temporal resolution of the nonlinear, linear, and fluctuating dynamic phenomena that single nanocrystals undergo during the GLC-EM experiment. We determined atomic structures of 66 temporal structural states, extracted from 15 time trajectories of individual nanocrystals. Large (478 to 698 atoms) and small (<300 atoms) nanocrystals show etching that preserves a stable core, whereas mid-sized (351 to 571 atoms) nanocrystals present dynamics that change the coordination of the core.

Meana-Pañeda, Rubén↗

DOE OSTI2026

Deep generative learning of magnetic frustration in artificial spin ice from magnetic force microscopy images

Increasingly large datasets of microscopic images with nanoscale resolution facilitate the development of machine learning methods to identify and analyze subtle physical phenomena embedded within the images. In this work, microscopic images of honeycomb lattice spin-ice samples serve as datasets from which we automate the calculation of net magnetic moments and directional orientations of spin-ice configurations. In the first stage of our workflow, machine learning models are trained to accurately predict magnetic moments and directions within spin-ice structures. Variational Autoencoders (VAEs), an emergent unsupervised deep learning technique, are employed to generate high-quality synthetic magnetic force microscopy (MFM) images and extract latent feature representations, thereby reducing experimental and segmentation errors. The second stage of proposed methodology enables precise identification and prediction of frustrated vertices and nanomagnetic segments, effectively correlating structural and functional aspects of microscopic images. This facilitates the design of optimized spin-ice configurations with controlled frustration patterns, enabling potential on-demand synthesis.

36 MATERIALS SCIENCE↗

DOE OSTI2024

3D-Reconstruction of Tau Neutrinos in LArTPC Detectors

The Deep Underground Neutrino Experiment (DUNE) is a next-generation neutrino experiment currently under construction. DUNE will consist of two high-resolution neutrino interaction imaging detectors exposed to the world’s most intense neutrino beam, with the Near Detector at Fermilab and the Far Detector 1,300 km away in the Sanford Underground Research Facility in South Dakota, US. The high statistics and excellent resolution capabilities of DUNE's $^{40}$Ar detector will allow us to make precision studies of oscillation parameters capable of searching for CP violation in the lepton sector, testing interaction models, and studying phenomena that have until now, seemed too complex to measure, like $\nu_\tau$ detection and therefore, providing the completion of the 3-flavor neutrino paradigm. Knowledge of the $\nu_\tau$ detection can impact a broad spectrum of open questions. These include searching for non-standard neutrino interactions, constraining the unitarity of the PMNS matrix, searching for sterile neutrinos, and studying neutrino interactions. In the case of LArTPC data, the detector hits can be considered nodes in a graph, and the edges represent the spatial and temporal relationships between them. By using graph neural networks, it is possible to exploit these relationships and improve the accuracy of particle identification and reconstruction. During my presentation and specifically for tau neutrino reconstruction, I will show the effectiveness and reliability of our in-house developed graph neural network (GNN), NuGraph. This GNN classifies detector hits based on the particle type responsible for their production, assuring that the system accurately identifies and categorizes information based on its unique characteristics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Evolution and Degradation Patterns of Electrochemical Cells Based on the Analysis of Interfacial Phenomena at Li Metal Anode/Electrolyte Interfaces

In this work, we report the results of a theoretical–computational analysis of the solid electrolyte interphase (SEI) growth and degradation dynamics occurring in lithium metal batteries during cycling. We use ab initio-kinetic Monte Carlo simulations to generate a synthetic data set, which is analyzed by machine learning methods. We aim to determine: (i) how modifications in interfacial interaction energies between solid electrolyte interphase (SEI) blocks and between Li ions and SEI facets impact the Coulombic efficiency (CE) of the battery and (ii) what factors, including reactions, microscopic transport, and other interfacial events, may lead to cell performance “failure” during prolonged charge and discharge cycles, signaled as a sharp decay in the CE over cycling. The demonstration of our approach is done on a cell including a Li metal surface interfacing with a previously introduced state-of-the-art electrolyte, and the idea can be applied to any electrochemical system. Outcomes include the identification of the leading chemical, physical, and structural variables causing cell failure and relating them to the electrolyte formulation, thus paving the way to future more refined analysis and electrolyte design.

batteries↗

DOE OSTI2024

tobac v1.5: introducing fast 3D tracking, splits and mergers, and other enhancements for identifying and analysing meteorological phenomena

There is a continuously increasing need for reliable feature detection and tracking tools based on objective analysis principles for use with meteorological data. Many tools have been developed over the previous 2 decades that attempt to address this need but most have limitations on the type of data they can be used with, feature computational and/or memory expenses that make them unwieldy with larger datasets, or require some form of data reduction prior to use that limits the tool's utility. The Tracking and Object-Based Analysis of Clouds (tobac) Python package is a modular, open-source tool that improves on the overall generality and utility of past tools. A number of scientific improvements (three spatial dimensions, splits and mergers of features, an internal spectral filtering tool) and procedural enhancements (increased computational efficiency, internal regridding of data, and treatments for periodic boundary conditions) have been included in tobac as a part of the tobac v1.5 update. These improvements have made tobac one of the most robust, powerful, and flexible identification and tracking tools in our field to date and expand its potential use in other fields. Future plans for tobac v2 are also discussed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Direct reactions with the AT-TPC

Direct reactions are crucial tools for accessing properties of the atomic nucleus. Fundamental and exotic phenomena such as collective modes, pairing, weakbinding effects and evolution of single-particles energies can be investigated in peripheral collisions between a heavy nucleus and a light target. The necessity of using inverse kinematics to reveal how these structural properties change with isospin imbalance renders direct reactions a challenging technique when using the missing mass method. In this scenario, Active Target Time Projection Chambers (AT-TPC) have demonstrated an outstanding performance in enabling these types of reactions even under conditions of very low beam intensities. The AT-TPC of the Facility for Rare Isotope Beams (FRIB) is a next generation multipurpose Active Target. When operated inside a solenoidal magnet, direct reactions benefit from the measurement of the magnetic rigidity that enables particle identification and the determination of the excitation energy with high resolution without the need of auxiliary detectors. Additionally, the AT-TPC can be coupled to a magnetic spectrometer improving even further its spectroscopic investigation capability. In this contribution, we discuss inelastic scattering and transfer reaction data obtained via the AT-TPC and compare them to theory. In particular, we present the results for the 14 C(p,p′) and 12 Be (p,d) 11 Be reactions. For 14 C, we compare the experimental excitation energy of the first 1 – excited state with coupled-cluster calculationsbased on nuclear interactions from chiral effective field theory and with available shell-model predictions. For 12 Be, we determine the theoretical spectroscopic factors of the 12 Be (p,d) 11 Be transfer reaction in the shell modeland compare them to the experimental excitation spectrum from a qualitative standpoint.

active target↗

DOE OSTI2024

Probing Naturalness with Searches for Supersymmetric Higgs Partners at the Large Hadron Collider

The discovery of the Higgs boson at the Large Hadron Collider completed the standard model of particle physics and led to the 2013 Nobel Prize. While it has been extremely successful in describing a wide variety of phenomena, the standard model cannot be the final theory of nature because it is unable to explain why the Higgs boson mass lies at the electroweak scale rather than 16 orders of magnitude larger at the Planck scale, a theoretical flaw known as the ``hierarchy problem.'' Supersymmetry is a standard model extension that could provide a natural solution to the hierarchy problem by introducing light supersymmetric Higgs partners. This proposal focused on searches that are sensitive to supersymmetric Higgs partners in data collected by the ATLAS experiment, which were carried out by the University of Illinois high-energy physics group led by PI Ben Hooberman as part of his Department of Energy Early Career Research Program award from 2017-2023. The searches were complemented by improvements to particle identification algorithms and the ATLAS trigger system that extend the sensitivity of future supersymmetry searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Stability optimization of energetic particle driven modes in nuclear fusion devices: the FAR3d gyro-fluid code

The development of reduced models provide efficient methods that can be used to perform short term experimental data analysis or narrow down the parametric range of more sophisticated numerical approaches. Reduced models are derived by simplifying the physics description with the goal of retaining only the essential ingredients required to reproduce the phenomena under study. This is the role of the gyro-fluid code FAR3d, dedicated to analyze the linear and nonlinear stability of Alfvén Eigenmodes (AE), Energetic Particle Modes (EPM) and magnetic-hydrodynamic modes as pressure gradient driven mode (PGDM) and current driven modes (CDM) in nuclear fusion devices. Such analysis is valuable for improving the plasma heating efficiency and confinement; this can enhance the overall device performance. The present review is dedicated to a description of the most important contributions of the FAR3d code in the field of energetic particles (EP) and AE/EPM stability. FAR3d is used to model and characterize the AE/EPM activity measured in fusion devices as LHD, JET, DIII-D, EAST, TJ-II and Heliotron J. In addition, the computational efficiency of FAR3d facilitates performing massive parametric studies leading to the identification of optimization trends with respect to the AE/EPM stability. This can aid in identifying operational regimes where AE/EPM activity is avoided or minimized. This technique is applied to the analysis of optimized configurations with respect to the thermal plasma parameters, magnetic field configuration, external actuators and the effect of multiple EP populations. In addition, the AE/EPM saturation phase is analyzed, taking into account both steady-state phases and bursting activity observed in LHD and DIII-D devices. The nonlinear calculations provide: the induced EP transport, the generation of zonal structures as well as the energy transfer towards the thermal plasma and between different toroidal/helical families. Finally, FAR3d is used to forecast the AE/EPM stability in operational scenarios of future devices as ITER, CFETR, JT60SA and CFQS as well as possible approaches to optimization with respect to variations in the most important plasma parameters.

Alfv én Eigenmodes↗

DOE OSTI2025

Expanding the physics reach of DUNE in the near and far detectors

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino oscillation experiment. Its primary goal is the determination of the neutrino mass hierarchy and the CP-violating phase. The DUNE physics programme also includes the detection of astrophysical neutrinos and the search for beyond the Standard Model (BSM) phenomena. DUNE will consist of a near detector (ND) complex placed at Fermilab, and a modular Liquid Argon Time Projection Chamber (LArTPC) far detector (FD) to be built in the Sanford Underground Research Facility (SURF), approximately 1300 km away from the neutrino production point. This thesis describes three different projects within DUNE. First, a novel strategy to improve the triggering capabilities of the DUNE FD is proposed. It uses matched filters to enhance the production of online hits across all charge collection planes. Next, the possibility of detecting neutrinos coming from dark matter (DM) annihilations in the Sun with the FD is explored. The complementarity of DUNE to this kind of DM searches is shown. Finally, the simulation and reconstruction framework of ND-GAr, the gas argon ND proposed for Phase II of DUNE, is presented. A number of additions to this are described, particularly focused on the development of the particle identification (PID) capabilities of the detector. These are then used to perform the first event selection studies with an end-to-end simulation in ND-GAr, in particular the selection of pion exclusive samples in $\nu_{\mu}$ CC interactions. All three of these projects share the common goal of enhancing the physics programme of DUNE.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗