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DOE OSTI2025

The Kangaroo’s First Hop: The Early Fast Cooling Phase of EP250108a/SN 2025kg

Fast X-ray transients are a rare and poorly understood population of events. Previously difficult to detect in real time, the launch of the Einstein Probe with its Wide-field X-ray Telescope has led to a rapid expansionof the sample and allowed the exploration of these transients across the electromagnetic spectrum. EP250108a is a recently detected example linked to an optical counterpart, SN 2025kg, or “the kangaroo.” Together with a companion Letter we present our observing campaign and analysis of this event. In this letter, we focus on the early evolution of the optical counterpart over the first 6 days, including our measurement of the redshift of z = 0.17641. We compare to other supernovae and fast transients showing similar features, finding significant similarities with SN 2006aj and SN 2020bvc, and show that the source is well modelled by a rapidly expanding cooling blackbody. We show the observed X-ray and radio properties are consistent with a collapsar-powered jet that is low energy (≲10 51 erg) and/or fails to break out of the dense material surrounding it. While we examine the possibility that the optical emission emerges from the shock produced as the supernova ejecta expand into a dense shell of circumstellar material, due to our X-ray and radio inferences, we favour a model where it arises from a shocked cocoon resulting from a trapped jet. This makes SN 2025 one of the few examples of this currently observationally rare event.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Validation of the DESI DR2 Ly$\alpha$ BAO analysis using synthetic datasets

The second data release (DR2) of the Dark Energy Spectroscopic Instrument (DESI), containing data from the first three years of observations, doubles the number of Lyman-$\alpha$ (Ly$\alpha$) forest spectra in DR1 and it provides the largest dataset of its kind. To ensure a robust validation of the Baryonic Acoustic Oscillation (BAO) analysis using Ly$\alpha$ forests, we have made significant updates compared to DR1 to both the mocks and the analysis framework used in the validation. In particular, we present CoLoRe-QL, a new set of Ly$\alpha$ mocks that use a quasi-linear input power spectrum to incorporate the non-linear broadening of the BAO peak. We have also increased the number of realisations used in the validation to 400, compared to the 150 realisations used in DR1. Finally, we present a detailed study of the impact of quasar redshift errors on the BAO measurement, and we compare different strategies to mask Damped Lyman-$\alpha$ Absorbers (DLAs) in our spectra. The BAO measurement from the Ly$\alpha$ dataset of DESI DR2 is presented in a companion publication.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

A Novel Measurement of the Anomalous Muon Spin Precession Frequency in the Muon $g-2$ Experiment at Fermilab

The Muon $g-2$ Experiment operated at Fermi National Accelerator Laboratory (FNAL, or Fermilab) between 2018 and 2023 to produce the world's most precise measurement of the muon's \textit{anomalous magnetic moment}, $a_\mu = \frac{g_\mu - 2}{2}$, which expresses the relative deviation in the muon's $g$-factor from a baseline theoretical expectation that $g_\mu = 2$. In the Standard Model of particle physics, $g_\mu > 2$ and hence $a_\mu > 0$ by a calculable amount that depends on all possible interactions between the muon and all other fundamental particles, including any potentially undiscovered interactions beyond the Standard Model. For this reason, measurements of the electron anomaly $a_e$ and later the muon anomaly $a_\mu$ have helped guide the development of the Standard Model since the inception of quantum field theory, and the measured value of $a_\mu$ provides a valuable constraint for new hypotheses that extend the Standard Model. As of 2006, the leading measurement and Standard Model prediction for $a_\mu$ exhibited tension at the level of about three standard deviations, motivating an improved measurement at Fermilab that could test the tension more precisely. The experiment functions by storing a polarized beam of $\mu^+$ in a uniform magnetic field, which simultaneously induces circular motion and spin precession. As the stored muons undergo the Michel decay $\mu^+ \to e^+ + \nu_e + \bar{\nu}_\mu$, mediated by the parity-violating weak interaction, the rest-frame $e^+$ emission direction is correlated with the parent $\mu^+$ spin orientation. Boosting into the laboratory frame encodes this correlation in the decay $e^+$ energy, which is higher when the emission (i.e. $\mu^+$ spin direction) is aligned with the $\mu^+$ momentum, and lower when opposite. Detectors then count the rate of high-energy decay $e^+$, which modulates at the difference between the $\mu^+$ revolution and spin precession frequencies. This observed frequency, called the \textit{anomalous spin precession frequency} $\omega_a$, is directly proportional to $a_\mu$. The extraction of $\omega_a$ proceeds by fitting the time spectrum of detected $e^+$, which requires precise modeling of the $\omega_a$ oscillation as well as any perturbations from beam dynamics and detector acceptance. Using the $\omega_a$ analysis presented in this work, based on Runs 4 -- 6 of the Muon $g-2$ Experiment at Fermilab, we find that $a_\mu = 0.001\,165\,920\,738(162)$ with a relative uncertainty of 139 parts per billion.

Barrett, Tyler [Cornell U.]↗

DOE OSTI2026

SPT-3G D1: Compton-$y$ maps using data from the SPT-3G and Planck surveys

We present thermal Sunyaev-Zel'dovich (tSZ) Compton-$y$ parameter maps constructed from two years (2019-2020) of observations with the South Pole Telescope (SPT) third-generation camera, SPT-3G, combined with data from the Planck satellite. Using a linear combination (LC) pipeline, we obtain a suite of reconstructions that explore different trade-offs between statistical sensitivity and suppression of astrophysical contaminants, including minimum-variance, CMB-deprojected, and CIB-deprojected $y$-maps. We validate these maps through different statistical techniques such as auto- and cross-power spectra with large-scale structure tracers as well as stacking on cluster locations. These tests are used to understand the balance between noise and astrophysical foreground residuals (such as the CIB) in combination with the recovery of the tSZ signal for different maps. For example, results from stacking at the location of clusters confirm the robustness of the recovered tSZ signal over the $\sim 1500\: {\rm deg}^2$ SPT-3G survey field used in this analysis. The high-resolution and low-noise maps produced here provide an important cosmological tool for future studies, including measurements of the Compton-$y$ map power spectrum, cross-correlations with other tracers of the large-scale structure, detailed modeling of cluster pressure profiles, and study of the thermodynamic state of the baryons in the Universe.

Maniyar, A. S. [Harvard-Smithsonian Ctr. Astrophys↗

DOE OSTI2024

Utilizing Distributed Heterogeneous Computing with PanDA in ATLAS

In recent years, advanced and complex analysis workflows have gained increasing importance in the ATLAS experiment at CERN, one of the large scientific experiments at LHC. Support for such workflows has allowed users to exploit remote computing resources and service providers distributed worldwide, overcoming limitations on local resources and services. The spectrum of computing options keeps increasing across the Worldwide LHC Computing Grid (WLCG), volunteer computing, high-performance computing, commercial clouds, and emerging service levels like Platform-as-a-Service (PaaS), Container-as-a-Service (CaaS) and Function-as-a-Service (FaaS), each one providing new advantages and constraints. Users can significantly benefit from these providers, but at the same time, it is cumbersome to deal with multiple providers, even in a single analysis workflow with fine-grained requirements coming from their applications’ nature and characteristics. In this paper, we will first highlight issues in geographically-distributed heterogeneous computing, such as the insulation of users from the complexities of dealing with remote providers, smart workload routing, complex resource provisioning, seamless execution of advanced workflows, workflow description, pseudointeractive analysis, and integration of PaaS, CaaS, and FaaS providers. We will also outline solutions developed in ATLAS with the Production and Distributed Analysis (PanDA) system and future challenges for LHC Run4.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Quantum simulation of boson-related Hamiltonians: techniques, effective Hamiltonian construction, and error analysis

Elementary quantum mechanics proposes that a closed physical system consistently evolves in a reversible manner. However, control and readout necessitate the coupling of the quantum system to the external environment, subjecting it to relaxation and decoherence. Consequently, system-environment interactions are indispensable for simulating physically significant theories. A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic degrees of freedom, such as phonons, photons, and gluons, into optimized fermion algorithms for near-future quantum simulations. In particular, when a quantum system is surrounded by an external environment, its basic physics can usually be simplified to a spin or fermionic system interacting with bosonic modes. Nevertheless, troublesome factors such as the magnitude of the bosonic degrees of freedom typically complicate the direct quantum simulation of these interacting models, necessitating the consideration of a comprehensive plan. This strategy should specifically include a suitable fermion/boson-to-qubit mapping scheme to encode sufficiently large yet manageable bosonic modes, and a method for truncating and/or downfolding the Hamiltonian to the defined subspace for performing an approximate but highly accurate simulation, guided by rigorous error analysis. In this pedagogical tutorial review, we aim to provide such an exhaustive strategy, focusing on encoding and simulating certain bosonic-related model Hamiltonians, inclusive of their static properties and time evolutions. Specifically, we emphasize two aspects: (1) the discussion of recently developed quantum algorithms for these interacting models and the construction of effective Hamiltonians, and (2) a detailed analysis regarding a tightened error bound for truncating the bosonic modes for a class of fermion-boson interacting Hamiltonians.

bosonic Hamiltonian↗

DOE OSTI2025

Flash Communication: Boron K-edge XAS and TDDFT Studies of Covalent Metal–Ligand Bonding in Ni(C 2 B 9 H 11 ) 2

Ligand K-edge X-ray absorption spectroscopy (XAS), a technique that can measure variations in covalent metal–ligand bonding, has rarely been used to assess covalency in complexes containing metal–boron bonds. Here we describe ligand K-edge XAS and TDDFT studies of the Ni dicarbollide complex Ni(C 2 B 9 H 11 ) 2 (1) and the Ni-free salt (HNMe 3 )(C 2 B 9 H 12 ) (L1). The XAS spectrum for 1 reveals a pre-edge feature indicative of covalent Ni–B bonding, which is corroborated by time-dependent density functional theory (TDDFT) calculations and comparative analysis to L1 and inner-shell electron energy loss spectroscopy (ISEELS) collected on the same Ni complex.

Boron↗

DOE OSTI2024

Did we hear the sound of the Universe boiling? Analysis using the full fluid velocity profiles and NANOGrav 15-year data

Abstract In this paper, we analyse sound waves arising from a cosmic phase transition where the full velocity profile is taken into account as an explanation for the gravitational wave spectrum observed by multiple pulsar timing array groups. Unlike the broken power law used in the literature, in this scenario the power law after the peak depends on the macroscopic properties of the phase transition, allowing for a better fit with pulsar timing array (PTA) data. We compare the best fit with that obtained using the usual broken power law and, unsurprisingly, find a better fit with the gravitational wave (GW) spectrum that utilizes the full velocity profile. Even more importantly, the thermal parameters that produce the best fit are quite different. We then discuss models that can produce the best-fit point and complementary probes using CMB experiments and searches for light particles in DUNE, IceCUBE-Gen2, neutrinoless doubleβ-decay, and forward physics facilities (FPF) at the LHC like FASERν, etc.

Astronomy & Astrophysics↗

DOE OSTI2025

Interpreting scattered neutron spectra on omega cryogenic implosions with measured backgrounds and higher-order scattering

Measurements of the areal density (⁠ρR⁠) of inertially confined implosions are critical to evaluate their performance. On OMEGA, ρR is inferred from measurements of the scattered neutron spectrum via neutron-time-of-flight (nTOF) and magnetic recoil spectrometer detectors. The nTOF measurements, in particular, have the ability to measure a wide range of neutron energies and thus scattering angles, with high precision. However, the neutrons that are backscattered into the detector must transit through the entire dense fuel assembly, and as a result are subject to rescattering effects, which have been heretofore neglected in the interpretation of OMEGA neutron spectra. At the backscatter edge, neglecting rescattering on OMEGA can lead to a ~10 to 20% reduction of the apparent areal density and therefore must be included in the analysis. The low ρR s on OMEGA also mean that backgrounds from non-target physics effects, such as scattering in the target chamber or slow scintillator decays, can significantly alter the measured signal. Here, we discuss how the Monte Carlo neutron spectrum postprocessor IRIS is used to include second-order scattering effects in the interpretation of the scattered neutron spectrum in OMEGA implosion experiments, and how dedicated implosion experiments are used to measure nTOF backgrounds in order to infer backscattered areal densities on OMEGA.

Deuterium↗

DOE OSTI2024

Photoluminescence probing of light absorption centers at silica laser damage

We use photoluminescence (PL) imaging to study damage growth precursors within laser damage sites on the surface of silica. Damage site evolution is induced by multiple shots of UV nanosecond pulsed laser at various energy densities and monitored throughout the early stages of growth. Wide-field PL imaging rapidly locates microscopic light absorption centers within the silica damage site. Our quantitative analysis shows that damage sites with strong local PL intensity show a higher probability of growth upon subsequent laser pulses. Scanning electron microscopy (SEM) paired with a study of PL spectrum shows that the strong PL intensity appears from the subsurface fractures with high defect density, which provides a local light absorption center leading to significant damage growth. We believe that this result offers an efficient optical damage mitigation strategy by providing a rapid and non-destructive optical inspection approach.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Ultrasound preliminary cyber-physical evaluation

In this assessment, we focused on identifying unwanted RF emissions from the subject devices. This consisted of two major approaches: 1) Monitor for emitted RF during operation and ensure it is within expected bounds. 2) Inspect circuit board construction for any geometry or design patterns that could lead to RF emissions, whether intentional or unintentional. These patterns include: a) Single-ended PCB traces that could operate as an antenna. b) Insufficient shielding around typically “noisy” components such as switching power supplies. c) Free-hanging high-speed signal wires with no shielding that could emit RF. Suspicious components and design patterns were given a plausible reason to be included in the design. Any suspicious components or patterns warranted reason for deeper investigation. After more in-depth analysis no components were found to be intentionally malicious or had unexpected functionality.

42 ENGINEERING↗

DOE OSTI2024

Advancing set-conditional set generation: Diffusion models for fast simulation of reconstructed particles

The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve as efficient surrogate models. We propose a fast emulation approach that combines simulation and reconstruction. In other words, a neural network generates a set of reconstructed objects conditioned on input particle sets. To make this possible, we advance set-conditional set generation with diffusion models. Using a realistic, generic, and public detector simulation and reconstruction package (COCOA), we show how diffusion models can accurately model the complex spectrum of reconstructed particles inside jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Precision Local Burnup Assessment Through Dynamic Peak Fitting in Atom Probe Tomography for Depleted, Enriched, and Irradiated Metallic and Ceramic Fuels

Abstract Burnup estimation in nuclear fuels is vital for evaluating fuel performance, transportation, and safe fuel storage. Accurate assessments of burnup from service period and spent fuels involve tracking the consumption of fissile isotopes of uranium (U) offering a direct insight into energy changes within the fuels especially for thermal spectrum reactors. In current approach, mass spectroscopic technique in atom probe tomography (APT) is utilized for accurate quantification of U isotopes. Quantification of U peaks in mass spectrum is performed on asymmetric shapes due to delayed signals, known as thermal tails, particularly for poorly conducting samples analyzed in laser mode. In this study, we introduce a novel quantification tool for isotopic analysis from APT datasets by developing a fitting algorithm based on shapes of the peaks. A MATLAB-based dynamic peak fitting toolbox is developed and designed to adapt to various peak shapes, ensuring accurate quantification of U isotopes. The effectiveness of this approach is demonstrated in standard Ni-Cr sample, depleted and enriched U samples, and U-based fuels with different burnup levels. The viability of this approach for isotopic quantification is demonstrated on both metallic and ceramic fuels.

Burnup↗

DOE OSTI2026

Robust Automatic EXAFS First-Shell Fits

Extended X-ray absorption fine structure (EXAFS) is a widely used technique for atomic structure determination. Fourier transformation connects EXAFS in k space and R space. However, determining the appropriate k-range for the transformation can be challenging, but critical for the first-shell fit. In this study, we present an automatic method to determine the k-range using the Larch package and a Python program. The first step is to estimate spectral noise across a series of k-ranges with a fixed minimum value and identify the optimal maximum value in the k-range (k max ). The k max is determined by an empirical noise threshold that marks the point where the noise level in the Fourier transformed spectrum changes dramatically. Using the obtained k max value, the first shell is modeled to determine the minimum k value (k min ) by optimizing the background function through alignment of the spectrum with theory. The optimal k min corresponds to the point of the minimum R-factor, which quantifies the difference between the experimental and fitted spectrum. Our method was tested on various typical datasets and yielded suitable k-ranges for Fourier transformation and accurate first-shell fits. This approach helps avoid unreliable, irreproducible data analysis, especially for noisy data from diluted samples, and enables robust automatic first-shell EXAFS fitting.

EXAFS analysis↗

DOE OSTI2025

SpectraCodec: A Hilbert curve-based method for encoding metadata in mass spectra for machine learning applications (SpectraCodec) v1

Machine learning approaches to mass spectrometry (MS) data analysis require structured metadata for optimal performance. However, current MS file formats necessitate external metadata sources, creating integration challenges that impede analytical workflows. Here, we present a novel approach for encoding metadata directly within mzML files using one-hot encoding of ASCII characters mapped via Hilbert space-filling curves. This strategy embeds metadata in the first spectrum's m/z-intensity space, ensuring persistence with the primary data, eliminating the need for external metadata files, and maintaining compatibility with existing MS software. We demonstrate that the Hilbert curve mapping efficiently utilizes the two-dimensional spectral space while maintaining robust data recovery. This method offers a practical solution for machine learning applications in mass spectrometry by ensuring metadata and spectral data remain unified through all stages of analysis.

Bowen, Benjamin [Lawrence Berkeley National Labora↗

DOE OSTI2026

Reviving sub-keV warm dark matter: a UVLF-based analysis

Thermal warm dark matter (WDM) particles with m WDM ≤ 1 keV are ruled out at more than 4σ by multiple observational probes, owing to the strong suppression of small-scale structure induced by early-time free-streaming. Recently, it was highlighted that a small admixture of ∼ 1% (f CDM ∼ 0.01) cold dark matter (CDM) endowed with a blue-tilted isocurvature spectrum could offset the WDM-induced suppression and relax the WDM mass bound by a factor of 𝒪(10). If viable, this “warm + cold-isocurvature” scenario would allow sub-keV WDM particles to constitute nearly the full dark matter abundance while potentially alleviating some small-scale tensions. In this work, we test this mechanism by constraining the WDM mass mWDM while marginalizing over CDM isocurvature parameters. We combine ultraviolet luminosity function measurements from the Hubble Space Telescope and James Webb Space Telescope over redshift 4 ≤ z ≤ 11 with CMB, BAO, and SNe data. For a pure WDM model, our joint analysis yields a lower bound m WDM > 1.8 keV (95% credible intervals). When CDM isocurvature is introduced at f CDM = 0.01, the limit relaxes to m WDM > 0.27 keV (95% credible intervals), reflecting a shallow degeneracy in which blue-tilted isocurvature fluctuations partially compensate for WDM suppression. These results provide new constraints on thermal WDM in the presence of CDM isocurvature fluctuations and quantify the extent to which such fluctuations can mask the small-scale signatures of light relics.

cosmological parameters from CMBR↗

DOE OSTI2026

PIXE – State of the Art, Systems, Challenges

Particle-induced X-ray emission (PIXE) is an analytical technique for elemental analysis in which a charged-particle beam (most commonly protons, but also alpha particles or heavier ions) ionizes inner-shell electrons in target atoms. When these vacancies are filled by outer-shell electrons, the atom emits characteristic X-rays (e.g., Kα, Kβ, L-series) whose energies are unique to each element. Measuring the X-ray spectrum therefore enables identification of the elements present and, with appropriate calibration and modeling, their concentration. PIXE provides rapid, simultaneous, quantitative multi-element detection with trace-level sensitivity for many mid- to high-Z elements, often with minimal sample preparation. It is widely used across materials science (thin films, alloys, corrosion), geology (mineral chemistry, provenance) and environmental monitoring (aerosols, particulates, soils); semiconductor contamination analysis (wafer surface/trace metals), cultural heritage (pigments, inks, archaeological artifacts) and forensics (gunshot residue, glass/pain), and biological/medical studies (tissue/biomaterial trace-element mapping).

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Investigation of the iodate sorption mechanism by CoAl LDH through experiments and ab initio molecular dynamics simulations

Radioiodine released during the nuclear-fuel cycle constitutes a persistent radiological hazard. In this study, the IO 3 – uptake mechanism of CoAl LDH was resolved by combining pH-controlled sorption experiments, synchrotron XAFS, and DFT-based AIMD simulations. At pH close to 6, approximately 90% of IO 3 – was removed, and the equilibrium distribution coefficient reached about 1.7 × 10 4 mL g –1 . EXAFS analysis indicated an average iodine–oxygen bond length of 1.81 Å and a coordination number near 3, with the fit R-factor equal to 0.002. The simulations faithfully reproduced the experimental spectrum and revealed transient proton hopping events that generated metastable I–O–H species inside the interlayer, thereby confirming nitrate-to-iodate exchange as the controlling capture pathway. Atomic density profiles and radial distribution functions further showed that IO 3 – adopt an end-on orientation perpendicular to the hydroxide sheets, while water molecules mediate proton migration without disturbing the host lattice. In conclusion, the integrated experimental–computational evidence demonstrates that CoAl LDH can rapidly and selectively sequester IO 3 – under near-neutral conditions, offering atomic scale guidance for the rational engineering of layered sorbents for advanced radioactive-waste treatment.

Kang, Jaehyuk [Jeju National Univ. (Korea, Republi↗