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DOE OSTI2025

Unraveling Hydrogen Induced Geochemical Reaction Mechanisms through Coupled Geochemical Modeling and Machine Learning

Underground hydrogen storage (UHS) provides a promising large-scale, long-term energy storage solution. A reasonable recovery of stored hydrogen is critical for a successful storage scheme. However, in subsurface reservoirs hydrogen is subject to active geochemical reactions that might result in hydrogen loss. In this study, we implemented a geochemical modeling approach coupled with an unsupervised machine learning technique called non-negative matrix factorization (NMF) to unravel the complex brine-rock-H 2 geochemical processes responsible for hydrogen losses, with particular focus on sulfate reduction reactions. NMF is applied to modeled mineral evolution and fluid component profiles to retrieve profiles that can be interpreted to more easily assess competing processes. NMF decouples simulated competing equilibrium reactions. This facilitates separation of overlapping reaction profiles from redox processes, dissolution fronts, and secondary precipitation while considering the effects of simulation parameters such as salinity, temperature, and total H 2 pressure. NMF successfully discriminates these competing effects in nonlinear ways, allowing robust interpretation. In addition, NMF reveals subtle coupled mineral associations and reaction fronts that are invisible to conventional model analysis. This integrated approach strengthens the conceptual understanding of complex nonlinear hydrogen-brine-rock interactions and advances geochemical research on UHS systems to resolve complexities in modeled geochemical systems without the need for direct experiments or prior knowledge. Furthermore, this study highlights the efficacy of combining geochemical modeling with machine learning techniques to enhance the interpretability of the intricate geochemical simulation output through deciphering the overlapping reaction path that cannot be achieved only using conventional analysis of geochemical models alone.

08 HYDROGEN↗

DOE OSTI2025

From oversimplified to overlooked: The case for exploring rich dark sectors

The Standard Model (SM) of particle physics provides a very successful description of fundamental particles and their interactions but it is incomplete, as neutrino masses, dark matter and the baryon asymmetry of the Universe indicate. In addition, the origin of masses and of the approximate fundamental symmetries call out for deeper explanations. The quest for a New SM Theory, that extends the SM to a more general theory, is ongoing. For decades the main focus has been on the TeV scale, but despite an impressive theoretical and experimental effort, no hints of new physics at such scale has been found in experiments. Dark sectors provide an interesting alternative to TeV scale extensions of the SM to explain the open questions in particle and astroparticle physics. Going beyond minimal models, rich dark sectors extend the SM to a complex theory with multiple particles and interactions, in analogy to the SM itself. They have a wealth of theoretical and astrophysical/cosmological consequences and can lead to phenomenological signatures that can be markedly different to that of minimal ones. These include short-lived particles and semi-visible decay signatures, as opposed to minimal models where new states are typically long-lived and purely visible or invisible resonances. Given the experimental configurations and analysis strategies, current dark sector searches might miss such signatures. We advocate a dedicated programme of searches for rich dark sectors that overcomes the assumptions on minimality and on the long lifetime of particles and encompasses a broader range of possibilities. Here, we discuss a prototype model that includes a complex structure akin to the SM: multiple generations of fermions charged under a new spontaneously-broken gauge symmetry.

Dark matter↗

DOE OSTI2024

Dark sector searches with the CMS experiment

Astrophysical observations provide compelling evidence for gravitationally interacting dark matter in the universe that cannot be explained by the standard model of particle physics. The extraordinary amount of data from the CERN LHC presents a unique opportunity to shed light on the nature of dark matter at unprecedented collision energies. This Report comprehensively reviews the most recent searches with the CMS experiment for particles and interactions belonging to a dark sector and for dark-sector mediators. Models with invisible massive particles are probed by searches for signatures of missing transverse momentum recoiling against visible standard model particles. Searches for mediators are also conducted via fully visible final states. The results of these searches are compared with those obtained from direct-detection experiments. Searches for alternative scenarios predicting more complex dark sectors with multiple new particles and new forces are also presented. Many of these models include long-lived particles, which could manifest themselves with striking unconventional signatures with relatively small amounts of background. Searches for such particles are discussed and their impact on dark-sector scenarios is evaluated. Many results and interpretations have been newly obtained for this Report.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Forecasting Battery Electrode Performance via Electrochemical Fluorescence Microscopy and Machine-Learning

Predicting lithium-ion battery performance is hindered by microscale electrode heterogeneities invisible to conventional diagnostics. Here, we combine electrochemical fluorescence microscopy (EFM), which maps electronic connectivity by visualizing an electrofluorophore reaction distribution, with a multitask ElasticNet regression to forecast discharge capacity from spatial heterogeneity. Analyzing 196 images from six pilot-scale LiNi 0.5 Mn 0.3 Co 0.2 O 2 cathodes with varying carbon loadings, we extract 62 descriptors that capture morphology and texture. A compact five-feature model predicts capacity across eight discharge rates, achieving a per-target R 2 of up to 0.63 and an overall R 2 of 0.92, with a mean absolute percentage error of less than 2%. This performance rivals impedance-based approaches while avoiding their reliance on postformation data and incomplete electronic network information. Our facile and rapid, image-driven method may enable electrode quality control upstream of costly cell assembly to offer a transformative tool for data-driven battery research and manufacturing.

battery electrodes↗

DOE OSTI2024

BioRT‐HBV 1.0: A Biogeochemical Reactive Transport Model at the Watershed Scale

Abstract Reactive Transport Models (RTMs) are essential tools for understanding and predicting intertwined ecohydrological and biogeochemical processes on land and in rivers. While traditional RTMs have focused primarily on subsurface processes, recent watershed‐scale RTMs have integrated ecohydrological and biogeochemical interactions between surface and subsurface. These emergent, watershed‐scale RTMs are often spatially explicit and require extensive data, computational power, and computational expertise. There is however a pressing need to create parsimonious models that require minimal data and are accessible to scientists with limited computational background. To that end, we have developed BioRT‐HBV 1.0, a watershed‐scale, hydro‐biogeochemical RTM that builds upon the widely used, bucket‐type HBV model known for its simplicity and minimal data requirements. BioRT‐HBV uses the conceptual structure and hydrology output of HBV to simulate processes including advective solute transport and biogeochemical reactions that depend on reaction thermodynamics and kinetics. These reactions include, for example, chemical weathering, soil respiration, and nutrient transformation. The model uses time series of weather (air temperature, precipitation, and potential evapotranspiration) and initial biogeochemical conditions of subsurface water, soils, and rocks as input, and output times series of reaction rates and solute concentrations in subsurface waters and rivers. This paper presents the model structure and governing equations and demonstrates its utility with examples simulating carbon and nitrogen processes in a headwater catchment. As shown in the examples, BioRT‐HBV can be used to illuminate the dynamics of biogeochemical reactions in the invisible, arduous‐to‐measure subsurface, and their influence on the observed stream or river chemistry and solute export. With its parsimonious structure and easy‐to‐use graphical user interface, BioRT‐HBV can be a useful research tool for users without in‐depth computational training. It can additionally serve as an educational tool that promotes pollination of ideas across disciplines and foster a diverse, equal, and inclusive user community.

Sadayappan, Kayalvizhi↗

DOE OSTI2026

Deep learning–driven rare-event sampling reveals an Ala7/d-Ala8 conformational hinge governing amphiphilic switching in cyclosporine A

Passive membrane permeability of N-methylated macrocyclic peptides remains poorly understood because high-energy conformational intermediates are rarely sampled by conventional methods. Using the deep learning–driven rare-event sampling framework ES-CRUMPLE, we show that cyclosporine A accesses transient amphiphilic states via a localized conformational hinge at Ala7/d-Ala8, revealing a kinetic design handle that is invisible to population-based analyses.

Lindberg, Edward T [University of Tennessee, Knoxv↗

DOE OSTI2026

Adjustable collimation for dark-field proton radiography contrast enhancement

A dark-field imaging condition established through pre- and post-object beam collimation has been tested for a variety of different settings at the proton radiography facility (pRad) at Los Alamos National Laboratory. This technique facilitates imaging of thin samples and materials with small areal density changes with 800 MeV protons that would otherwise appear nearly transparent for high energy protons. In the configuration that was examined, the pre-object (upstream) collimator is utilized to remove protons with large scattering angles prior to the target object. The post-object collimation entails a combination of a conventional collimator, which eliminates protons with large scattering angles after target interaction, and an inverse collimator. The inverse collimator removes unscattered protons traveling on the beam axis and those with smaller scattering angles up to a desired angle. This establishes a dark-field condition by permitting solely protons that exhibit scattering angles from target interaction within a designated range to contribute to the image. This study explores the potential of combining different sized collimators for pre- and post-object collimation. The objective is to optimize contrast for a range of samples with minimal areal density variations. A series of dark-field conditions are explored employing a remote-controlled collimator wheel and the contrast-to-noise ratio, spatial resolution, and proton transmission are compared for those combinations. It is found that the contrast-to-noise ratio can be substantially enhanced for thin samples and low areal density objects, thereby facilitating capturing high-contrast images of objects that were previously invisible to high energy protons.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

Combined measurements and interpretations of Higgs boson production and decay in proton–proton collisions at $\sqrt{s}$ = 13 TeV

Combined measurements of Higgs boson production and decay rates are reported, representing the most comprehensive study performed by the CMS Collaboration to date. The included analyses use proton–proton collision data recorded by the CMS experiment at $\sqrt{s}$ = 13 TeV from 2016 to 2018, corresponding to an integrated luminosity of 138 fb –1 . The statistical combination is based on analyses that measure the following decay channels: H → γγ, H → ZZ, H → WW, H → ππ, H → bb, H → μμ, and H → Zγ. Information in the events from each decay channel is used to target multiple Higgs boson production processes. Searches for invisible Higgs boson decays are also considered, as well as an analysis that measures off-shell Higgs boson production in the H → ZZ → 4$\ell$ ($\ell$ = e, μ) decay channel. The best fit inclusive signal yield is measured to be 1.014$^{+0.055}_{–0.053}$ times the standard model (SM) expectation, for a Higgs boson mass of 125.38 GeV. Measurements in kinematic regions defined by the simplified template cross section framework are also provided, as well as interpretations in the coupling modifier and SM effective field theory frameworks. The coupling modifier interpretation is further used to place constraints on various two-Higgs-doublet models. The results show good compatibility with the SM predictions for the majority of the measured parameters.

CMS↗

DOE OSTI2024

Cryogenic aspects of a 20 MW class low-temperature superconducting generator for the renewables industry

In this paper we give a progress update on the cryogenic design for cooling a 20 MW class, partially superconducting generator with stationary field coils for offshore wind renewables industry [1-2]. This is a continuation of an earlier program on a 10 MW system dating back ten years. Whereas this new power rating increase leads to a radial diameter expansion of the superconducting field coils from 4 to > 9.5 m, it maintains the axial length. We show the design based on this scaled up with enlarged diameter. The field coil size increase asks for higher cooling power that leads to a bigger cold box size to accommodate the cryocoolers. In the design, as many as 8 cryocoolers can be accessed and serviced from the nacelle that houses the main cryogenic components. A typical thermal load balance sheet with all components is given and compared against the available cryocooler cooling power at different operating conditions. Due to the cryocoolers’ local point of contact cooling within the nacelle, the temperature gradient of the thermal shield that fully encloses the cold mass with its embedded field coils needs to be balanced out to minimize the heat burden on the field coils. This requires additional analytical efforts and implementation of further design features. The extended nacelle houses the cold box with its cryogenic infrastructure. The interface for the envisaged cryogenic pushbutton closed-loop circulating system remains invisible, requires no handling of cryogenic liquids and is hermetically closed. The field coil diameter increase also leads to a greater initial helium gas storage volume. In addition, it requires higher initial room temperature fill pressure within the toroidal helium vapor storage tanks and in cooling tubes connecting to the cryocoolers. The toroidal helium gas tanks are thermally coupled with the thermal shield so that helium convection inside the storage tank can improve heat transfer and reduce the temperature gradient of the thermal shield. Besides those heat transfer challenges, additional mechanical strain within this large structure is exerted on the torque tubes during initial cooldown and when energizing field coils. Some of those design challenges are quite unexpected, leading to novel workarounds in order to maintain the chosen cooling strategy. Finally, we assess those design limitations in view of further cryogenic scalability with emphasis on manufacturability and assembly.

cryogenics↗

DOE OSTI2026

Wasserstein normalized autoencoder for anomaly detection

A novel anomaly detection algorithm is presented. The Wasserstein normalized autoencoder (WNAE) is a normalized probabilistic model that minimizes the Wasserstein distance between the learned probability distribution—a Boltzmann distribution where the energy is the reconstruction error of the autoencoder (AE)—and the distribution of the training data. This algorithm has been developed and applied to the identification of semivisible jets—conical sprays of visible standard model (SM) particles and invisible dark matter states—with the CMS experiment at the CERN LHC. Trained on jets of particles from simulated SM processes, the WNAE is shown to learn the probability distribution of the input data in a fully unsupervised fashion, such that it effectively identifies new physics jets as anomalies. The model exhibits stable, convergent training and recovers strong classification performance for a wide range of signals against the selected background process, for which a standard AE fails because of outlier reconstruction. In addition, the model improves upon standard normalized autoencoders while remaining fully agnostic to the signal. The WNAE directly tackles the problem of outlier reconstruction, a common failure mode of autoencoders in anomaly detection tasks.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗

DOE OSTI2025

Scanning Transmission Electron Microscopy–Atom Probe Tomography Correlative Analysis for the Characterization of Solute-defect Interactions

Atom probe tomography (APT) and (scanning) transmission electron microscopy ((S)TEM) are complementary techniques that provide spatially resolved chemical and structural information at the atomic scale. Here, in this study, we employ two different STEM/APT correlative analysis methods to investigate Cr segregation at dislocation loops in ultra-high purity Fe–Cr alloys. APT needles for the correlative analysis were extracted either from bulk material or from thinned TEM lamellae. STEM analysis was used to determine the Burgers vectors of ion-irradiation-induced dislocation loops, while APT reconstruction of the same region revealed the Cr segregation to these loops. We extended the g•b = 0 invisibility criterion of dislocation loops from TEM mode in a lamella to STEM mode in a needle-shaped specimen. STEM and APT analysis on the same needle provide straightforward correlative analysis, although it is limited by a small observation volume. In contrast, iterative STEM analysis of TEM lamellae, followed by the selective extraction of specific regions of interest for APT analysis, expands the observation area by up to 100 times but requires additional time-consuming steps for APT needle extraction from the lamellae.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Search for new physics in final states with semivisible jets or anomalous signatures using the ATLAS detector

A search is presented for hadronic signatures of beyond the Standard Model (BSM) physics, with an emphasis on signatures of a strongly coupled hidden dark sector accessed via resonant production of a 𝑍′ mediator. The ATLAS experiment dataset collected at the Large Hadron Collider from 2015 to 2018 is used, consisting of proton-proton collisions at $\sqrt{𝑠}$ = 13 TeV and corresponding to an integrated luminosity of 140 fb −1 . The 𝑍′ mediator is considered to decay to two dark quarks, which each hadronize and decay to showers containing both dark and Standard Model particles, producing a topology of interacting and noninteracting particles within a jet known as “semivisible.” Machine learning methods are used to select these dark showers and reject the dominant background of mismeasured multijet events, including an anomaly detection approach to preserve broad sensitivity to a variety of BSM topologies. A resonance search is performed by fitting the transverse mass spectrum based on a functional form background estimation. No significant excess over the expected background is observed. Results are presented as limits on the production cross section of semivisible jet signals, parametrized by the fraction of invisible particles in the decay and the 𝑍′ mass, and by quantifying the significance of any generic Gaussian-shaped mass peak in the anomaly region.

particle dark matter↗

DOE OSTI2026

Temporal entanglement transitions in the periodically driven Ising chain

Periodically driven quantum systems can host non-equilibrium phenomena without static analogs, including in their entanglement dynamics. Here, we discover (TET) in a Floquet spin chain, which correspond to a quantum phase transition in the spectrum of the entanglement Hamiltonian and are signaled by dynamical spontaneous symmetry breaking. We identify the symmetry principles underlying these transitions: they appear when the driven Hamiltonian preserves global symmetry (here, ℤ2), the initial state respects this symmetry, and the reduced density matrix carries weight in both subsystem-parity sectors, with TET occurring precisely when the sector weights become equal (given the previous two conditions are also satisfied). Intriguingly, we find these transitions across a broad range of driving frequencies (from adiabatic to high-frequency regime) and independently of drive details, where they manifest as periodic, sharp entanglement spectrum reorganizations marked by the Schmidt-gap closure, a vanishing entanglement echo, and symmetry-quantum-number flips, while remaining invisible to conventional local observables. At high frequencies, the entanglement Hamiltonian acquires an intrinsic timescale decoupled from the drive period, rendering the transitions genuine steady-state features. Finite-size scaling reveals universal critical behavior with correlation-length exponent 𝜈 = 1, matching equilibrium Ising universality despite its emergence from purely dynamical mechanisms decoupled from static criticality. Furthermore, our work establishes TET as novel features in Floquet quantum matter.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Nucleon Decays into Light New Particles in Neutrino Detectors

Proton and neutron decays into light new particles 𝑋 can drastically change the experimental signatures and benefit from the complementarity of large water-Cherenkov neutrino detectors such as Super- and Hyper-Kamiokande and tracking detectors such as JUNO and DUNE. The proton decays 𝑝 → ℓ + ⁢𝑋 and 𝑝 → 𝜋 + ⁢𝑋 with 𝑚 𝑋 near phase-space closure lead to charged particles below the Cherenkov threshold, rendering them practically invisible in Super- and Hyper-Kamiokande but not in JUNO and DUNE, which are therefore uniquely positioned for these baryon-number-violating signatures despite their smaller size. As an additional signature, such nucleon decays in the Earth can produce a sizable flux of 𝑋 particles in underground detectors. We present a simple model in which nucleons decay into sub-GeV sterile neutrinos that subsequently decay through active-sterile neutrino mixing, with a promisingly large number of events in Super-Kamiokande even in the seesaw-motivated parameter space.

Baryon & lepton number symmetries↗

DOE OSTI2026

Axionlike particles and sterile neutrinos solve the 𝐵 → 𝐾⁢$𝜈⁢\bar{𝜈}$ and 𝐵 → 𝜋⁢𝐾 puzzles

The recent measurement of the branching ratio of 𝐵 + → 𝐾 + +inv (where “inv” denotes invisible states) by the Belle II Collaboration is enhanced relative to the standard model expectation by 2.7⁢𝜎. An older puzzle persists in measurements of the branching ratios and 𝐶⁢𝑃 asymmetries of 𝐵 → 𝜋⁢𝐾 decays. We address these two anomalies in flavor-changing neutral current 𝐵 decays, with a short-lived axionlike particle (ALP) with mass close to that of the 𝜋 0 . In the model with the minimum number of new couplings, the ALP has couplings to the photon, top quark and a heavy sterile neutrino. The ALP contributes to the 𝐵 → 𝜋 0 ⁢𝐾 decays by mixing with the 𝜋 0 . It contributes to 𝐵 + → 𝐾 + + inv by its off-shell coupling to sterile neutrino pairs. The model can explain the excess in the total rate, but not the observed distribution of signal events. We make predictions for all 𝐵 → 𝐾 (*) + inv modes and for the rare kaon decays, 𝐾 + → 𝜋 + + inv and 𝐾 𝐿 → 𝜋 0 + inv. We find an appreciable contribution to the magnetic moment of the muon, and negligible contributions to the magnetic moment of the electron and 𝑏 → 𝑠⁢𝑒 + ⁢𝑒 − .

axion-like particles↗

DOE OSTI2026

Coherence-Induced Deep Thermalization Transition in Random Permutation Quantum Dynamics

We report a phase transition in the projected ensemble—the collection of postmeasurement wave functions of a local subsystem obtained by measuring its complement. The transition emerges in systems undergoing random permutation dynamics, a type of quantum time evolution wherein computational basis states are shuffled without creating superpositions. It separates a phase exhibiting deep thermalization, where the projected ensemble is distributed over Hilbert space in a maximally entropic fashion (Haar random), from a phase where it is minimally entropic (“classical bit-string ensemble”). Crucially, this deep thermalization transition is invisible to the subsystem’s density matrix, which always exhibits thermalization to infinite temperature across the phase diagram. Through a combination of analytical arguments and numerical simulations, we show that the transition is tuned by the total amount of injected by the input state and the measurement basis, and is exhibited robustly across different microscopic models. Our findings represent a novel form of ergodicity-breaking universality in quantum many-body dynamics, characterized not by a failure of regular thermalization, but rather by a failure of deep thermalization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Stau pairs from natural SUSY at high luminosity LHC

Natural supersymmetry (SUSY) with light Higgsinos is perhaps the most plausible of all weak scale SUSY models while a variety of motivations point to (right) tau sleptons as the lightest of all the sleptons. We examine a SUSY model line with rather light right staus embedded within natural SUSY. For light τ ˜ 1 of a few hundred GeV, the decays τ ˜ 1 → τ χ ˜ 1 , 2 0 and ν τ χ ˜ 1 − occur at comparable rates where the (Higgsino-like) χ ˜ 1 ± and χ ˜ 2 0 release only small visible energy: in this case, the expected τ + τ − + E T signature is diminished from the usual expectations due to the presence of the nearly invisible decay mode τ ˜ 1 → ν τ χ ˜ 1 − . However, once m τ ˜ 1 ≳ m ( b i n o ) , decays to binos such as τ ˜ 1 → τ χ ˜ 3 0 open up where χ ˜ 3 0 decays to Higgsinos plus W ± , Z 0 , and h at comparable rates. For these heavier staus, the stau pair production gives rise to diboson + E T events, which may contain 0, 1, or 2 additional hard τ leptons. From these considerations, we examine the potential for future discovery of tau-slepton pair production at a high-luminosity LHC. While we do not find a 5 σ HL-LHC discovery reach for 3000 fb − 1 , we do find a 95% CL exclusion reach, ranging between m τ ˜ 1 : 100 – 450 GeV for m χ ˜ 1 0 ∼ 100 GeV . This latter reach disappears for m χ ˜ 1 0 ≳ 200 GeV . Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2024

Constraints on light dark sector particles from lifetime difference of heavy neutral mesons

Heavy meson decays with missing energy in the final state offer interesting avenues to search for light invisible new physics such as dark matter (DM). In this context, we show that such new physics (NP) interactions also affect lifetime difference in neutral meson-antimeson mixing. We consider general dimension-six effective quark interactions involving a pair of DM particles and calculate their contributions to lifetime difference in beauty and charm meson systems. We use the latest data on mixing observables to constrain the relevant effective operators. We find that lifetime differences provide novel and complementary flavor constraints compared to those obtained from heavy meson decays. Published by the American Physical Society 2024

Astronomy & Astrophysics↗