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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Functional Relevance of CASP16 Nucleic Acid Predictions as Evaluated by Structure Providers

ABSTRACT Accurate biomolecular structure prediction enables the prediction of mutational effects, the speculation of function based on predicted structural homology, the analysis of ligand binding modes, experimental model building, and many other applications. Such algorithms to predict essential functional and structural features remain out of reach for biomolecular complexes containing nucleic acids. Here, we report a quantitative and qualitative evaluation of nucleic acid structures for the CASP16 blind prediction challenge by 12 of the experimental groups who provided nucleic acid targets. Blind predictions accurately model secondary structure and some aspects of tertiary structure, including reasonable global folds for some complex RNAs; however, predictions often lack accuracy in the regions of highest functional importance. All models have inaccuracies in non‐canonical regions where, for example, the nucleic‐acid backbone bends, deviating from an A‐form helix geometry, or a base forms a non‐standard hydrogen bond (not a Watson‐Crick base pair). These bends and non‐canonical interactions are integral to forming functionally important regions such as RNA enzymatic active sites. Additionally, the modeling of conserved and functional interfaces between nucleic acids and ligands, proteins, or other nucleic acids remains poor. For some targets, the experimental structures may not represent the only structure the biomolecular complex occupies in solution or in its functional life cycle, posing a future challenge for the community.

Biochemistry & Molecular Biology↗
DOE OSTI2024

Inclusive and differential cross-section measurements of $ t\overline{t}Z$ production in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector, including EFT and spin-correlation interpretations

Measurements of both the inclusive and differential production cross sections of a top-quark-top-antiquark pair in association with a Z boson ($t\overline{t}Z$) are presented. Final states with two, three or four isolated leptons (electrons or muons) are targeted. The measurements use the data recorded by the ATLAS detector in pp collisions at $\sqrt{s}$ = 13 TeV at the Large Hadron Collider during the years 2015–2018, corresponding to an integrated luminosity of 140 fb -1 . The inclusive cross section is measured to be ${\sigma}_{t\overline{t}Z}$ = 0.86 ± 0.04 (stat.) ± 0.04 (syst.) pb and found to be in agreement with the most advanced Standard Model predictions. The differential measurements are presented as a function of a number of observables that probe the kinematics of the $t\overline{t}Z$ system. Both the absolute and normalised differential cross-section measurements are performed at particle level and parton level for specific fiducial volumes, and are compared with NLO+NNLL theoretical predictions. The results are interpreted in the framework of Standard Model effective field theory and used to set limits on a large number of dimension-6 operators involving the top quark. The first measurement of spin correlations in $t\overline{t}Z$ events is presented: the results are in agreement with the Standard Model expectations, and the null hypothesis of no spin correlations is disfavoured with a significance of 1.8 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Neural network-based classification and regression of magnetohydrodynamic modes in tokamaks

We present a machine learning-based magnetohydrodynamic (MHD) classifier and regressor that utilizes real or complex-valued 3D magnetic sensor array data to determine neoclassical tearing mode (NTM) onset times in tokamaks with millisecond accuracy. The input dataset consists of poloidal profiles of complex Fourier amplitudes with an n = 1 toroidal mode number from 144 human-labeled ITER Baseline Scenario discharges in the DIII-D tokamak, spanning both tearing-dominated and sawtooth-dominated regimes. Since m, n = 2,1 NTMs frequently emerge alongside sawteeth at the same frequency in this scenario, the focus is on isolating the m = 1 and m = 2 components of the n = 1 MHD mode near the tearing onset. To improve model regularization and prediction stability, singular value decomposition was applied to balance the sawtooth and tearing datasets. The enriched datasets facilitated training neural networks that learn the key distinguishing features of sawtooth and tearing modes in the poloidal profiles of their magnetic amplitude and phase. When the modes occur independently, the networks achieve perfect classification due to the modes’ distinct characteristics and low measurement noise. In the more experimentally relevant case where both modes coexist, the networks maintain exceptional performance across key metrics. Tests on synthetic data with known ground truth demonstrate the superior accuracy of the neural network trained on complex-valued input compared to models using real amplitude, phase, or pseudo-complex data, achieving both a mean time delay and standard deviation below 1 ms. Notably, standard linear regression methods fitting the dominant singular modes to the data closely match the neural network’s performance. Applying these methods across a broad range of H-mode scenarios will enable future studies to systematically identify dominant NTM triggers as scenario-specific variables, paving the way for more effective tearing mode avoidance strategies in future fusion reactor designs.

machine learning↗
DOE OSTI2025

Dark Matter Velocity Distributions for Direct Detection: Astrophysical Uncertainties Are Smaller Than They Appear

The sensitivity of direct detection experiments depends on the phase-space distribution of dark matter near the Sun, which can be modeled theoretically using cosmological hydrodynamical simulations of Milky Way–like galaxies. However, capturing the halo-to-halo variation in the local dark matter speeds—a necessary step for quantifying the astrophysical uncertainties that feed into experimental results—requires a sufficiently large sample of simulated galaxies, which has been a challenge. In this Letter, we quantify this variation with nearly 100 Milky Way–like galaxies from the tng50 simulation, the largest sample to date at this resolution. Moreover, we introduce a novel phase-space scaling procedure that endows every system with a reference frame that accurately reproduces the local standard-of-rest speed of our Galaxy, providing a principled way of extrapolating the simulation results to real-world data. The ensemble of predicted speed distributions is well characterized by the standard halo model, a Maxwell-Boltzmann distribution truncated at the escape speed, though the individual distributions can deviate from it, especially at high speeds. The dark matter–nucleon cross section limits placed by these speed distributions vary by ∼ 60% about the median. This places the 1⁢𝜎 astrophysical uncertainty at or below the level of the systematic uncertainty of current ton-scale detectors, even down to the energy threshold. The predicted uncertainty remains unchanged when subselecting on those TNG 50 galaxies with merger histories similar to the Milky Way. Tabulated speed distributions, as well as Maxwell-Boltzmann fits, are provided for use in computing direct detection bounds or projecting sensitivities.

Milky Way↗
DOE OSTI2024

Fiducial and differential cross-section measurements of electroweak $W\gamma jj$ production in $pp$ collisions at $\sqrt{s} = 13$ TeV with the ATLAS detector

The observation of the electroweak production of a W boson and a photon in association with two jets, using pp collision data at the Large Hadron Collider at a centre of mass energy of $\sqrt{s} = 13$ TeV, is reported. The data were recorded by the ATLAS experiment from 2015 to 2018 and correspond to an integrated luminosity of 140 fb -1 . This process is sensitive to the quartic gauge boson couplings via the vector boson scattering mechanism and provides a stringent test of the electroweak sector of the Standard Model. Events are selected if they contain one electron or muon, missing transverse momentum, at least one photon, and two jets. Multivariate techniques are used to distinguish the electroweak $W\gamma jj$ process from irreducible background processes. The observed significance of the electroweak $W\gamma jj$ process is well above six standard deviations, compared to an expected significance of 6.3 standard deviations. Fiducial and differential cross sections are measured in a fiducial phase space close to the detector acceptance, which are in reasonable agreement with leading order Standard Model predictions from MADGRAPH5+PYTHIA8 and SHERPA. The results are used to constrain new physics effects in the context of an effective field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Observation of the Jet Diffusion Wake Using Dijets in Heavy-Ion Collisions

Energetic quarks and gluons traversing a hot and dense quark-gluon plasma deposit energy and momentum into the medium before hadronizing to collimated sprays of particles, known as jets. This energy-momentum deposition is expected to produce medium responses, collectively known as jet wakes, with “diffusion wake” denoting a depletion of particles in the direction opposite to the propagating jet. The diffusion wake is studied by comparing dijet-hadron correlations measured in lead-lead (PbPb) and proton-proton (pp) collisions. The analysis uses PbPb and pp data recorded at a nucleon-nucleon (NN) center-of-mass energy s NN = 5.02 TeV with the CMS detector at the CERN LHC. By exploring how the dijet-hadron correlation distributions differ for various pseudorapidity separations of the two jets in the dijet, the presence of a jet diffusion wake is firmly established. The diffusion wake signal has a significance greater than 5 standard deviations for charged particles in the transverse momentum range 1 < p T < 2 GeV . The measurements are compared with model predictions with and without jet wake effects, providing new insights into quark-gluon plasma properties and the formation of jet-induced wakes.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2024

Probing New physics with high-redshift quasars: axions and non-standard cosmology

The Hubble diagram of quasars, as candidates to “standardizable” candles, has been used to measure the expansion history of the Universe at late times, up to very high redshifts ( z ~ 7). It has been shown that this history, as inferred from the quasar dataset, deviates at ≳ 3 σ level from the concordance (ΛCDM) cosmology model preferred by the cosmic microwave background (CMB) and other datasets. In this article, we investigate whether new physics beyond ΛCDM (BΛCDM) or beyond the Standard Model (BSM) could make the quasar data consistent with the concordance model. We first show that an effective redshift-dependent relation between the quasar UV and X-ray luminosities, complementing previous phenomenological work in the literature, can potentially remedy the discrepancy. Such a redshift dependence can be realized in a BSM model with axion-photon conversion in the intergalactic medium (IGM), although the preferred parameter space is in tension with various other astrophysical constraints on axions, at a level depending on the specific assumptions made regarding the IGM magnetic field. We briefly discuss a variation of the axion model that could evade these astrophysical constraints. On the other hand, we show that models beyond ΛCDM such as one with a varying dark energy equation of state ( w CDM) or the phenomenological cosmographic model with a polynomial expansion of the luminosity distance, cannot alleviate the tension. The code for our analysis, based on emcee [1] and corner.py [2], is publicly available at github.com/ChenSun-Phys/high_z_candles.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Search for a new resonance decaying into two spin-0 bosons in a final state with two photons and two bottom quarks in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A search for a new boson X is presented using CERN LHC proton-proton collision data collected by the CMS experiment at $\sqrt{s}$ = 13 TeV in 2016–2018, and corresponding to an integrated luminosity of 138 fb -1 . The resonance X decays into either a pair of Higgs bosons HH of mass 125 GeV or an H and a new spin-0 boson Y. One H subsequently decays to a pair of photons, and the second H or Y, to a pair of bottom quarks. The explored mass ranges of X are 260–1000 GeV and 300–1000 GeV, for decays to HH and to HY, respectively, with the Y mass range being 90–800 GeV. For a spin-0 X hypothesis, the 95% confidence level upper limit on the product of its production cross section and decay branching fraction is observed to be within 0.90–0.04 fb, depending on the masses of X and Y. The largest deviation from the background-only hypothesis with a local (global) significance of 3.8 (below 2.8) standard deviations is observed for X and Y masses of 650 and 90 GeV, respectively. The limits are interpreted using several models of new physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

The vertical-velocity skewness in the atmospheric boundary layer without buoyancy and Coriolis effects

One of the main features of near-neutral atmospheric boundary layer (ABL) turbulence is the positive vertical velocity skewness $Sk_w$ above the roughness sublayer or the buffer region in smooth-walls. The $Sk_w$ variations are receiving renewed interest in many climate-related parameterizations of the ABL given their significance to cloud formation and to testing sub-grid schemes for Large Eddy Simulations (LES). The vertical variations of $Sk_w$ are explored here using wind tunnel and flume experiments collected above smooth, rough, and permeable-walls in the absence of buoyancy and Coriolis effects. These laboratory experiments form a necessary starting point to probe the canonical structure of $Sk_w$ as they deal with a key limiting case (i.e., near-neutral conditions). Diagnostic models based on cumulant expansions, realizability constraints, and constant mass flux approach routinely employed in the convective boundary layer as well as prognostic models based on third-order budgets are used to explain variations in $Sk_w$ for the idealized laboratory conditions. The failure of flux-gradient relations to model $Sk_w$ from the gradients of the vertical velocity variance σ$_w^2$ are explained and corrections based on models of energy transport offered. Novel links between the diagnostic and prognostic models are also featured, especially for the inertial term in the third-order budget of the vertical velocity fluctuation. The co-spectral properties of w′/σ w vs w′ 2 /σ$_w^2$ are also presented for the first time to assess the dominant scales governing $Sk_w$ in the inner and outer layers, where w′ is the fluctuating vertical velocity and σ w is the vertical velocity standard deviation.>

Boundary layer flow↗
DOE OSTI2024

Wind-induced torsion of parabolic trough collectors in operation

Parabolic trough collector (PTC) systems, a type of concentrating solar power (CSP), use parabolic mirrors to reflect the sun's rays toward an absorber tube to heat the fluid inside. PTCs track the sun throughout the day and are sensitive to angular misalignment, which reduces optical performance. Torsion of the PTC, exacerbated by wind loading, contributes to angular misalignment, which has been quantified by previous studies using numerical simulations and experimental tests. However, angular misalignment due to torsion and wind loading has not yet been studied in an operational plant, which can experience more extreme and variable conditions. This study characterizes the angular misalignment due to torsion at three rows of the Nevada Solar One CSP plant and investigates the influence of wind loading. These findings reveal substantial torsion along the PTC support structure that depends on wind conditions and orientation. Strong winds perpendicular to the PTCs increase the median angular displacement of the outermost row by up to 18 mrad and increase the standard deviation by up to 8 mrad when compared to weak wind conditions. These findings can inform enhanced PTC design, controls and modeling that will improve the performance, reliability and bankability of future CSP plants.

14 SOLAR ENERGY↗
DOE OSTI2025

Pantex Plant Ogallala Aquifer and Perched Groundwater Contingency Plan

The Pantex Plant Ogallala Aquifer and Perched Groundwater Contingency Plan has been developed in accordance with the requirements identified in the: • Interagency Agreement for the Pantex Superfund Site, Article 8.5 Work to be Performed, • Compliance Plan Provision of Hazardous Waste Permit No. 50284, and • Record of Decision for Groundwater, Soil, and Associated Media, Pantex Plant. A Long‐Term Monitoring System Design has been designed to monitor conditions in the perched groundwater including changes in the perched aquifer as a result of implementing the response actions. Monitoring is required for verifying the effectiveness of perched groundwater response actions (i.e., conditions in the perched aquifer are being affected as intended) and for confirming that the perched aquifer and Ogallala Aquifer characterization as defined in the Resource Conservation and Recovery Act Facility Investigation Report and the Corrective Measure Studies/Feasibility Study remains accurate. If monitoring results obtained through the monitoring network identify an unexpected condition or deviation, contingent actions will be considered and implemented as necessary to ensure continued protection of the Ogallala Aquifer and human health and the environment. Potential deviations to expected technology performance may be encountered for each of the four primary response actions that compose the selected remedy for perched groundwater; Playa 1 Pump and Treat System, Southeast Area Pump and Treat System, Southeast Area In‐Situ Bioremediation System (comprised of the Southeast In‐Situ Bioremediation System Original System, Southeast Area In‐Situ Bioremediation System Extension System, Offsite In‐Situ Bioremediation System, Perchlorate/Chromium ISB, Northeast ISB and County Road 8 ISB), and Zone 11 In‐Situ Bioremediation System. Monitoring will also be conducted to determine if there are deviations to the expected characterization, e.g., contaminants not expected as a result of the RCRA Facility Investigation characterization. Deviations to expected conditions in the Ogallala Aquifer could also be encountered if the response actions in the perched groundwater are not performing as expected, i.e., preventing contaminants from migrating to the Ogallala Aquifer. Currently, Pantex has begun investigation of detections of high explosives above groundwater protection standards in wells on the Texas Tech University property and a plume that is moving to the northeast from that area. Due to those detections, this Plan recognizes the fact that future detections in the Ogallala will be focused on first‐ time detections of analytes. After a remedy is determined, this Plan will require modification to address-deviations and contingent actions. This Plan was developed to identify the contingent actions necessary to mitigate impacts resulting from deviations to site conditions or response action performance. The Plan defines the environmental problem being addressed by the response actions, clarifies the expected conditions and objectives of the response actions, and identifies the potential deviations to the response actions (due to site conditions or technology performance) that could be encountered. The deviations were evaluated to determine the likelihood of occurrence, potential impact, and time to respond to avoid impact. The Plan also identifies the monitoring outlined in the Long‐Term Monitoring System Design Report (Consolidated Nuclear Security, 2024) and Sampling Analysis Plan (PanTeXas Deterrence, 2024) that will be used to detect the deviations. Lastly, the Plan specifies the contingent actions that could be implemented in response to the deviations. Because each response focuses on a discrete portion of the perched aquifer and contaminant plume, each response action has a different set of expected conditions, and therefore differing impacts from deviations to the site and technology expectations. As a result, the contingent actions are identified for each response action and potential deviation including specific constituents, location, and conditions. If deviations are encountered that impact the ability of the response action to meet performance objectives, the contingent actions will be focused on ensuring the response action can meet the performance objective. Contingent actions may be implemented as interim actions (ISMs/removal actions) in accordance with the Record of Decision, Interagency Agreement, and Hazardous Waste Permit‐50284, if warranted by the specific circumstances. For deviations to site characterization expected conditions, the contingent action will focus on determination of the source of the deviation, determination of the appropriate response, and evaluation of additional work to be completed. However, if the deviation to characterization impacts the performance of the response action, the contingent action will again focus on ensuring performance objectives can be met. Early source term removals and cleanup actions have been implemented to protect the Ogallala Aquifer. Because of these actions and based on modeling results, the expected conditions in the Ogallala Aquifer are that constituents of concern will not be detected above the Groundwater Protection Standards (GWPSs) nor will they reach potential points of exposure above the GWPS. The primary deviation of concern for the Ogallala is if constituents are detected in the Ogallala Aquifer near or above GWPSs. If it occurs, this change in expected conditions would require further evaluation of site and contaminant characteristics to determine an appropriate course of action. The evaluation would include additional monitoring, source identification, implementation of interim protective measures (if necessary), and delineation of extent. These evaluations are necessary to determine an appropriate response action for the Ogallala. The primary goal of the Plan is to provide for the continued protection of the Ogallala Aquifer and the health of its consumers. In recognition, this Plan presents a flexible and rational approach for making future decisions associated with confirming the change in perched and Ogallala aquifer conditions and identifying a response (technical activities, changes to response actions, regulatory oversight, and public involvement).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Application and performance of the novel Elcomat 5000 autocollimator in slope-measuring profilometry of beamline optics

Autocollimators are used in profilometers for the precise form measurement of beam-shaping optics for synchrotron light sources and x-ray free-electron lasers. This application requires using an aperture stop, typically 2.5 mm in diameter, which limits the footprint of the autocollimator’s measuring beam on the optics to achieve a sufficiently high lateral resolution. Central to the development of profilometry has been the availability of commercial autocollimators, such as the Elcomat 3000 from Möller–Wedel Optical. Although autocollimators are generally not designed for use with small apertures, this device has proven capable and has become the de facto standard. Now that it has been replaced by the Elcomat 5000, we evaluate the performance of several autocollimators of this type at small apertures, including the characterization of instrument transfer functions with a chirped height profile. We demonstrate that the Elcomat 5000 is capable of repeatable angle measurements with a standard deviation of 0.014 arcsec at an aperture diameter of 1.6 mm, whereas the Elcomat 3000 achieves 0.03 arcsec at 2.5 mm, comparing models with modified reticle designs. Here, we also investigate the influence of optical aberrations of the autocollimator’s objective and their changes with the path length to the surface under test. We characterize the sensitivity of the angle measurement to changes in environmental parameters, in particular, barometric pressure. These efforts are aimed at approaching fundamental limits in the characterization of the shape of optical surfaces with autocollimator-based profilometers so that these are ready for characterizing the next generation of synchrotron and XFEL beamline optics.

angle metrology↗
DOE OSTI2025

Observed and Imputed Volumetric Soil Water Content Timeseries for the New Mexico Elevation Gradient

Reliable soil water content (SWC) data are essential for understanding dryland ecosystem dynamics, but high-frequency SWC sensors often fail, creating gaps in critical datasets. To address this, we developed a Bayesian mixture model that imputes missing SWC using both linear interpolation and an ecosystem water balance model (SOILWAT2), tested across six AmeriFlux eddy covariance tower sites in the New Mexico Elevation Gradient, demonstrating its effectiveness in reconstructing SWC patterns while providing insights into the factors driving SWC variability. Daily volumetric soil water content (SWC) data are provided as csv-formatted spreadsheets for the six AmeriFlux sites (US-Seg, US-Ses, US-Wjs, US-Mpi, US-Vcp, and US-Vcs). For each site there is an observed SWC file (site_SWC_gapfill.csv) and a file that contains imputed SWC (imputed_SWC_site.csv). The observed SWC files contain temperature corrected sensor values, tower precipitation data, as well as outputs from SOILWAT2 simulations that were used to impute SWC. The imputed files contain the original observed SWC values and the imputed missing SWC values. When SWC was missing from the original data, the missing value was imputed based on the Bayesian imputation mixture model. The posterior mean of all imputed values is reported as "mean_X". When the observed SWC was NOT missing, mean_X = observed SWC value (original data). The standard deviation, 2.5th percentile and the 97.5th percentile for the imputed values are also reported in the imputed files. There are readme text files for each file type explaining the contents of each column.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Measurement of simplified template cross sections of the Higgs boson produced in association with W or Z bosons in the H → b b ¯ decay channel in proton-proton collisions at s = 13 TeV

Differential cross sections are measured for the standard model Higgs boson produced in association with vector bosons (W, Z) and decaying to a pair of b quarks. Measurements are performed within the framework of the simplified template cross sections. The analysis relies on the leptonic decays of the W and Z bosons, resulting in final states with 0, 1, or 2 electrons or muons. The Higgs boson candidates are either reconstructed from pairs of resolved b-tagged jets, or from single large-radius jets containing the particles arising from two b quarks. Proton-proton collision data at $\sqrt{s}$ =13 TeV, collected by the CMS experiment in 2016–2018 and corresponding to a total integrated luminosity of 138 fb -1 , are analyzed. The inclusive signal strength, defined as the product of the observed production cross section and branching fraction relative to the standard model expectation, combining all analysis categories, is found to be μ = $1.15^{+0.22}_{-0.20}$. This corresponds to an observed (expected) significance of 6.3 (5.6) standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Mass Spectrometer Transient Analysis

This software implements a complete preprocessing pipeline for transient mass spectrometry (MS) data collected during TAP (Temporal Analysis of Products) experiments. It is designed to extract chemically meaningful fluxes from overlapping ion signals by applying a calibrated defragmentation matrix and solving the resulting linear system using non-negative least squares (NNLS) regression. The core script, preprocess_mass_spec.py, performs the following operations: Gain correction: Applies amplifier gain scalars derived from inert-packed calibration pulses to normalize signal intensities across AMUs and acquisition settings. Background subtraction: Removes experiment baselines using user-defined time windows, ensuring compatibility with slow-diffusing species and preventing negative values that would interfere with NNLS. Options to subtract before and after defragmentation. Defragmentation: Constructs a fragmentation matrix A from zeroth moments of calibration pulses (equal molar gas:inert mixtures) and solves Ax=b at each time point, where b is the raw MS signal and x is the estimated species flux. The matrix is normalized to inert signals and accounts for instrument-specific fragmentation behavior. Pulse-mode handling: Supports both averaged and individual pulse modes, enabling statistical treatment of fluxes and calculation of standard deviations. Integration and output: Computes zeroth moments (integrated fluxes) and exports time-resolved and integrated data in CSV format, suitable for downstream kinetic modeling. The software is validated using both virtual TAP simulations (VTAP) and experimental data from propane dehydrogenation (PDH) on CrOx/Al2O3 catalysts. It preserves temporal resolution by applying NNLS point-by-point across the pulse duration (typically 6,000+ time slices per pulse), leveraging the linear superposition principle to reconstruct full flux profiles. The defragmented outputs are compatible with kinetic extraction methods such as the G and Y procedures, which are used to derive rate–concentration relationships from TAP data. The details of these validations are discussed in detail in the supporting manuscript and supporting information. Example data and output files are also included. The methodology is robust to experimental noise and drift, with calibration protocols that account for pulse size effects, MS aging, and inert gas normalization. The software is modular, reproducible, and tailored for high-throughput TAP-MS workflows in catalysis research.

Kristy, Stephen [Idaho National Laboratory (INL), ↗
DOE OSTI2025

Differential cross section measurements for the production of top quark pairs and of additional jets using dilepton events from pp collisions at $\sqrt{s}$ = 13 TeV

Differential cross sections for top quark pair ($\textrm{t}\overline{\textrm{t}}$) production are measured in proton-proton collisions at a center-of-mass energy of 13 TeV using a sample of events containing two oppositely charged leptons. The data were recorded with the CMS detector at the CERN Large Hadron Collider and correspond to an integrated luminosity of 138 fb −1 . The differential cross sections are measured as functions of kinematic observables of the $\textrm{t}\overline{\textrm{t}}$ system, the top quark and antiquark and their decay products, as well as of the number of additional jets in the event. The results are presented as functions of up to three variables and are corrected to the parton and particle levels. When compared to standard model predictions based on quantum chromodynamics at different levels of accuracy, it is found that the calculations do not always describe the observed data. The deviations are found to be largest for the multi-differential cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Machine learning framework for predicting uranium enrichments from M400 CZT gamma spectra

A machine learning framework was developed for predicting uranium enrichments from M400 CZT gamma spectra. This framework leverages the availability of a large amount of measured M400 gamma spectra and uses a recently updated version of Gamma Detector Response and Analysis Software (GADRAS) for gamma spectrum analysis and generation. It also leverages the existing machine learning modules in Python for gamma spectrum data processing, curation, model training, benchmarking, and optimization of the deep machine learning models. The framework is used to develop a deep learning model to analyze gamma spectra from a set of U 3 O 8 samples with enrichments ranging from 0.31 to 93.17% and UF 6 cylinders with enrichments ranging from 0.2 to 4.95%, and the model performance is tested using a set of measured spectra and the respective declared enrichment values. Results show that the model can correctly classify 99.35% of the U 3 O 8 sample enrichments, and can predict the samples’ enrichments within an average absolute error of 0.099% (in percentage points of enrichment). For the UF 6 cylinders, the average absolute error was approximately 0.03%, with an accuracy of 98% in classifying discrete enrichment values of UF 6 samples. Finally, the results also show that the model has performed significantly better in terms of predicting enrichments in UF 6 cylinders based on measured gamma spectra than the GEM code, with a standard deviation (of the relative errors) of 2.23% (compared with the 11.51% value for the GEM code) based on results from a set of test data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Measurement of the VH,H → ττ process with the ATLAS detector at 13 TeV

A measurement of the Standard Model Higgs boson produced in association with a W or Z boson and decaying into a pair of τ-leptons is presented. This search is based on proton-proton collision data collected at $\sqrt{s}$ = 13 TeV by the ATLAS experiment at the LHC corresponding to an integrated luminosity of 140 fb -1 . For the Higgs boson candidate, only final states with at least one τ-lepton decaying hadronically (τ→hadrons+ν τ ) are considered. For the vector bosons, only leptonic decay channels are considered: Z→ℓℓ and W→ℓν ℓ , with ℓ=e,μ. An excess of events over the expected background is found with an observed (expected) significance of 4.2 (3.6) standard deviations, providing evidence of the Higgs boson produced in association with a vector boson and decaying into a pair of τ-leptons. The ratio of the measured cross-section to the Standard Model prediction is μ$_{VH}^{ττ}$=1.28$_{-0.29}^{+0.30}$(stat.)$_{-0.21}^{+0.25}$(syst.). This result represents the most accurate measurement of the VH(ττ) process achieved to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗