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DOE OSTI2020

Test of lepton universality with $ {\Lambda}_b^0\to {pK}^{-}{\mathrm{\ell}}^{+}{\mathrm{\ell}}^{-}$ decays

The ratio of branching fractions of the decays $ {\Lambda}_b^0 $ → pK - e + e - and $ {\Lambda}_b^0 $ → pK - μ + μ - , $ {R}_{pK}^{-1} $ , is measured for the first time using proton-proton collision data corresponding to an integrated luminosity of 4 . 7 fb - 1 recorded with the LHCb experiment at center-of-mass energies of 7, 8 and 13 TeV. In the dilepton mass-squared range 0 . 1 < q 2 < 6 . 0 GeV 2 /c 4 and the pK - mass range m ( pK - ) < 2600 MeV /c 2 , the ratio of branching fractions is measured to be $ {R}_{pK}^{-1}={1.17}_{-0.16}^{+0.18}\pm 0.07 $ , where the first uncertainty is statistical and the second systematic. This is the first test of lepton universality with b baryons and the first observation of the decay $ {\Lambda}_b^0 $ → pK - e + e - .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Exploring small-angle emissions in charm quark jets in proton-proton collisions at $\sqrt{s}=5.02$ TeV

A measurement of the angular structure of inclusive jets and those containing a prompt D 0 meson in proton-proton collisions at the LHC at a center-of-mass energy of 5.02 TeV is presented. The data corresponding to an integrated luminosity of 301 pb −1 were collected by the CMS experiment in 2017. Two jet grooming algorithms, late-k T and soft drop, are used to study the intrajet radiation pattern using iterative Cambridge-Aachen declustering. The splitting-angle distributions of jets with transverse momentum (p T ) of around 100 GeV, obtained with these two algorithms, show that there is a shift of the distribution for jets containing a prompt D 0 meson with respect to inclusive jets. The suppression of emissions at small angles observed in the late-k T grooming approach is consistent with the dead-cone effect, whereas the similar suppression for splittings selected with the soft-drop algorithm appears to be induced by gluon splitting to charm quark-antiquark pairs at large angles. The measured distributions are corrected to the particle level and can be used to constrain model predictions for the substructure of high-p T charm quark jets.

Charm Physics↗

DOE OSTI2026

Search for the pair production of long-lived supersymmetric partners of the tau lepton in proton-proton collisions at $\sqrt{s}=13$ TeV

Gauge-mediated supersymmetry-breaking models provide a strong motivation to search for a supersymmetric partner of the tau lepton (stau) with a macroscopic lifetime. Long-lived stau decays produce tau leptons that are displaced from the primary proton-proton interaction vertex, leading to an unconventional signature. This paper presents a search for the direct production of long-lived staus decaying within the CMS tracker volume in proton-proton collisions at $\sqrt{s}=13$ TeV, performed for the first time with an identification algorithm based on a graph neural network dedicated to displaced tau leptons. The data sample, corresponding to an integrated luminosity of 138 fb −1 , was recorded with the CMS experiment at the CERN LHC between 2016 and 2018. This search excludes, at 95% confidence level, stau masses, m~ τ , in the 126–260 (90–425) GeV range for a proper decay length of 50 mm in the maximally mixed (mass-degenerate) scenario, while for m~ τ = 200 GeV, stau proper decay lengths are excluded in the range 21–94 (6–333) mm. These results improve the exclusion limits compared to previous searches, and extend the parameter space explored in the context of supersymmetry.

Hadron-Hadron Scattering↗

DOE OSTI2025

Measurement of light-by-light scattering and the Breit-Wheeler process, and search for axion-like particles in ultraperipheral PbPb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

Measurements of light-by-light scattering (LbL, γγ → γγ) and the Breit-Wheeler process (BW, γγ → e + e − ) are reported in ultraperipheral PbPb collisions at a centre-of-mass energy per nucleon pair of 5.02 TeV. The data sample, corresponding to an integrated luminosity of 1.7 nb −1 , was collected by the CMS experiment at the CERN LHC in 2018. Events with an exclusively produced γγ or e + e − pair with invariant masses m γγ,ee > 5 GeV, along with other fiducial criteria, are selected. The measured BW fiducial production cross section, σ fid (γγ → e + e − ) = 263.5 ± 1.8(stat) ± 17.8(syst) μb, as well as the differential distributions for various kinematic observables, are in agreement with leading-order quantum electrodynamics predictions complemented with final-state photon radiation. The measured differential BW cross sections allow discrimination between different theoretical descriptions of the photon flux of the lead ion. In the LbL final state, 26 exclusive diphoton candidate events are observed compared with 12.0 ± 2.9 expected for the background. Combined with previous results, the observed significance of the LbL signal with respect to the background-only hypothesis is above five standard deviations. The measured fiducial LbL scattering cross section, σ fid (γγ → γγ) = 107 ± 24(stat) ± 13(syst) nb, is in agreement with next- to-leading-order predictions. Limits on the production of axion-like particles coupled to photons are set over the mass range 5–100 GeV, including the most stringent limits to date in the range of 5–10 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Study of Z boson plus jets events using variables sensitive to double-parton scattering in pp collisions at 13 TeV

Double-parton scattering is investigated using events with a Z boson and jets. The Z boson is reconstructed using only the dimuon channel. The measurements are performed with proton-proton collision data recorded by the CMS experiment at the LHC at s√ = 13 TeV, corresponding to an integrated luminosity of 35.9 fb -1 collected in the year 2016. Differential cross sections of Z+ ≥1 jet and Z+ ≥2 jets are measured with transverse momentum of the jets above 20 GeV and pseudorapidity |η| < 2.4. Several distributions with sensitivity to double-parton scattering effects are measured as functions of the angle and the transverse momentum imbalance between the Z boson and the jets. The measured distributions are compared with predictions from several event generators with different hadronization models and different parameter settings for multiparton interactions. The measured distributions show a dependence on the hadronization and multiparton interaction simulation parameters, and are important input for future improvements of the simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Search for new non-resonant phenomena in high-mass dilepton final states with the ATLAS detector

A search for new physics with non-resonant signals in dielectron and dimuon final states in the mass range above 2 TeV is presented. This is the first search for non-resonant signals in dilepton final states at the LHC to use a background estimate from the data. The data, corresponding to an integrated luminosity of 139 fb –1 , were recorded by the ATLAS experiment in proton-proton collisions at a center-of-mass energy of √s = 13 TeV during Run 2 of the Large Hadron Collider. The benchmark signal signature is a two-quark and two-lepton contact interaction, which would enhance the dilepton event rate at the TeV mass scale. To model the contribution from background processes a functional form is fit to the dilepton invariant-mass spectra in data in a mass region below the region of interest. It is then extrapolated to a high-mass signal region to obtain the expected background there. No significant deviation from the expected background is observed in the data. Upper limits at 95% CL on the number of events and the visible cross-section times branching fraction for processes involving new physics are provided. Observed (expected) 95% CL lower limits on the contact interaction energy scale reach 35.8 (37.6) TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Dependence of inclusive jet production on the anti-k$_{T}$ distance parameter in pp collisions at $ \sqrt{\mathrm{s}} $ = 13 TeV

The dependence of inclusive jet production in proton-proton collisions with a center-of-mass energy of 13 TeV on the distance parameter R of the anti-k$_{T}$ algorithm is studied using data corresponding to integrated luminosities up to 35.9 fb$^{−1}$ collected by the CMS experiment in 2016. The ratios of the inclusive cross sections as functions of transverse momentum p$_{T}$ and rapidity y, for R in the range 0.1 to 1.2 to those using R = 0.4 are presented in the region 84 < p$_{T}$< 1588 GeV and |y|< 2.0. The results are compared to calculations at leading and next-to-leading order in the strong coupling constant using different parton shower models. The variation of the ratio of cross sections with R is well described by calculations including a parton shower model, but not by a leading-order quantum chromodynamics calculation including nonperturbative effects. The agreement between the data and the theoretical predictions for the ratios of cross sections is significantly improved when next-to-leading order calculations with nonperturbative effects are used.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Measurement of the inclusive and differential $t\overline{t}γ$ cross sections in the single-lepton channel and EFT interpretation at $\sqrt{s}$ = 13 TeV

The production cross section of a top quark pair in association with a photon is measured in proton-proton collisions at a center-of-mass energy of 13 TeV. The data set, corresponding to an integrated luminosity of 137 fb -1 , was recorded by the CMS experiment during the 2016–2018 data taking of the LHC. The measurements are performed in a fiducial volume defined at the particle level. Events with an isolated, highly energetic lepton, at least three jets from the hadronization of quarks, among which at least one is b tagged, and one isolated photon are selected. The inclusive fiducial $t\overline{t}γ$ cross section, for a photon with transverse momentum greater than 20 GeV and pseudorapidity |η| < 1.4442, is measured to be 798 ± 7(stat) ± 48(syst) fb, in good agreement with the prediction from the standard model at next-to-leading order in quantum chromodynamics. The differential cross sections are also measured as a function of several kinematic observables and interpreted in the framework of the standard model effective field theory (EFT), leading to the most stringent direct limits to date on anomalous electromagnetic dipole moment interactions of the top quark and the photon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Search for resonances in events with photon and jet final states in proton-proton collisions at $ \sqrt{s} $ = 13 TeV

A search for resonances in events with the γ+jet final state has been performed using proton-proton collision data collected at $\sqrt s$ = 13 TeV by the CMS experiment at the LHC. The total data analyzed correspond to an integrated luminosity of 138 fb –1 . Models of excited quarks and quantum black holes are considered. Using a wide-jet reconstruction for the candidate jet, the γ+jet invariant mass spectrum measured in data is examined for the presence of resonances over the standard model continuum background. The background is estimated by fitting this mass distribution with a functional form. The data exhibit no statistically significant deviations from the expected standard model background. Exclusion limits at 95% confidence level on the resonance mass and other parameters are set. Excited light-flavor quarks (excited bottom quarks) are excluded up to a mass of 6.0 (3.8) TeV. Quantum black hole production is excluded for masses up to 7.5 (5.2) TeV in the Arkani-Hamed-Dimopoulos-Dvali (Randall-Sundrum) model. These lower mass bounds are the most stringent to date among those obtained in the γ+jet final state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Search for the lepton-flavor-violating τ − → e ∓ ℓ ± ℓ − decays at Belle II

We present the result of a search for the charged-lepton-flavor violating decays τ − → e ∓ ℓ ± ℓ − , where ℓ is a muon or an electron, using a data sample with an integrated luminosity of 428 fb −1 recorded by the Belle II experiment at the SuperKEKB e + e − collider. The selection of e + e − → τ + τ − events containing a signal candidate is based on an inclusive-tagging reconstruction and on a boosted decision tree to suppress background. Upper limits on the branching fractions between 1.3 and 2.5 × 10 −8 are set at the 90% confidence level. These results are the most stringent bounds to date for four of the modes.

flavour physics↗

DOE OSTI2026

Host analysis-guided selection and targeted engineering (HASTE) of Lipomyces tetrasporus for the conversion of CO2-derived feedstocks

Efficient and cost-competitive bioproduction calls for utilizing CO2-derived feedstocks, such as products from electro-reduction of CO2 and hydrolysate from lignocellulosic biomass. However, efficiently using all their carbon components, including acetate, glucose, and xylose, remains a challenge. Here, we characterize Lipomyces tetrasporus, a novel, robust yeast strain capable of effectively assimilating these carbon sources. We used an integrated systems biology approach combining ¹³C metabolic flux analysis, dynamic labeling experiments, and RNA sequencing. We conducted the first metabolic flux analysis for glucose, xylose, and acetate catabolism in this species. Dynamic labeling revealed a highly active TCA cycle during acetate metabolism, evidenced by rapid citrate and malate accumulation. The strain demonstrated strong NADH/NADPH production and acetyl-CoA synthase activity. Using insights and gene targets from this analysis, we engineered L. tetrasporus for malate production. The engineered strain produced 7.5 g/L malic acid (0.25 g/g yield) in shake flasks with glucose-acetate media and 28.8 g/L malic acid at a yield of 0.20 g/g in fed-batch mode with corn-stover hydrolysate. Together, these insights and rational strain engineering establish L. tetrasporus as a versatile, Crabtree-negative platform that is an energy-CO2-bioproduction nexus for channeling CO2 carbon into value-added bioproducts.

Xiao, Zhengyang↗

DOE OSTI2025

3D mesh regularization within an ALE code using a weighted line sweeping method

The Lagrangian formalism is widely used to simulate hydrodynamic responses in complex engineering applications, particularly those involving strong shock waves. However, as the mesh moves with the fluid, it can become highly distorted, requiring a regularization step. This involves constructing a new grid and remapping conservative quantities onto it to restore mesh quality. This work introduces a regularization method for block-structured meshes within a 3D ALE (Arbitrary Lagrangian-Eulerian) code. The proposed approach prevents mesh tangling while preserving the anisotropic features of the initial Lagrangian mesh. This regularization technique incorporates aspect ratio-based weights to control mesh smoothing. Unlike uniform rezoning techniques, this weighted approach maintains proximity to the Lagrangian mesh while improving mesh quality. Here, the method effectively handles concave geometries by mitigating the grid attraction phenomenon, which typically leads to mesh concentration along concave edges. Numerical experiments demonstrate its efficiency in regularizing severely deformed meshes, and its integration within the ALE framework is validated on challenging hydrodynamic test cases, including the triple point problem.

42 ENGINEERING↗

DOE OSTI2022

Low-synch Gram–Schmidt with delayed reorthogonalization for Krylov solvers

The parallel strong-scaling of iterative methods is often determined by the number of global reductions at each iteration. Low-synch Gram-Schmidt algorithms are applied here to the Arnoldi algorithm to reduce the number of global reductions and therefore to improve the parallel strong-scaling of iterative solvers for nonsymmetric matrices such as the GMRES and the Krylov-Schur iterative methods. In the Arnoldi context, the factorization is "left-looking" and processes one column at a time. Among the methods for generating an orthogonal basis for the Arnoldi algorithm, the classical Gram-Schmidt algorithm, with reorthogonalization (CGS2) requires three global reductions per iteration. A new variant of CGS2 that requires only one reduction per iteration is presented and applied to the Arnoldi algorithm. Delayed CGS2 (DCGS2) employs the minimum number of global reductions per iteration (one) for a one-column at-a-time algorithm. The main idea behind the new algorithm is to group global reductions by rearranging the order of operations. DCGS2 must be carefully integrated into an Arnoldi expansion or a GMRES solver. Numerical stability experiments assess robustness for Krylov-Schur eigenvalue computations. Performance experiments on the ORNL Summit supercomputer then establish the superiority of DCGS2 over CGS2.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Search for associated production of a Z boson with an invisibly decaying Higgs boson or dark matter candidates at s = 13 TeV with the ATLAS detector

A search for invisible decays of the Higgs boson as well as searches for dark matter candidates, produced together with a leptonically decaying Z boson, are presented. The analysis is performed using proton-proton collisions at a centre-of-mass energy of 13 TeV, delivered by the LHC, corresponding to an integrated luminosity of 139 fb -1 and recorded by the ATLAS experiment. Assuming Standard Model cross-sections for ZH production, the observed (expected) upper limit on the branching ratio of the Higgs boson to invisible particles is found to be 19% (19%) at the 95% confidence level. Exclusion limits are also set for simplified dark matter models and two-Higgs-doublet models with an additional pseudoscalar mediator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Search for the Higgs boson decay to a pair of electrons in proton-proton collisions at s = 13 TeV

A search is presented for the Higgs boson decay to a pair of electrons (Image 1) in proton-proton collisions at s = 13 TeV . The data set was collected with the CMS experiment at the LHC between 2016 and 2018, corresponding to an integrated luminosity of 138 fb - 1 . The analysis uses event categories targeting Higgs boson production via gluon fusion and vector boson fusion. The observed upper limit on the Higgs boson branching fraction to an electron pair is 3.0 × 10 - 4 ( 3.0 × 10 - 4 expected) at the 95% confidence level, which is the most stringent limit on this branching fraction to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Formation of secondary organic aerosol from wildfire emissions enhanced by long-time ageing

Wildfire smoke, consisting primarily of organic aerosols, has profound impacts on air quality, climate and human health. Wildfire organic aerosol evolves over long-time photochemical oxidation due to the formation and ageing of secondary organic aerosol, which substantially changes its magnitude and properties. However, there are large uncertainties in the long-time ageing of wildfire organic aerosol because of the distinct ageing behaviours of the complex organic emissions. Here we developed an oxidation model that simulates the ageing of wildfire organic emissions in the full volatility range on a precursor level and integrated insights from single-species ageing and wildfire emissions ageing experiments and field plume observations to constrain the long-time ageing of wildfire organic aerosol. The model captured the enhancement of organic aerosol mass (2–8 times) and oxygen-to-carbon ratio (1–4 times) in the wildfire ageing experiments. It also reconciled a long-standing discrepancy between field and laboratory observations of the magnitude of secondary organic aerosol formation. The model indicated large emissions-driven variations in precursor contributions to secondary organic aerosol, which further evolve with long-time ageing. In conclusion, the estimated global wildfire secondary organic aerosol production (139 ± 34 Tg per year) was much higher than previous studies omitting or under-constraining long-time ageing.

58 GEOSCIENCES↗

DOE OSTI2026

Roadmap for transforming heterogeneous catalysis with artificial intelligence

Artificial intelligence (AI) is poised to transform heterogeneous catalysis, opening avenues for catalytic materials discovery. By uncovering intricate patterns in high-dimensional data, AI has been reshaping our pursuit of sustainable catalytic processes across the energy, environmental and chemical sectors. This promise, however, hinges on overcoming fundamental barriers, including limitations in data availability and quality, challenges in the generalizability and interpretability of data-augmented decisions, and the persistent gap between in silico predictions and experiments. Furthermore, we outline a forward-looking roadmap for deeply integrating AI into heterogeneous catalysis with an AI-ready data ecosystem, multimodal foundation models, and ultimately autonomous laboratories to accelerate the development of next-generation catalytic technologies via AI-empowered human–machine collaboration.

Computational methods↗

DOE OSTI2021

Machine learning on neutron and x-ray scattering and spectroscopies

Neutron and x-ray scattering represent two classes of state-of-the-art materials characterization techniques that measure materials structural and dynamical properties with high precision. These techniques play critical roles in understanding a wide variety of materials systems from catalysts to polymers, nanomaterials to macromolecules, and energy materials to quantum materials. In recent years, neutron and x-ray scattering have received a significant boost due to the development and increased application of machine learning to materials problems. This article reviews the recent progress in applying machine learning techniques to augment various neutron and x-ray techniques, including neutron scattering, x-ray absorption, x-ray scattering, and photoemission. We highlight the integration of machine learning methods into the typical workflow of scattering experiments, focusing on problems that challenge traditional analysis approaches but are addressable through machine learning, including leveraging the knowledge of simple materials to model more complicated systems, learning with limited data or incomplete labels, identifying meaningful spectra and materials representations, mitigating spectral noise, and others. We present an outlook on a few emerging roles machine learning may play in broad types of scattering and spectroscopic problems in the foreseeable future.

Chen, Zhantao↗