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  1. Search for emerging jets in pp collisions at $$\sqrt{s} = 13.6$$ TeV with the ATLAS experiment

    A search for emerging jets is presented using 51.8 fb−1 of proton–proton collision data at $$\sqrt{s} = 13.6$$ TeV, collected by the ATLAS experiment during 2022 and 2023. The search explores a hypothetical dark sector featuring ‘dark quarks’ that are charged under a confining gauge group and couple to the standard model (SM) via a new mediator particle. These dark quarks undergo showering and hadronisation within the dark sector, forming long-lived dark mesons that decay back into SM particles. This results in jets that contain multiple displaced vertices known as emerging jets. The analysis targets events with pairs of emergingmore » jets, produced either through a vector mediator, Z′, in the s-channel, or a scalar mediator, Φ, in the t-channel. No significant excess over the SM background is observed. Assuming a dark pion proper decay length between 5 mm and 50 mm, Z′ mediator masses between 600 GeV and 2550 GeV are excluded for quark and dark quark coupling values of 0.01 and 0.1, respectively. For a quark dark-quark coupling of 0.1, Φ mediator masses between 600 GeV and 1375 GeV are excluded. These results represent the first direct search targeting emerging jet pair production via a Z′ mediator, as well as the first study of emerging jet production mediated by a scalar particle exchanged in the t-channel.« less
  2. The impact of non-local parallel electron transport on plasma-impurity reaction rates in tokamak scrape-off layer plasmas

    Abstract Plasma-impurity reaction rates are a crucial part of modelling tokamak scrape-off layer (SOL) plasmas. To avoid calculating the full set of rates for the large number of important processes involved, a set of effective rates are typically derived which assume Maxwellian electrons. However, non-local parallel electron transport may result in non-Maxwellian electrons, particularly close to divertor targets. Here, the validity of using Maxwellian-averaged rates in this context is investigated by computing the full set of rate equations for a fixed plasma background from kinetic and fluid SOL simulations. We consider the effect of the electron distribution as well asmore » the impact of the electron transport model on plasma profiles. Results are presented for lithium, beryllium, carbon, nitrogen, neon and argon. It is found that electron distributions with enhanced high-energy tails can result in significant modifications to the ionisation balance and radiative power loss rates from excitation, on the order of 50%–75% for the latter. Fluid electron models with Spitzer-Härm or flux-limited Spitzer-Härm thermal conductivity, combined with Maxwellian electrons for rate calculations, can increase or decrease this error, depending on the impurity species and plasma conditions. Based on these results, we also discuss some approaches to experimentally observing non-local electron transport in SOL plasmas.« less
  3. Evolution of Mass Spectrometers for High m/z Biological Ion Formation, Transmission, Analysis and Detection: A Personal Perspective

    Mass spectrometry (MS) has become an essential tool in virtually all academic, pharmaceutical, and biopharmaceutical analytical laboratories. The specialized and bespoke area of MS research and application of high m/z ion (>m/z 6000 and high mass, >150 kDa) formation, transmission, analysis, and detection is a relatively new area of focus for MS that has seen dramatic acceleration in interest over the last two decades. Herein we delve into this exciting aspect of MS, discussing how MS instrumentation has been refined and evolved for native-MS analysis. We cover the early groundbreaking experiments showing high m/z ion formation, transmission, and preservation ofmore » protein structure in the gas phase. Additionally, we discuss specific instrument optimizations and modifications that have advanced high m/z ion generation, transmission, analysis, and detection, contributing to the research area known as gas-phase structural biology. Native-MS sample introduction methods, emerging technologies, and future perspectives are also examined. Finally, we share personal opinions, observations, and experiences that are new to the community or previously unpublished.« less
  4. Utilizing Quantum Cascade Lasers for Ultranarrow Velocity Resolution and Quantum-State Selectivity in Molecular Beam Scattering and Spectroscopy

    Here, we demonstrate the capability of a narrow linewidth quantum cascade laser (QCL) to selectively excite a very narrow velocity range of nitric oxide (σ ≤ 7(3) m/s) with a pure ro-vibrational quantum state. By implementing a counter-propagating geometry, the molecules are selectively excited according to the Doppler shift of the ro-vibrational transition frequency such that the velocity width associated with the excited molecules depends only on the QCL linewidth. We demonstrate a velocity distribution limited by the effective linewidth of our free-running QCL (Γ = 3.2 MHz). Our development provides a cost-effective, flexible approach to resolve quantum-state selective chemicalmore » dynamics with excellent velocity resolution in a wide variety of molecules with infrared-active transitions. This technique has been formulated to provide ultrahigh collisional energy resolution in molecular beams to delineate final quantum-state product pairs in studies of molecular collisions.« less
  5. Advancing the Prediction of MS/MS Spectra Using Machine Learning

    Tandem mass spectrometry (MS/MS) is an important tool for the identification of small molecules and metabolites where resultant spectra are most commonly identified by matching them with spectra in MS/MS reference libraries. While popular, this strategy is limited by the contents of existing reference libraries. In response to this limitation, various methods are being developed for the in silico generation of spectra to augment existing libraries. Recently, machine learning and deep learning techniques have been applied to predict spectra with greater speed and accuracy. Here, in this work, we investigate the challenges these algorithms face in achieving fast and accuratemore » predictions on a wide range of small molecules. The challenges are often amplified by the use of generic machine learning benchmarking tactics, which lead to misleading accuracy scores. Curating data sets, only predicting spectra for sufficiently high collision energies, and working more closely with experimental mass spectrometrists are recommended strategies to improve overall prediction accuracy in this nuanced field.« less
  6. Signatures of Non-universal Quantum Dynamics of Ultracold Chemical Reactions of Polar Alkali Dimer Molecules with Alkali Metal Atoms: Li(2S) + NaLi(a3Σ+) → Na(2S) + Li2(a3Σu+)

    Ultracold chemical reactions of weakly bound triplet-state alkali metal dimer molecules have recently attracted much experimental interest. Here we perform rigorous quantum scattering calculations with a new ab initio potential energy surface to explore the chemical reaction of spin-polarized NaLi(a3Σ+) and Li(2S) to form Li2(a3Σu+) and Na(2S). The reaction is exothermic and proceeds readily at ultralow temperatures. Significantly, we observe strong sensitivity of the total reaction rate to small variations of the three-body part of the Li2Na interaction at short range, which we attribute to a relatively small number of open Li2(a3Σu+) product channels populated in the reaction. This providesmore » the first signature of highly non-universal dynamics seen in rigorous quantum reactive scattering calculations of an ultracold exothermic insertion reaction involving a polar alkali dimer molecule, opening up the possibility of probing microscopic interactions in atom+molecule collision complexes via ultracold reactive scattering experiments.« less
  7. O2 Oxidation and Sublimation Kinetics of Single Silicon Nanoparticles at 1200–2050 K: Variation of Reaction Rates, Evolution of Structural and Optical Properties, and the Active-to-Passive Transition

    Sublimation and O2 etching kinetics for a series of individual silicon (Si) nanoparticles (NPs) were studied for NP temperatures (TNP) from 1200 to 2050 K, using a single NP mass spectrometry technique. Sublimation was significant for TNP > 1700 K, with rates reasonably well fit to Arrhenius kinetics, but evolving, particularly during initial heating. O2 etching efficiencies varied from NP-to-NP and with changing TNP, but also evolved dramatically over time. For TNP ≤ 1500 K, NPs were observed to passivate after losing 30 to 50% of the initial NP mass. At higher TNP, etching efficiency decreased over time, but nevermore » passivated. Interestingly, bulk Si passivation has not been observed for the range of TNP and O2 pressures used here, and a model was developed to test the effects of several NP-specific mechanistic parameters on both the initial and time-dependent etching behavior. As a result, the optical properties of the hot NPs were also found to evolve as the NPs etched, particularly during the initial fast mass loss, and correlations between emission intensities and etching kinetics were examined.« less
  8. An explicitly solvable energy-conserving algorithm for pitch-angle scattering in magnetized plasmas

    In this work, we develop an Explicitly Solvable Energy-Conserving (ESEC) algorithm for the Stochastic Differential Equation (SDE) describing the pitch-angle scattering process in magnetized plasmas. The Cayley transform is used to calculate both the deterministic gyromotion and stochastic scattering, affording the algorithm to be explicitly solvable and exactly energy conserving. An unusual property of the SDE for pitch-angle scattering is that its coefficients diverge at the zero velocity and do not satisfy the global Lipschitz condition. Consequently, when standard numerical methods, such as the Euler-Maruyama (EM), are applied, numerical convergence is difficult to establish. For the proposed ESEC algorithm, itsmore » energy-preserving property enables us to overcome this obstacle. We rigorously prove that the ESEC algorithm is order 1/2 strongly convergent. This result is confirmed by detailed numerical studies. For the case of pitch-angle scattering in a magnetized plasma with a constant magnetic field, the numerical solution is benchmarked against the analytical solution, and excellent agreements are found.« less
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