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DOE OSTI2022

Hedging direct simulation Monte Carlo bets via event splitting

We propose a new scheme for simulation of collisions with multiple possible outcomes in variable-weight DSMC computations. The scheme is applied to a 0-D ionization rate coefficient computation, and 1-D electrical breakdown simulation. We show that the scheme offers a significant (up to an order of magnitude) improvement in the level of stochastic noise over the usual acceptance-rejection algorithm, even when controlling for the slight additional computational costs. Furthermore, the benefits and performance of the scheme are analyzed in detail, and possible extensions are proposed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Spatiotemporal Variability in Wind Turbine Blade Leading Edge Erosion

Wind turbine blade leading edge erosion (LEE) reduces energy production and increases wind energy operation and maintenance costs. Degradation of the blade coating and ultimately damage to the underlying blade structure are caused by collisions of falling hydrometeors with rotating blades. The selection of optimal methods to mitigate/reduce LEE are critically dependent on the rates of coating fatigue accumulation at a given location and the time variance in the accumulation of material stresses. However, no such assessment currently exists for the United States of America (USA). To address this research gap, blade coating lifetimes at 883 sites across the USA are generated based on high-frequency (5-min) estimates of material fatigue derived using a mechanistic model and robust meteorological measurements. Results indicate blade coating failure at some sites in as few as 4 years, and that the frequency and intensity of material stresses are both highly episodic and spatially varying. Time series analyses indicate that up to one-third of blade coating lifetime is exhausted in just 360 5-min periods in the Southern Great Plains (SGP). Conversely, sites in the Pacific Northwest (PNW) exhibit the same level of coating lifetime depletion in over three times as many time periods. Thus, it may be more cost-effective to use wind turbine deregulation (erosion-safe mode) for damage reduction and blade lifetime extension in the SGP, while the application of blade leading edge protective measures may be more appropriate in the PNW. Annual total precipitation and mean wind speed are shown to be poor predictors of blade coating lifetime, re-emphasizing the need for detailed modeling studies such as that presented herein.

Pryor, Sara C. (ORCID:0000000348473440)↗

DOE OSTI2019

Influence of 3D plasmoid dynamics on the transition from collisional to kinetic reconnection

Within the resistive magnetohydrodynamic model, high-Lundquist number reconnection layers are unstable to the plasmoid instability, leading to a turbulent evolution where the reconnection rate can be independent of the underlying resistivity. However, the physical relevance of these results remains questionable for many applications. First, the reconnection electric field is often well above the runaway limit, implying that collisional resistivity is invalid. Furthermore, both theory and simulations suggest that plasmoid formation may rapidly induce a transition to kinetic scales, due to the formation of thin current sheets. Here, this problem is studied for the first time using a first-principles kinetic simulation with a Fokker-Planck collision operator in 3D. The low-β reconnecting current layer thins rapidly due to Joule heating before the onset of the oblique plasmoid instability. Linear growth rates for standard (k y = 0) tearing modes agree with semicollisional boundary layer theory, but the angular spectrum of oblique (|k y |>0) modes is significantly narrower than predicted. In the nonlinear regime, flux-ropes formed by the instability undergo complex interactions as they are advected and rotated by the reconnection outflow jets, leading to a turbulent state with stochastic magnetic field. In a manner similar to previous 2D results, super-Dreicer fields induce a transition to kinetic reconnection in thin current layers that form between flux-ropes. These results may be testable within new laboratory experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Association Kinetics for Perfluorinated n -Alkyl Radicals

Radical-radical reaction channels are important in the pyrolysis and oxidation chemistry of perfluoroalkyl substances (PFAS). In particular, unimolecular dissociation reactions within unbranched n-perfluoroalkyl chains, and their corresponding reverse barrierless association reactions, are expected to be significant contributors to the gas-phase thermal decomposition of families of species such as perfluorinated carboxylic acids and perfluorinated sulfonic acids. Unfortunately, experimental data for these reactions are scarce and uncertain. Furthermore, obtaining reliable theoretical predictions for such reactions is a laborious and computationally intensive task. Here, in this work, the chemical kinetics of the various association/decomposition reactions producing/decomposing the C 2 -C 4 series of unbranched n-perfluoroalkanes (C 2 F 6 , C 3 F 8 , and C 4 F 10 ) are examined using state-of-the-art ab initio transition-state-theory-based master-equation calculations. The variable-reaction-coordinate transition-state theory (VRC-TST) formalism is employed in computing the microcanonical and canonical rates for the association reactions. Reaction thermochemistry is obtained via composite quantum chemistry calculations and the laddering of error-canceling reaction schemes via a connectivity-based hierarchy approach employing ANL1/ANL0-style reference energies. Lennard-Jones collision model parameters for the considered systems were estimated by a direct dynamics approach, and collisional energy transfer parameters were obtained from analogies to systems of similar size and heavy-atom connectivity. A one-dimensional master equation approach was used to convert the microcanonical rate coefficients from the VRC-TST analysis into temperature- and pressure-dependent rate constants for the association reactions and the reverse dissociation reactions. The data are reported in standardized formats for usage in comprehensive chemical kinetic models for PFAS thermal destruction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Star Formation in Splash Bridges

Splash bridges are created from the direct collision of two gas-rich disk galaxies. These direct collisions can eject gas masses on the order of 10 10 M ⊙ stripped from the stellar disks of each galaxy. The Taffy Galaxy system (UGC 1294/5) is a prototypical example of a splash bridge system. CO observations of the Taffy revealed that its splash bridge contains a mass of H 2 equal to the Milky Way's H 2 mass. However, the little visible star formation occurring within the bridge highlights the need for models of direct gas-rich disk collisions. The Arp 194 system displays what may be another splash bridge resulting from the collision between two disk galaxies. The region between the two stellar disks contains bright clumps of active star formation. We aim to better understand the conditions for star formation in splash bridges by employing a Jeans criterion to determine where gravitational instabilities occur in the shocked and cooling gas of gas-rich disk collisions. The splash bridge results are obtained from our previous work using a sticky particle code and post-processed. We find that the inclination between the gas disks and the collision velocity with which the gas collides strongly affects the fraction of gas that will become gravitationally unstable. Low inclinations between gas disks produce starbursts whereas high inclinations result in steady-rate star formation. The offset of the gas disks at impact will determine how many gas elements directly collide but does not strongly affect the resulting star formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Electron Ion Collider Strong Hadron Cooling design Summary

The Electron-Ion Collider (EIC) requires a high-energy cooler to maintain excellent beam quality and achieve high luminosity throughout long collision stores. To meet this requirement, the EIC project has adopted a novel approach known as Coherent Electron Cooling (CeC)—referred to as Strong Hadron Cooling (SHC)—which can provide rapid cooling rates at high energies. The SHC relies on an Energy Recovery Linac (ERL) to provide the intense, high-quality, and low-noise electron beam essential for the cooling process. This paper summarizes the design progress of the Strong Hadron Cooler for the EIC. We discuss key aspects of the project, including cooling physics modeling, luminosity evolution during collisions, the ERL design, risk mitigation strategies, remaining challenges, and ongoing R&D efforts.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Test of lepton flavor universality in B ± → K ± μ + μ – and B ± → K ± e + e – decays in proton-proton collisions at $\sqrt{s}$ = 13 TeV

A test of lepton flavor universality in B ± → K ± μ + μ – and B ± → K ± e + e – decays, as well as a measurement of differential and integrated branching fractions of a nonresonant B ± → K ± μ + μ – decay are presented. The analysis is made possible by a dedicated data set of proton-proton collisions at $\sqrt{s}$ = 13 TeV recorded in 2018, by the CMS experiment at the LHC, using a special high-rate data stream designed for collecting about 10 billion unbiased b hadron decays. The ratio of the branching fractions B(B ± → K ± μ + μ – ) to B(B ± → K ± e + e – ) is determined from the measured double ratio R(K) of these decays to the respective branching fractions of the B ± → J/ψK ± with J/ψ → μ + μ – and e + e – decays, which allow for significant cancellation of systematic uncertainties. The ratio R(K) is measured in the range 1.1 < q 2 < 6.0 GeV 2 , where q is the invariant mass of the lepton pair, and is found to be R(K) = 0.78$^{+0.47}_{-0.23}$, in agreement with the standard model expectation R(K) ≈ 1. This measurement is limited by the statistical precision of the electron channel. The integrated branching fraction in the same q 2 range, B(B ± → K ± μ + μ – ) = (12.42 ± 0.68) x 10 -8 , is consistent with the present world-average value and has a comparable precision.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Identification of heavy, energetic, hadronically decaying particles using machine-learning techniques

Machine-learning (ML) techniques are explored to identify and classify hadronic decays of highly Lorentz-boosted W/Z/Higgs bosons and top quarks. Techniques without ML have also been evaluated and are included for comparison. The identification performances of a variety of algorithms are characterized in simulated events and directly compared with data. The algorithms are validated using proton-proton collision data at $\sqrt{s}$ = 13TeV, corresponding to an integrated luminosity of 35.9 fb -1 . Systematic uncertainties are assessed by comparing the results obtained using simulation and collision data. The new techniques studied in this paper provide significant performance improvements over non-ML techniques, reducing the background rate by up to an order of magnitude at the same signal efficiency.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Charm meson and charm-meson molecule in an expanding hadron gas

We present our studies on the evolution of charm mesons after the kinetic freeze-out of the expanding hadron gas produced in a heavy-ion collision and the thermal correction to a loosely bound charm-meson molecule in a pion gas. The πD* → πD* reaction rates have t-channel singularities that give contributions inversely proportional to the thermal width of the D. The ratio of the D 0 and D + production rate can differ significantly from those predicted using the measured D* branching fractions. The thermal correction to a loosely bound charm-meson molecule in a pion gas comes primarily from the complex thermal energy shift of the charm-meson constituents.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Ultrasonic Deterrents To Reduce Bat Mortality at Wind Turbines - Short Science Summary

In North America, several bat species commonly collide with operating turbines. Though the ultimate driver of collisions is unknown, studies suggest that bats may be attracted to turbines because they often approach and spend extended periods of time (seconds to minutes) interacting with turbine structures. To reduce bat mortality at wind farm operators, seek to reduce mortality rates by reducing the amount of time that bats interact with spinning turbine blades (or exposure). Current approaches to reduce exposure include curtailment, whereby turbine operators stop turbine rotors from spinning during periods when bats are expected to be at the highest risk of collision, and deterrent technologies that seek to discourage bats from entering/ limit the amount of time spent within the rotor swept area. We briefly describe the state of the science on ultrasonic deterrent technology, highlight potential drivers of variable efficacy for bat mortality reduction, and suggest next steps focus on identifying the driver(s) of such variability.

bats↗

DOE OSTI2019

Plasma kinetic effects on interfacial mix and burn rates in multispatial dimensions

The physics of mixing in plasmas is of great significance to inertial confinement fusion and high energy density laboratory experiments. Two- and three-dimensional (2D and 3D) particle-in-cell simulations with a binary collision model are used to explore kinetic effects arising during the mixing of plasma media. The applicability of the one-dimensional (1D) ambipolarity condition is evaluated in 2D and 3D simulations of a plasma interface with a sinusoidal perturbation. The 1D ambipolarity condition is found to remain valid in 2D and 3D, as electrons and ions flow together required for $J$ = 0. Simulations of perturbed interfaces show that diffusion-induced total pressure imbalance and hydroflows flatten fine interface structures and drive rapid atomic mix. The atomic mix rate from a structured interface is faster than the ~$\sqrt{\bar{t}}$ scaling obtained from 1D theory in the small-Knudsen-number limit. Plasma kinetic effects inhibit the growth of the Rayleigh-Taylor instability at small wavelengths and result in a nonmonotonic growth rate scaling with wavenumber k with a maximum at a low k value, much different from $\sqrt{Agk}$ (where A is the Atwood number and g is the gravitational constant) as expected in the absence of plasma kinetic effects. Simulations under plasma conditions relevant to MARBLE separated-reactant experiments on Omega and the NIF show kinetic modification of DT fusion reaction rates. With non-Maxwellian distributions and relative drifts between D and T ions, DT reactivity is higher than that inferred from rates using stationary Maxwellian distributions. Reactivity is additionally revealed to be reduced in the presence of finite-Knudsen-layer losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Performance of the CMS muon trigger system in proton-proton collisions at $\sqrt{s} =$ 13 TeV

The muon trigger system of the CMS experiment uses a combination of hardware and software to identify events containing a muon. During Run 2 (covering 2015-2018) the LHC achieved instantaneous luminosities as high as 2 $\times$ 10$^{34}$cm$^{-2}$s$^{-1}$ while delivering proton-proton collisions at $\sqrt{s} =$ 13 TeV. The challenge for the trigger system of the CMS experiment is to reduce the registered event rate from about 40 MHz to about 1 kHz. Significant improvements important for the success of the CMS physics program have been made to the muon trigger system via improved muon reconstruction and identification algorithms since the end of Run 1 and throughout the Run 2 data-taking period. The new algorithms maintain the acceptance of the muon triggers at the same or even lower rate throughout the data-taking period despite the increasing number of additional proton-proton interactions in each LHC bunch crossing. In this paper, the algorithms used in 2015 and 2016 and their improvements throughout 2017 and 2018 are described. Measurements of the CMS muon trigger performance for this data-taking period are presented, including efficiencies, transverse momentum resolution, trigger rates, and the purity of the selected muon sample. This paper focuses on the single- and double-muon triggers with the lowest sustainable transverse momentum thresholds used by CMS. The efficiency is measured in a transverse momentum range from 8 to several hundred GeV.

Trigger detectors↗

DOE OSTI2024

Combination of Searches for Higgs Boson Pair Production in pp Collisions at $\sqrt{s}$ = 13 TeV with the ATLAS Detector

This Letter presents results from a combination of searches for Higgs boson pair production using 126–140 fb−1 of proton-proton collision data at √𝑠 =13 TeV recorded with the ATLAS detector. At 95% confidence level (CL), the upper limit on the production rate is 2.9 times the standard model (SM) prediction, with an expected limit of 2.4 assuming no Higgs boson pair production. Constraints on the Higgs boson self-coupling modifier 𝜅 𝜆 = 𝜆 𝐻⁡𝐻⁡𝐻 /𝜆$^{SM}_{𝐻⁡𝐻⁡𝐻}$, and the quartic 𝐻⁡𝐻⁡𝑉⁢𝑉 coupling modifier 𝜅 2⁢𝑉 = 𝑔 𝐻⁡𝐻⁡𝑉⁢𝑉⁡ /𝑔$^{SM}_{𝐻⁡𝐻⁡𝑉⁢𝑉}$, are derived individually, fixing the other parameter to its SM value. The observed 95% CL intervals are −1.2<𝜅 𝜆 < 7.2 and 0.6<𝜅 2⁢𝑉 < 1.5, respectively, while the expected intervals are −1.6<𝜅 𝜆 < 7.2 and 0.4<𝜅 2⁢𝑉 < 1.6 in the SM case. Constraints obtained for several interaction parameters within Higgs effective field theory are the strongest to date, offering insights into potential deviations from SM predictions.

Hadron colliders↗

DOE OSTI2021

Observation of microwave shielding of ultracold molecules

Harnessing the potential wide-ranging quantum science applications of molecules will require control of their interactions. Here, we used microwave radiation to directly engineer and tune the interaction potentials between ultracold calcium monofluoride (CaF) molecules. By merging two optical tweezers, each containing a single molecule, we probed collisions in three dimensions. The correct combination of microwave frequency and power created an effective repulsive shield, which suppressed the inelastic loss rate by a factor of six, in agreement with theoretical calculations. The demonstrated microwave shielding shows a general route to the creation of long-lived, dense samples of ultracold polar molecules and evaporative cooling.

Anderegg, Loïc↗

DOE OSTI2022

Electron Ion Collider Strong Hadron Cooling Injector and ERL

Intra-beam Scattering (IBS) and other diffusion mechanisms in the EIC Hadron Storage Ring (HSR) degrade the beam emittances during a store, with growth times of about 2 hours at the nominal proton energies of 275GeV, 100 GeV, and 41 GeV. Strong Hadron Cooling (SHC) can maintain good hadron beam quality and high luminosity during long collision stores. A novel cooling method ’ Coherent electron Cooling (CeC) ’ is chosen as the baseline SHC method, due to its high cooling rates. An Energy Recovery Linac (ERL) is used to deliver an intense high-quality electron beam for cooling. In this paper, we discuss the beam requirements for SHC-CeC and describe the current status of the injector and ERL designs. Two designs of injector and ERL will be presented: one for dedicated SHC and another one for SHC with precooler.

Wang, E.↗

DOE OSTI2024

The Effect of Spatially Varying Collision Frequency on the Development of the Rayleigh–Taylor Instability

Abstract The Rayleigh–Taylor (RT) instability is ubiquitously observed, yet has traditionally been studied using ideal fluid models. Collisionality can vary strongly across the fluid interface, and previous work demonstrates the necessity of kinetic models to completely capture dynamics in certain collisional regimes. Where previous kinetic simulations used spatially and temporally constant collision frequency, this work presents five-dimensional (two spatial, three velocity dimensions) continuum-kinetic simulations of the RT instability using a more realistic spatially varying collision frequency. Three cases of collisional variation are explored for two Atwood numbers: low to intermediate, intermediate to high, and low to high. The low-to-intermediate case exhibits no RT instability growth, while the intermediate-to-high case is similar to a fluid-limit kinetic case with interface widening biased toward the lower-collisionality region. A novel contribution of this work is the low-to-high collisionality case that shows significantly altered instability growth through an upward movement of the interface and damped spike growth due to increased free-streaming particle diffusion in the lower region. Contributions to the energy flux from the non-Maxwellian portions of the distribution function are not accessible to fluid models and are greatest in magnitude in the spike and regions of low collisionality. Increasing the Atwood number results in greater RT instability growth and reduced upward interface movement. Deviation of the distribution function from Maxwellian is inversely proportional to collision frequency and concentrated around the fluid interface. The linear phase of RT instability growth is well described by theoretical linear growth rates accounting for viscosity and diffusion.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

A Rate Theory Model of Radiation-Induced Swelling in an Austenitic Stainless Steel

Many rate theory models of cavity (void) swelling have been published over the past 50 years, all having the same, or similar, structures. A rigorous validation of the models has not been possible because of the dearth of information concerning the microstructures that correspond with the swelling data. Whereas the lack of microstructure information is still an issue for historical swelling data, in the past 10–20 years data have been published on the evolution of the microstructure (point defect yields from collision cascades, cavity number densities, and dislocation densities/yield strengths) allowing certain gaps in information to be filled when considering historic swelling data. With reasonable estimates of key microstructure parameters, a standard rate theory model can be applied, and the model parameter space explored, in connection with historical swelling data. By using published data on: (i) yield strength as a function of dose and temperature (to establish an empirical expression for dislocation density evolution); (ii) cavity number densities as a function of temperature; and (iii) freely migrating defect (FMD) production as a function of primary knock-on atom (PKA) spectrum, the necessary parameter and microstructure inputs that were previously unknown can be used in model development. This paper describes a rate-theory model for void swelling of 316 stainless steel irradiated in the EBR-2 reactor as a function of irradiation temperature and neutron dose.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Electrochemical loading enhances deuterium fusion rates in a metal target

Nuclear fusion research for energy applications aims to create conditions that release more energy than required to initiate the fusion process1. To generate meaningful amounts of energy, fuels such as deuterium need to be spatially confined to increase the collision probability of particles2, 3–4. We therefore set out to investigate whether electrochemically loading a metal lattice with deuterium fuel could increase the probability of nuclear fusion events. Here we report a benchtop fusion reactor that enabled us to bombard a palladium metal target with deuterium ions. These deuterium ions undergo deuterium–deuterium fusion reactions within the palladium metal. We showed that the in situ electrochemical loading of deuterium into the palladium target resulted in a 15(2)% increase in deuterium–deuterium fusion rates. This experiment shows how the electrochemical loading of a metal target at the electronvolt energy scale can affect nuclear reactions at the megaelectronvolt energy scale.

Chen, Kuo-Yi↗