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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

On the Rate Constant for NH 2 +HO 2 and Third-Body Collision Efficiencies for NH 2 +H(+M) and NH 2 +NH 2 (+M)

In low-temperature flash photolysis of NH 3 /O 2 /N 2 mixtures, the NH 2 consumption rate and the product distribution is controlled by the reactions NH 2 + HO 2 → products (R1), NH 2 + H (+M) → NH 3 (+M) (R2), and NH 2 + NH 2 (+M) → N 2 H 4 (+M) (R3). In the present work, published flash photolysis experiments by, among others, Cheskis and co-workers, are re-interpreted using recent direct measurements of NH 2 + H (+N 2 ) and NH 2 + NH 2 (+N 2 ) from Altinay and Macdonald. To facilitate analysis of the FP data, relative third-body collision efficiencies compared to N 2 for R2 and R3 were calculated for O 2 and NH 3 as well as for other selected molecules. We report results were in good agreement with the limited experimental data. Based on reported NH 2 decay rates in flash photolysis of NH 3 /O 2 /N 2 , a rate constant for NH 2 + HO 2 → NH 3 + O 2 (R1a) of $k_{1\text{a}}$ = 1.5(±0.5) × 10 14 cm 3 mol –1 s –1 at 295 K was derived. This value is higher than earlier determinations based on the FP results but in good agreement with recent theoretical work. Kinetic modeling of reported N 2 O yields indicates that NH 2 + HO 2 → H 2 NO + O (R1c) is competing with R1a, but perturbation experiments with addition of CH4 indicate that it is not a dominating channel. Measured HNO profiles indicate that this component is formed directly by NH 2 + HO 2 → HNO + H 2 O (R1b), but theoretical work indicates that R1b is only a minor channel. Based on this analysis, we estimate $k_{1\text{c}}$ = 2.5 × 10 13 cm 3 mol –1 s –1 and $k_{1\text{b}}$ = 2.5 × 10 12 cm 3 mol –1 s –1 at 295 K, with significant uncertainty margins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Evaluation of a Reference-Free Collision Cross Section Calibration Strategy for Proteomics Using SLIM-Based High-Resolution Ion Mobility Spectrometry–Mass Spectrometry

Ion mobility spectrometry (IMS) is a gas-phase analytical technique that separates ions with different sizes and shapes and is compatible with mass spectrometry (MS) to provide an additional separation dimension. The rapid nature of the IMS separation combined with the high sensitivity of MS-based detection and the ability to derive structural information on analytes in the form of the property collision cross section (CCS) makes IMS particularly well-suited for characterizing complex samples in -omics applications. In such applications, the quality of CCS from IMS measurements is critical to confident annotation of the detected components in the complex -omics samples. However, most IMS instrumentation in mainstream use requires calibration to calculate CCS from measured arrival times, with the most notable exception being drift tube IMS measurements using multifield methods. The strategy for calibrating CCS values, particularly selection of appropriate calibrants, has important implications for CCS accuracy, reproducibility, and transferability between laboratories. The conventional approach to CCS calibration involves explicitly defining calibrants ahead of data acquisition and crucially relies upon availability of reference CCS values. In this work, we present a novel reference-free approach to CCS calibration which leverages trends among putatively identified features and computational CCS prediction to conduct calibrations post-data acquisition and without relying on explicitly defined calibrants. We demonstrated the utility of this reference-free CCS calibration strategy for proteomics application using high-resolution structures for lossless ion manipulations (SLIM)-based IMS-MS. In conclusion, we first validated the accuracy of CCS values using a set of synthetic peptides and then demonstrated using a complex peptide sample from cell lysate.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Thermal-model-based characterization of heavy-ion-collision systems at chemical freeze-out

We investigate the chemical freeze-out in heavy-ion collisions (HICs) and the impact of the hadronic spectrum on thermal model analyses [1, 2]. Detailed knowledge of the hadronic spectrum is still an open question, which has phenomenological consequences on the study of HICs. By varying the number of resonances included in Hadron Resonance Gas (HRG) Model calculations, we can shed light on which particles may be produced. Furthermore, we study the influence of the number of states on the so-called two flavor freezeout scenario, in which strange and light particles can freeze-out separately. We consider results for the chemical freeze-out parameters obtained from thermal model fits and from calculating net-particle fluctuations. We will show the effect of using one global temperature to fit all particles and alternatively, allowing particles with and without strange quarks to freeze-out separately.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Diffusion regime of electron–electron collisions in weakly ionized plasmas

We consider weakly ionized plasma where an elastic scattering of electrons on neutrals changes the individual acts and the rate of electron-electron collisions significantly. In this case, the kinetics of electron thermalization is very different from that in fully ionized plasma. Here, the colliding electrons do not move freely. They, instead, diffuse because of fast scattering on neutrals. We demonstrate how a proper account of this diffusion enables one to estimate the characteristic time of electron thermalization. We also present a rigorous derivation of the kinetic equation for electrons by using Bogolyubov’s method based on Liouville equations for multi-particle distribution functions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Effects of Coulomb collisions on lower hybrid drift waves inside a laboratory reconnection current sheet

We have developed a local, linear theoretical model for lower hybrid drift waves that can be used for plasmas in the weakly collisional regime. Two cases with typical plasma and field parameters for the current sheet of the magnetic reconnection experiment have been studied. For a case with a low electron beta (β e =0.25, high guide field case), the quasi-electrostatic lower hybrid drift wave is unstable, while the electromagnetic lower hybrid drift wave has a positive growth rate for a high-β e case (β e =8.9, low guide field case). For both cases, including the effects of Coulomb collisions reduces the growth rate but collisional impacts on the dispersion and growth rate are limited (≲20%).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Coalescence and splashing threshold for head-on collisions of liquid metal nanodroplets

Head-on collisions of liquid metal nanodroplets in a vacuum are investigated through molecular dynamics simulations in order to determine the transition threshold between the coalescing and splashing regimes for six different materials (aluminum, calcium, cerium, gold, platinum, and tin). Droplets of various sizes and initial speeds are simulated, and it is found that the Reynolds and Ohnesorge numbers are able to predict the transition between the coalescing and splashing regimes. An energy balance for coalescing droplets shows that the initial energy is mainly converted to thermal energy increasing the temperature of the combined droplets by several hundred to several thousand kelvin depending on the material, and this result is confirmed in the simulations. Furthermore, when splashing occurs, the number of smaller droplets formed and the spreading rate are found to be dependent on the initial size and initial speed of the original droplets.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Moments of the Boltzmann collision operator for Coulomb interactions

Exact moments of the Boltzmann collision operator are calculated in the irreducible Hermitian moment expansion written in terms of the random-velocity variable of each species. The formulas are presented in closed, algebraic form and can be straightforwardly implemented in computer algebra systems. They are valid for two arbitrary masses, temperatures, and flow velocities, and hence include all other existing results derived for distribution functions expanded with respect to reference states of one temperature and flow velocity. In comparison, the Landau collisional moments are good approximations for large Coulomb logarithm and small relative flow velocity, but they fail to predict the correct behavior of most collisional moments for large relative flow even for weakly coupled plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Bayesian inference of the incompressibility, skewness and kurtosis of nuclear matter from empirical pressures in relativistic heavy-ion collisions

Within the Bayesian statistical framework we infer the incompressibility K 0 , skewness J 0 and kurtosis Z 0 parameters of symmetric nuclear matter (SNM) at its saturation density ρ 0 using the constraining bands on the pressure in cold SNM in the density range of 1.3ρ 0 to 4.5ρ 0 from transport model analyses of kaon production and nuclear collective flow in relativistic heavy-ion collisions. As the default option assuming the K 0 , J 0 and Z 0 have Gaussian prior probability distribution functions (PDFs) with the means and variances of 235±30, -200±200 and -146±1728 MeV, their posterior most probable values are narrowed down to 192$^{+12}_{-16}$ MeV, -180$^{+100}_{-110}$ MeV and ${\mathrm{200}}_{-250}^{+250}$ at 68% confidence level, respectively. The results are largely independent of the prior PDFs of J 0 and Z 0 used. However, if one adopts the strong belief that the incompressibility K 0 has a uniform prior PDF within its absolute boundary of 220–260 MeV as one can find easily in the literature, the posterior most probable values of K 0 , J 0 and Z 0 shift to ${K}_{0}=22{0}_{-0}^{+6}$ MeV, ${J}_{0}=-39{0}_{-70}^{+60}$ MeV and ${Z}_{0}=60{0}_{-200}^{+200}$ MeV, respectively. While the posterior PDFs of the SNM EOS parameters depend somewhat on the prior PDF of K 0 used, the results from using different prior PDFs are qualitatively consistent. The uncertainties of all three parameters are significantly reduced especially for the J 0 and Z 0 parameters compared to their current values.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Vibrationally resolved cross sections for proton collisions with hydrogen molecules

The semi-classical molecular convergent close-coupling approach has been applied to proton collisions with molecular hydrogen in the ground electronic and vibrational state. Cross sections for electron loss and electron capture agree well with the experimental data in the intermediate energy range where coupling between electronic reaction channels is strong and previously available calculations produce inconsistent results. Results for elastic scattering and total excitation are compared with effective one-electron coupled-channel calculations, showing that accurate target structure makes an important difference to these cross sections at intermediate energies. The excitation cross sections are calculated using both the fixed-nuclei and adiabatic-nuclei approximations for transitions from the $X^1Σ^+_{\textrm{g}}$ state to the $B^1Σ^+_{\textrm{u}}$, $B'$$^1Σ^+_{\textrm{u}}$, $B''$$^1Σ^+_{\textrm{u}}$, $EF$$^1Σ^+_{\textrm{g}}$, $GK$$^1Σ^+_{\textrm{g}}$, $H$$^1Σ^+_{\textrm{g}}$, $C$$^1Π_{\textrm{u}}$, $D$$^1Π_{\textrm{u}}$, $D'$$^1Π_{\textrm{u}}$, $I$$^1Π_{\textrm{u}}$, and $J$$^1Δ_{\textrm{g}}$ states for proton energies from to keV. We find significant differences between the present ab initio calculations and the equivelocity scaled electron-scattering data that is currently used for collisional-radiative modelling. Furthermore, the adiabatic-nuclei calculations enable us to resolve the final vibrational level after excitation, producing a complete set of cross sections for excitation of ground-state molecular hydrogen for all electronic states up to $n = 3$, where $n$ is the united-atoms-limit principle quantum number.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Effects of macroparticle weighting in axisymmetric particle-in-cell Monte Carlo collision simulations

In this paper, the effects of macroparticle (MP) weighting on the plasma discharge, particularly near the centerline, are investigated using a two-dimensional axisymmetric particle-in-cell Monte Carlo collision (PIC/MCC) model. A variable MP weight according to the radial position of the MPs is employed to maintain sufficient number of MPs near the centerline of the plasma source. Finally, the plasma density obtained from the PIC/MCC simulations for low-pressure (25–100 mTorr) capacitively coupled plasmas is found to be artificially large when the MP weight near the centerline is not well resolved, demonstrating the need for particle convergence studies for axisymmetric PIC/MCC simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

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 emerging 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.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Observation of a cross-section enhancement near the production threshold in $\sqrt{s} = 13$ TeV pp collisions with the ATLAS detector

A measurement of $t\bar{t}$ production is presented in the invariant-mass region near the pair production threshold, $m_{t\bar{t}} \sim 345$ GeV, in final states with two charged leptons and multiple jets. The measurement is based on $140\,\mathrm{fb}^{-1}$ of proton–proton collision data collected at $\sqrt{s} = 13$ TeV with the ATLAS detector at the Large Hadron Collider. The data are compared to two models of $t\bar{t}$ production: a baseline model including only perturbative quantum chromodynamics (pQCD) predictions for the hard process at approximate next-to-next-to leading order accuracy in the strong coupling, and an extended model that, in addition, incorporates non-relativistic QCD simulations that also include the formation of colour-singlet quasi-bound-states near the $t\bar{t}$ threshold. The agreement between the data and the models is quantified via a profile-likelihood fit to the reconstructed $m_{t\bar{t}}$ distributions, in bins of two angular observables sensitive to spin-correlations in the $t\bar{t}$ system. An excess of events is observed over the baseline pQCD prediction, with an observed significance over 8 standard deviations. This excess is consistent with the formation of colour-singlet and spin-singlet S-wave quasi-bound $t\bar{t}$ states, as predicted by non-relativistic QCD, and corresponds to an observed cross-section of $9.3^{+1.4}_{-1.3}$ pb.

Large Hadron Collider↗
DOE OSTI2025

Feasibility of measuring the speed of sound of the quark-gluon plasma from the multiplicity and mean 𝑝 𝑇 of ultracentral heavy-ion collisions

The mean transverse momentum ⟨𝑝 𝑇 ⟩ of hadrons has been observed experimentally and in numerical simulations to have a power-law dependence on the hadronic multiplicity 𝑁 in ultracentral relativistic heavy-ion collisions: ⟨𝑝 𝑇 ⟩∝𝑁 𝑏 UC . It has been put forward that this exponent 𝑏 UC is the speed of sound of quark-gluon plasma measured at a temperature determined from ⟨𝑝 𝑇 ⟩. We study step by step the connection between (i) the energy and entropy of hydrodynamic simulations and (ii) experimentally measurable observables. We show that an argument based on energy and entropy should yield an exponent equal to the pressure over energy density 𝑃/ɛ, rather than the speed of sound 𝑐$_s^2$; however, we also observe that ⟨𝑝 𝑇 ⟩ and 𝑁 are not sufficiently accurate proxies for the energy and entropy to make this possible in practice. From simulations, we find that the exponent 𝑏 UC is significantly different whether the “effective volume” is strictly constant or not, a condition that cannot be enforced experimentally. Additional tests using a modified equation of state find that the exponent 𝑏 UC exhibits a variable degree of correlations with the speed of sound and with 𝑃/ɛ, but is not an accurate measurement of either quantity in general.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Observation of Coherent 𝜙⁡(1020) Meson Photoproduction in Ultraperipheral PbPb Collisions at $\sqrt{𝑠_{NN}}$ = 5.36 TeV

The first observation of coherent 𝜙⁡(1020) meson photoproduction off heavy nuclei is presented using ultraperipheral lead-lead collisions at a center-of-mass energy per nucleon pair of 5.36 TeV. The data were collected by the CMS experiment and correspond to an integrated luminosity of 1.62 μ⁢𝑏 −1 . The 𝜙⁡(1020) meson signals are reconstructed via the 𝐾 + ⁢𝐾 − decay channel. The production cross section is presented as a function of the 𝜙⁡(1020) meson rapidity in the range 0.3 < |𝑦| < 1.0, probing gluons that carry a fraction of the nucleon momentum (𝑥) around 10 −4 . The observed cross section exhibits little dependence on rapidity and is significantly suppressed, by a factor of ∼5, compared to a baseline model that treats a nucleus as a collection of free nucleons. Theoretical models that incorporate the nuclear shadowing effect generally provide a better description of the 𝜙⁡(1020) data than those incorporating gluon saturation. This study establishes a powerful new tool for exploring nuclear effects and nuclear gluonic structure in the small-𝑥 regime at a unique energy scale bridging the perturbative and nonperturbative quantum chromodynamics domains.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Explaining Snowball-in-Hell Phenomena in Heavy-Ion Collisions Using a Novel Thermodynamic Variable

A loosely bound hadronic molecule produced by a relativistic heavy-ion collision has been described as a “snowball in hell” since it emerges from a hadron resonance gas whose temperature is orders of magnitude larger than the binding energy of the molecule. This remarkable phenomenon can be explained in terms of a novel thermodynamic variable called the “contact” that is conjugate to the binding momentum of the molecule. The production rate of the molecule can be expressed in terms of the contact density at the kinetic freeze-out of the hadron resonance gas. It approaches a nonzero limit as the binding energy goes to 0.

Relativistic heavy-ion collisions↗
DOE OSTI2025

Measurement of the transverse energy density in Measurement of the transverse energy density in Au + Au collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV with the sPHENIX detector

Here, this paper reports measurements of the transverse energy per unit pseudorapidity (𝑑⁢𝐸 𝑇 /𝑑⁢𝜂) produced in Au + Au collisions at $\sqrt{𝑠_{𝑁⁢𝑁}}$ = 200 GeV, performed with the sPHENIX detector at the Relativistic Heavy Ion Collider (RHIC). The results cover the pseudorapidity range |𝜂| < 1.1 and constitute the first such measurement performed using a hadronic calorimeter at RHIC. Measurements of 𝑑⁢𝐸 𝑇 /𝑑⁢𝜂 are presented for a range of centrality intervals and the average 𝑑⁢𝐸 𝑇 /𝑑⁢𝜂 as a function of the number of participating nucleons, 𝑁 part , is compared to a variety of Monte Carlo heavy-ion event generators. The results are in agreement with previous measurements at RHIC, and feature an improved granularity in 𝜂 and improved precision in low-𝑁 part events.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Measurement of inclusive jet cross section and substructure in 𝑝 + 𝑝 collisions at $\sqrt{s}$ = 200 GeV

The jet cross section and jet-substructure observables in 𝑝 + 𝑝 collisions at $\sqrt{s}$ =200 GeV were measured by the PHENIX Collaboration at the Relativistic Heavy Ion Collider (RHIC). Jets are reconstructed from charged-particle tracks and electromagnetic-calorimeter clusters using the anti-𝑘 𝑡 algorithm with a jet radius of 𝑅 = 0.3 for jets with transverse momentum within 8.0 < 𝑝 𝑇 < 40.0 GeV/𝑐 and pseudorapidity |𝜂| < 0.15. Measurements include the jet cross section, as well as distributions of SoftDrop-groomed momentum fraction (𝑧 𝑔 ), charged-particle transverse momentum with respect to jet axis (𝑗 𝑇 ), and radial distributions of charged particles within jets (𝑟). Also measured was the distribution of 𝜉 = −ln⁡(𝑧), where 𝑧 is the fraction of the jet momentum carried by the charged particle. The measurements are compared to theoretical next-to and next-to-next-to-leading-order calculations, the PYTHIA and H erwig event generators, and to other existing experimental results. Indicated from these measurements is a lower particle multiplicity in jets at RHIC energies when compared to models. Also noted are implications for future jet measurements with sPHENIX at RHIC as well as at the future Electron-Ion Collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗