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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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At least 397 records · Page 22
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DOE OSTI2021

Theoretical kinetics predictions for NH 2 + HO 2

Recent modeling studies of NH 3 oxidation, which are motivated by the prospective role of ammonia as a zero-carbon fuel, have indicated significant discrepancies between existing literature mechanisms. In this study high level theoretical kinetics predictions have been obtained for the reaction of NH 2 with HO 2 , which has previously been highlighted as an important reaction with high sensitivity and high uncertainty. The potential energy surface is explored with coupled cluster calculations including large basis sets and high-level corrections to yield high accuracy (~0.2 kcal/mol) estimates of the stationary point energies. Variational transition state theory is used to predict the microcanonical rate constants, which are then incorporated in master equation treatments of the temperature and pressure dependent kinetics. For the radical-radical channels, the microcanonical rates are obtained from variable reaction coordinate transition state theory implementing directly evaluated multireference electronic energies. The analysis yields predictions for the total rate constant as well as the branching to the NH 3 + O 2 , H 2 NO + OH, and HNO + H 2 O channels. Rate constants are also reported for the H 2 NO + OH reaction as they arise naturally from the analysis. The rate constant and branching fraction determined in this work for the NH 2 + HO 2 reaction deviate significantly from values used in most previous modeling studies. The fact that the main product channel is chain terminating, rather than propagating, has strong implications for modeling NH 3 ignition and oxidation, in particular at intermediate temperatures and elevated pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Automated identification and calculation of prompt effects in kinetic mechanisms using statistical models

The kinetics of prompt dissociation involves rovibrationally excited species (generally formed by exothermic reactions) which may dissociate or isomerize prior to thermalization via collisions with the bath gas. Treating such rovibrationally excited species (so-called "hot" species) with standard kinetic phenomenology may result in incorrect macroscopic representation of their reactivity. Here this work presents the first fully automated methodology for the calculation of prompt effects of a chosen species in a kinetic mechanism, including (i) reaction selection; (ii) theoretical calculation of rate constants and prompt branching fractions; and (iii) final rate constant fitting. The energy partition between hot fragments is estimated using a variety of statistical models, including a new physically sound microcanonical statistical model based on the rovibrational density of states of the fragments. The methodology is validated against literature data for the prompt dissociations of HCO and C 3 H 7 radicals. The microcanonical statistical model is in better agreement with trajectory simulations for larger species and is thus applicable for practical systems that typically involve large molecules, for which direct dynamics calculations are impractical. The automated workflow is applied to the evaluation of the effects of prompt dissociation for two isomeric radicals C 4 H 7 1-3 (1-methylallyl) and C 4 H 7 1-4 (3-buten-1-yl). Twelve H-atom abstraction reactions are selected and the corresponding rate constants are computed with first principles theory. The microcanonical statistical model predicts that prompt dissociations of C 4 H 7 1-3 and C 4 H 7 1-4 are already significant at 1000K, resulting in differences of up to an order of magnitude at 2000K with respect to the phenomenological thermal rate constants. To illustrate the effects of prompt dissociation on simulations of experimental data, the calculated prompt rate constants are implemented in both CRECK and C3MechV3.3 kinetic mechanisms. Simulations of experimental flame data illustrate the noticeable impact of prompt dissociation kinetics on the high-temperature combustion reactivity of C 4 H 8 -1 and C 4 H 8 -2.

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

An experimental, theoretical and kinetic modeling study of the N 2 O-H 2 system: Implications for N 2 O + H

The reaction of N 2 O with His the key step in consumption of nitrous oxide in thermal processes. The major product channel is N 2 + OH, while NH + NO constitute minor products. In addition, a pathway involving HNNO, initiated by N 2 O + H (+M)$\rightleftarrows$HNNO (+M) (R3, R4), has been inferred from experiment and theory by Burke and coworkers. At longer reaction times, the reaction may reach partial equilibration, and in addition to k 3 and k 4 the importance of this channel depends on the thermodynamic properties of HNNO and its consumption reactions, mainly HNNO + H. In the present work, we re-examined the thermochemistry of HNNO and calculated rate constants and branching fractions for the HNNO + H reaction. Experiments on the N 2 O-H 2 system were conducted in a high-pressure flow reactor at 100 atm as a function of temperature (600-925 K) and stoichiometry and explained in terms of an updated chemical kinetic model. The results support the importance of the HNNO pathway, which results in inhibition of N 2 O consumption and formation of NH 3 . In addition, selected literature results on the N 2 O-H 2 system are re-examined and the implications for the other product channels of N 2 O + H, in particular NH + NO, are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Search for the rare decay of the W boson into a pion and a photon in proton-proton collisions at $ \sqrt{s}$=13TeV

A search is performed for the rare decay W ± → π ± γ in proton-proton collisions at s = 13 TeV . Data corresponding to an integrated luminosity of 137 fb - 1 were collected during 2016 to 2018 with the CMS detector. This analysis exploits a novel search strategy based on W boson production in top quark pair events. An inclusive search for the W ± → π ± γ decay is not optimal at the LHC because of the high trigger thresholds. Instead, a trigger selection is exploited in which the W boson originating from one of the top quarks is used to tag the event in a leptonic decay. The W boson emerging from the other top quark is used to search for the W ± → π ± γ signature. Such decays are characterized by an isolated track pointing to a large energy deposit, and by an isolated photon of large transverse momentum. The presence of b quark jets reduces the background from the hadronization of light-flavor quarks and gluons. The W ± → π ± γ decay is not observed. An upper exclusion limit is set to this branching fraction, corresponding to 1.50 × 10 - 5 at 95% confidence level, whereas the expected upper exclusion limit is 0.85 - 0.29 + 0.52 × 10 - 5 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Search for flavour-changing neutral-current couplings between the top quark and the photon with the ATLAS detector at s = 13 TeV

This letter documents a search for flavour-changing neutral currents (FCNCs), which are strongly suppressed in the Standard Model, in events with a photon and a top quark with the ATLAS detector. The analysis uses data collected in pp collisions at TeV during Run 2 of the LHC, corresponding to an integrated luminosity of 139 fb –1 . Both FCNC top-quark production and decay are considered. The final state consists of a charged lepton, missing transverse momentum, a b-tagged jet, one high-momentum photon and possibly additional jets. A multiclass deep neural network is used to classify events either as signal in one of the two categories, FCNC production or decay, or as background. No significant excess of events over the background prediction is observed and 95% CL upper limits are placed on the strength of left- and right-handed FCNC interactions. The 95% CL bounds on the branching fractions for the FCNC top-quark decays, estimated (expected) from both top-quark production and decay, are B(t → uγ) < 0.85 (0.88$^{+0.37}_{-0.25}$) × 10 –5 and B(t → cγ) < 4.2 (3.40$^{+1.35}_{-0.95}$) × 10 –5 for a left-handed tqγ coupling, and B(t → uγ) < 1.2 (1.20$^{+0.50}_{-1.33}$) ×10 –5 and B(t → cγ) < 4.5 (3.70$^{+1.47}_{-1.03}$) × 10 –5 for a right-handed coupling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for Higgs boson decays into Z and J/ψ and for Higgs and Z boson decays into J/ψ or Y pairs in pp collisions at s = 13 TeV

Decays of the Higgs boson into a z boson and a J/ψ or ψ(2S) meson are searched for in four-lepton final states with the CMS detector at the LHC. A data set of proton-proton collisions corresponding to an integrated luminosity of 138 fb -1 is used. Using the same data set, decays of the Higgs and z boson into quarkonium pairs are also searched for. An observation of such decays with this sample would indicate the presence of physics beyond the standard model. No evidence for these decays has been observed and upper limits at the 95% confidence level are placed on the corresponding branching fractions ($\mathscr{B}$). Assuming longitudinal polarization of the Higgs boson decay products, 95% confidence level observed upper limits for $\mathcal{B}$(H→ZJ/ψ) and $\mathcal{B}$(H→Zψ(2S)) are 1.9 X 10 -3 and 6.6 X 10 -3 , respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

A search for the K + → μ - νe + e + decay

A search for the K + → μ - νe + e + decay, forbidden within the Standard Model by either lepton number or lepton flavour conservation depending on the flavour of the emitted neutrino, has been performed using the dataset collected by the NA62 experiment at CERN in 2016--2018. An upper limit of 8.1×10 -11 is obtained for the decay branching fraction at 90% CL, improving by a factor of 250 over the previous search.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for an axion-like particle in radiative $J/ψ$ decays

We search for an axion-like particle (ALP) a through the process $\psi$(3686) → π + π – J/$\psi$, J/$\psi$ → γa, a → γγ in a data sample of (2.71 ± 0.01) x 10 9 $\psi$(3686) events collected by the BESIII detector. No significant ALP signal is observed over the expected background, and the upper limits on the branching fraction of the decay J/$\psi$ → γa and the ALP-photon coupling constant g aγγ are set at 95% confidence level in the mass range of 0.165 ≤ m a ≤ 2.84 GeV/c 2 . The limits on $\mathscr{B}$(J/$\psi$ → γa) range from 8.3 x 10 –8 to 1.8 x 10 –6 over the search region, and the constraints on the ALP-photon coupling are the most stringent to date for 0.165 ≤ m a ≤ 1.468 GeV/c 2 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Search for a heavy composite Majorana neutrino in events with dilepton signatures from proton-proton collisions at s = 13 TeV

Results are presented of a search for a heavy Majorana neutrino Image 1 decaying into two same-flavor leptons ℓ (electrons or muons) and a quark-pair jet. A model is considered in which the Image 1 is an excited neutrino in a compositeness scenario. The analysis is performed using a sample of proton-proton collisions at s = 13 TeV recorded by the CMS experiment at the CERN LHC, corresponding to an integrated luminosity of 138 fb − 1 . The data are found to be in agreement with the standard model prediction. For the process in which the Image 1 is produced in association with a lepton, followed by the decay of the Image 1 to a same-flavor lepton and a quark pair, an upper limit at 95% confidence level on the product of the cross section and branching fraction is obtained as a function of the Image 1 mass Image 2 and the compositeness scale Λ. For this model the data exclude the existence of Image 3 (Image 4) for Image 2 below 6.0 (6.1) TeV, at the limit where Image 2 is equal to Λ. For Image 5, values of Λ less than 20 (23) TeV are excluded. These results represent a considerable improvement in sensitivity, covering a larger parameter space than previous searches in Image 6 collisions at 13 TeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for exclusive Higgs and Z boson decays to ωγ and Higgs boson decays to K*γ with the ATLAS detector

Searches for the exclusive decays of the Higgs boson to an ω meson and a photon or a Κ * meson and a photon can probe flavour-conserving and flavour-violating Higgs boson couplings to light quarks, respectively. Searches for these decays, along with the analogous Z boson decay to an ω meson and a photon, are performed with a pp collision data sample corresponding to integrated luminosities of up to 134 fb -1 collected at $\sqrt{s}$ = 13 TeV with the ATLAS detector at the CERN Large Hadron Collider. The obtained 95% confidence-level upper limits on the respective branching fractions are $\mathscr{B}$(H → ω$\gamma$) < 5.5 x 10 -4 , $\mathscr{B}$(H → Κ *$\gamma$) < 2.2 x 10 -4 and $\mathscr{B}$(Z → ω$\gamma$) 3.9 x 10 -6 . The limits for H → ω$\gamma$ and Z → ω$\gamma$ are 370 times and 140 times the Standard Model expected values, respectively. The result for Z → ω$\gamma$ corresponds to a two-orders-of-magnitude improvement over the limit obtained by the DELPHI experiment at LEP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for an exotic decay of the Higgs boson into a Z boson and a pseudoscalar particle in proton-proton collisions at s = 13 TeV

A search for an exotic decay of the Higgs boson to a Z boson and a light pseudoscalar particle (a), decaying to a pair of leptons and a pair of photons, respectively, is presented. The search is based on proton-proton collision data at a center-of-mass energy of s = 13 TeV , collected with the CMS detector at the LHC and corresponding to an integrated luminosity of 138 fb − 1 . The analysis probes pseudoscalar masses m a between 1 and 30 GeV, leading to two pairs of well-isolated leptons and photons. Upper limits at 95% confidence level are set on the Higgs boson production cross section times its branching fraction to two leptons and two photons. The observed (expected) limits are in the range of 1.1–17.8 (1.7–17.9)fb within the probed m a interval. An excess of data above the expected standard model background with a local (global) significance of 2.6 (1.3) standard deviations is observed for a mass hypothesis of m a = 3 GeV . Limits on models involving axion-like particles, formulated as an effective field theory, are also reported.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for the lepton flavor violating τ → 3μ decay in proton-proton collisions at s = 13 TeV

A search for the lepton flavor violating τ → 3 μ decay is performed using proton-proton collision events at a center-of-mass energy of 13 TeV collected by the CMS experiment at the LHC in 2017–2018, corresponding to an integrated luminosity of 97.7 fb − 1 . Tau leptons produced in both heavy-flavor hadron and W boson decays are exploited in the analysis. No evidence for the decay is observed. The results of this search are combined with an earlier null result based on data collected in 2016 to obtain a total integrated luminosity of 131 fb − 1 . The observed (expected) upper limits on the branching fraction B ( τ → 3 μ ) at confidence levels of 90 and 95% are 2.9 × 10 − 8 ( 2.4 × 10 − 8 ) and 3.6 × 10 − 8 ( 3.0 × 10 − 8 ), respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Searches for exclusive Higgs boson decays into D *$\gamma$ and Z boson decays into D 0 $\gamma$ and K $^{0}_{s}$$\gamma$ in pp collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

Searches for exclusive decays of the Higgs boson into D*$\gamma$ and of the Z boson into D 0 $\gamma$ and K$_{s}^{0}$$\gamma$ can probe flavour-violating Higgs boson and Z boson couplings to light quarks. Searches for these decays are performed with a pp collision data sample corresponding to an integrated luminosity of 136.3 fb -1 collected at $\sqrt{s}$ = 13TeV between 2016–2018 with the ATLAS detector at the CERN Large Hadron Collider. In the D*$\gamma$ and D 0 $\gamma$ channels, the observed (expected) 95% confidence-level upper limits on the respective branching fractions are B(H→D*$\gamma$) < 1.0(1.2)×10 -3 , B(Z→D 0 $\gamma$) < 4.0(3.4)×10 -6 , while the corresponding results in the K$_{s}^{0}$$\gamma$ channel are B(Z→K$_{s}^{0}$$\gamma$) < 3.1(3.0)×10 -6 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Measurement of the production cross section of a Higgs boson with large transverse momentum in its decays to a pair of τ leptons in proton-proton collisions at s = 13 TeV

A measurement of the production cross section of a Higgs boson with transverse momentum greater than 250GeV is presented where the Higgs boson decays to a pair of τ leptons. It is based on proton-proton collision data collected by the CMS experiment at the CERN LHC at a center-of-mass energy of 13TeV. The data sample corresponds to an integrated luminosity of 138 fb − 1 . Because of the large transverse momentum of the Higgs boson the τ leptons from its decays are boosted and produced spatially close, with their decay products overlapping. Therefore, a dedicated algorithm was developed to reconstruct and identify them. The observed (expected) significance of the measured signal with respect to the standard model background-only hypothesis is 3.5 (2.2) standard deviations. The product of the production cross section and branching fraction is measured to be 1.64 − 0.54 + 0.68 times the standard model expectation. The fiducial differential production cross section is also measured as functions of the Higgs boson and leading jet transverse momenta. This measurement extends the probed large-transverse-momentum region in the ττ final state beyond 600GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Search for a standard model-like Higgs boson in the mass range between 70 and 110 GeV in the diphoton final state in proton-proton collisions at $\sqrt{s} = 13$ TeV

The results of a search for a standard model-like Higgs boson decaying into two photons in the mass range between 70 and 110 GeV are presented. The analysis uses the data set collected by the CMS experiment in proton-proton collisions at $\sqrt{s} = 13$ TeV corresponding to integrated luminosities of 36.3 fb -1 , 41.5 fb -1 and 54.4 fb -1 during the 2016, 2017, and 2018 LHC running periods, respectively. No significant excess over the background expectation is observed and 95% confidence level upper limits are set on the product of the cross section and branching fraction for decays of an additional Higgs boson into two photons. The maximum deviation with respect to the background is seen for a mass hypothesis of 95.4 GeV with a local (global) significance of 2.9 (1.3) standard deviations. The observed upper limit ranges from 15 to 73 fb.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Combination of searches for singly and doubly charged Higgs bosons produced via vector-boson fusion in proton–proton collisions at s = 13 TeV with the ATLAS detector

A combination of searches for singly and doubly charged Higgs bosons, H ± and H ±± , produced via vector-boson fusion is performed using 140 fb -1 of proton–proton collisions at a centre-of-mass energy of 13 TeV, collected with the ATLAS detector during Run 2 of the Large Hadron Collider. Searches targeting decays to massive vector bosons in leptonic final states (electrons or muons) are considered. New constraints are reported on the production cross-section times branching fraction for charged Higgs boson masses between 200 GeV and 3000 GeV. The results are interpreted in the context of the Georgi-Machacek model for which the most stringent constraints to date are set for the masses considered in the combination.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Search for the Higgs boson decays to a ρ 0 , ϕ, or K ⁎0 meson and a photon in proton-proton collisions at $\sqrt{s} = 13$ TeV

Three rare decay processes of the Higgs boson to a ρ(770) 0 , Φ(1020), or K ⁎ (892) 0 meson and a photon are searched for using $\sqrt{s} = 13$ TeV proton-proton collision data collected by the CMS experiment at the LHC. Events are selected assuming the mesons decay into a pair of charged pions, a pair of charged kaons, or a charged kaon and pion, respectively. Depending on the Higgs boson production mode, different triggering and reconstruction techniques are adopted. The analyzed data sets correspond to integrated luminosities up to 138 fb -1 , depending on the reconstructed final state. After combining various data sets and categories, no significant excess above the background expectations is observed. Upper limits at 95% confidence level on the Higgs boson branching fractions into ρ(770) 0 $γ$, Φ(1020)$γ$, and K ⁎ (892) 0 are determined to be 3.7 x 10 -4 , 3.0 x 10 -4 , and 3.0 x 10 -4 , respectively. In case of the ρ(770) 0 $γ$ and Φ(1020)$γ$ channels, these are the most stringent experimental limits to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Search for rare decays of the Z and Higgs bosons to a J / ψ or ψ(2S) meson and a photon in proton-proton collisions at s = 13 TeV

A search is presented for rare decays of the Z and Higgs bosons to a photon and a J∕ψ or a ψ(2S) meson, with the charmonium state subsequentially decaying to a pair of muons. The data set corresponds to an integrated luminosity of 123 fb −1 of proton-proton collisions at a center-of-mass energy of 13TeV collected with the CMS detector at the LHC. No evidence for branching fractions of these rare decay channels larger than predicted in the standard model is observed. Upper limits at 95% confidence level are set: $\mathcal{B}$(H → J∕ψγ ) < 2.6 × 10 −4 , $\mathcal{B}$(H → ψ(2S)γ ) < 9.9 × 10 −4 , $\mathcal{B}$(Z → J∕ψγ ) < 0.6 × 10 −6 , and $\mathcal{B}$(Z → ψ(2S)γ ) < 1.3 × 10 −6 . The ratio of the Higgs boson coupling modifiers 𝜅 c ∕𝜅 γ is constrained to be in the interval (−157, +199) at 95% confidence level. Assuming 𝜅 γ = 1, this interval becomes (−166, +208).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗