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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Theory of Plasmonic Hot-Carrier Generation and Relaxation

Hot-carrier (HC) generation from (localized) surface plasmon decay has recently attracted much attention due to its promising applications in physical, chemical, materials, and energy science. However, the detailed mechanisms of plasmonic HC generation, relaxation, and trapping are less studied. In this work, we developed and applied a quantum-mechanical model and coupled master equation method to study the generation of HCs from plasmon decay and their following relaxation processes with different mechanisms treated on equal footing. First, a quantum-mechanical model for HC generation is developed. Its connection to existing semiclassical models and time-dependent density functional theory (TDDFT) is discussed. Second, the relaxation and lifetimes of HCs are investigated in the presence of electron–electron and electron–phonon interactions. A GW-like approximation is introduced to account for the electron–electron scattering. The numerical simulations on the Jellium nanoparticles with a size up to 1.6 nm demonstrate the electron–electron scattering and electron–phonon scattering dominate different time scale in the relaxation dynamics. We also generalize the model to study the extraction of HCs to attached molecules. The quantum yield of extracting HCs for other applications is found to be size-dependent. In general, the smaller size of NP improves the quantum yield, which is in agreement with recent experimental measurements. Even though we demonstrate this newly developed theoretical formalism with Jellium model, the theory applies to any other atomistic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Understanding the Nature of Capacity Decay and Interface Properties in Li//LiNi 0.5 Mn 1.5 O 4 Cells by Cycling Aging and Titration Techniques

The spinel structure LiNi 0.5 Mn 1.5 O 4 (LNMO) is a propitious cathode material for next-generation lithium-ion batteries for fast charge–discharge applications, but its capacity decay mechanism and rate-limiting process are not yet well understood. In this work, electrochemical impedance spectroscopy (EIS) with galvanostatic intermittent titration (GITT) and cycling aging techniques were employed to investigate the nature of capacity decay in disordered-phase LNMO. Different resistive components were separated after every 10 cycles. Cell overvoltages (ΔVs) due to ohmic conduction, charge transfer (CT), and concentration polarization (CP) were individually determined. Results revealed that the cell exhibited a higher ΔV at a higher discharged state. However, the ΔV value for CP was higher at a higher state of charge (SOC), and the overall LNMO/electrolyte interface played a major role in the rate-determining step. Battery life was estimated based on the results. Battery calendar life was found to be more vulnerable than cycle life. Furthermore, results also indicated that the working SOC range could be optimized based on the resistance analysis by avoiding those SOCs that have the most detrimental impact (e.g., heat generation and fire hazard).

25 ENERGY STORAGE↗
DOE OSTI2026

Gold Quantum Rods: Modulation of Singlet and Triplet Exciton Populations by the Rod Length

Abstract Gold quantum rods (QRs) of Au60, Au78, Au96, and Au114 (protected by thiolate ligands) exhibit exclusive fluorescence, which is different from the shorter Au42 QR with dual emission (fluorescence + phosphorescence). Herein, we report the excitation wavelength-dependent near-infrared-II photoluminescence (PL) and exciton dynamics of this series of QRs. Interestingly, the fluorescence quantum yield (QY) of the QRs is much higher (2–10×) when the lowest singlet excited state (S1) is excited compared to the excitation of high-lying states (Sn). A metastable intermediate singlet state (denoted S′) is identified by transient absorption spectroscopy when Sn is excited, and this S′ state leads to fast “skybridge” intersystem crossing (ISC), which contributes primarily (>60%) to the total triplet population. With increasing aspect ratio (AR) of QRs (from 6.3 to 18.7), nonradiative processes accelerate, leading to fast decay of the S1 state (hence, less QY) and of the T1 state (barely phosphorescent). A detailed energy flow mechanism is determined for the QRs after photoexcitation, which offers a design principle for manipulation of exciton dynamics toward potential utilization of higher excited states in applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Efficient simulation of open quantum systems coupled to a reservoir through multiple channels

It is challenging to simulate open quantum systems that are connected to a reservoir through multiple channels. For example, vibrations may induce fluctuations in both energy gaps and electronic couplings, which represent two independent channels of system–bath couplings. Systems of this kind are ubiquitous in the processes of excited state radiationless decay. Combined with density matrix renormalization group (DMRG) and matrix product states (MPS) methods, we develop an interaction-picture chain mapping strategy for vibrational reservoirs to simulate the dynamics of these open systems, resulting in time-dependent spatially local system–bath couplings in the chain-mapped Hamiltonian. This transformation causes the entanglement generated by the system–bath interactions to be restricted within a narrow frequency window of vibrational modes, enabling efficient DMRG/MPS dynamical simulations. We demonstrate the utility of this approach by simulating singlet fission dynamics using a generalized spin-boson Hamiltonian with both diagonal and off-diagonal system–bath couplings. This approach generalizes an earlier interaction-picture chain mapping scheme, allowing for efficient and exact simulation of systems with multi-channel system–bath couplings using matrix product states, which may further our understanding of nonlocal exciton–phonon couplings in exciton transport and the non-Condon effect in energy and electron transfer.

Chemistry↗
DOE OSTI2026

Plasma decay of nanosecond pulsed laser-produced Ar and Ar–H 2 O sparks at atmospheric pressure

Time-resolved diagnostics were applied to investigate free-electron properties in nanosecond laser-produced discharges generated in atmospheric pressure Ar and in Ar–3%H 2 O. The discharges were generated using 23 ns, 1064 nm laser pulses. Broadband plasma imaging and laser Thomson scattering were combined with optical emission spectroscopy, with particular emphasis on the Stark broadening of the H α and H β lines. The plasma exhibited a bright emission that persists for up to 30–40 µs after breakdown. Plasma emission was then followed by a very weak glow emission that persisted for up to 19 ms after breakdown. Peak electron number density of ∼2 × 10 17 cm −3 and electron temperature of ∼7 eV were measured. An excellent agreement between both techniques was obtained regarding absolute electron number densities. The inferred free-electron temporal decay dynamics are consistent with processes dominated by hydrodynamic expansion and two- and three-body electron–ion recombination. These results provide benchmark data for modeling nanosecond laser discharges and demonstrate the reliability of combining Thomson scattering with Stark broadening in atmospheric laser sparks.

Thomson scattering↗
DOE OSTI2020

New method for fitting coefficients in standard model effective theory

We present an alternative method for carrying out a principal-component analysis of Wilson coefficients in standard model effective field theory (SMEFT). The method is based on singular-value decomposition (SVD). The SVD method provides information about the sensitivity of experimental observables to physics beyond the standard model that is not accessible in the Fisher-information method. In principle, the SVD method can also have computational advantages over diagonalization of the Fisher information matrix. We demonstrate the SVD method by applying it to the dimension-6 coefficients for the process of top-quark decay to a b quark and a W boson and use this example to illustrate some pitfalls in widely used fitting procedures. We also outline an iterative procedure for applying the SVD method to dimension-8 SMEFT coefficients.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Leptonic probes of alternative left-right symmetric models

We explore constraints on the parameter space of the alternative left-right model originating from the leptonic sector. Our analyses focuses on both lepton-flavor-conserving observables, particularly the anomalous magnetic moment of the muon, and lepton-flavor-violating processes like μ → e γ decay and μ − e conversions in nuclei. While contributions to the anomalous magnetic moment fall below the measured values at 2 σ , current and future experimental sensitivities to flavor-violating branching rations of the Standard Model leptons are expected to impose lower bounds on the mass of the peculiar S U ( 2 ) R gauge boson of the model. This provides complementary constraints relative to existing limits, which are indirect and derived from collider bounds on the mass of the associated neutral gauge boson Z ′ . Published by the American Physical Society 2025

Frank, Mariana (ORCID:0000000322684821)↗
DOE OSTI2022

Higgs Self Couplings Measurements at Future proton-proton Colliders

The Higgs boson trilinear and quartic self-couplings are directly related to the shape of the Higgs potential; measuring them with precision is extremely important, as they provide invaluable information on the electroweak symmetry breaking and the electroweak phase transition.In this paper, we perform a detailed analysis of double Higgs boson production, through the gluon-gluon fusion process, in the most promising decay channels $b\bar{b} \gamma\gamma$, $b\bar{b} \tau\tau$, and $b\bar{b}b\bar{b}$ for several future colliders: the HL-LHC at 14 TeV and the FCC-hh at 100 TeV, assuming respectively 3 $ab^{-1}$ and 30 $ab^{-1}$ of integrated luminosity.In the HL-LHC scenario, we expect an upper limit on the di-Higgs cross-section production of 0.76 at 95\% confidence level, corresponding to a significance of 2.8 $\sigma$.In the FCC-hh scenario, depending on the assumed detector performance and systematic uncertainties, we expect that the Higgs self-coupling will be measured with a precision in the range 4.8-8.5\% at 95\% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

MicroBooNE's First Search for the MiniBooNE Anomalous Excess Under a Photon-Like Hypothesis with High-Sensitivity Search for Neutrino-Induced Neutral Current Delta Production and Radiative Decay

MicroBooNE is a liquid argon time projection chamber that collected neutrino data at Fermilab's Booster Neutrino Beam from 2015 to 2020. One of its primary goals is to investigate the “Low Energy Excess” of neutrino events observed by the MiniBooNE experiment, for which candidate photon-like interpretations include an underestimation of neutrino neutral current (NC) resonant $\Delta$ production with subsequent radiative decay or another anomalous source of single photon production in neutrino interactions. In particular, NC $\Delta$ radiative decay is poorly constrained background process to electron neutrino measurements and could be a sizable contribution to the “Low Energy Excess.” This thesis will present the analysis developed to search for NC $\Delta \rightarrow N\gamma$ events in MicroBooNE, consisting of a boosted decision tree based event selection with an NC neutral pion background constraint, using data from the first three years of operations corresponding to $6.9\times10^{20}$ POT.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Higgs Self Couplings Measurements at Future proton-proton Colliders: a Snowmass White Paper

The Higgs boson trilinear and quartic self-couplings are directly related to the shape of the Higgs potential; measuring them with precision is extremely important, as they provide invaluable information on the electroweak symmetry breaking and the electroweak phase transition. In this paper, we perform a detailed analysis of double Higgs boson production, through the gluon gluon fusion process, in the most promising decay channels di-bottom-quark di-photons, di-bottom-quark di-tau, and four-bottom-quark for several future colliders: the HL-LHC at 14 TeV and the FCC-hh at 100 TeV, assuming respectively 3 inverse ab and 30 inverse ab of integrated luminosity. In the HL LHC scenario, we expect an upper limit on the di Higgs cross section production of 0.76 at 95% confidence level, corresponding to a significance of 2.8 sigma. In the FCC-hh scenario, depending on the assumed detector performance and systematic uncertainties, we expect that the Higgs self-coupling will be measured with a precision in the range 4.8-8.5% at 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Search for Higgs boson production in association with a high-energy photon via vector-boson fusion with decay into bottom quark pairs at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search is presented for the production of the Standard Model Higgs boson in association with a high-energy photon. With a focus on the vector-boson fusion process and the dominant Higgs boson decay into b-quark pairs, the search benefits from a large reduction of multijet background compared to more inclusive searches. Results are reported from the analysis of 132 fb –1 of pp collision data at $\sqrt{s}$ = 13 TeV collected with the ATLAS detector at the LHC. The measured Higgs boson signal yield in this final-state signature is 1.3 ± 1.0 times the Standard Model prediction. The observed significance of the Higgs boson signal above the background is 1.3 standard deviations, compared to an expected significance of 1.0 standard deviations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Study of Υ(10753) decays to π+π−Υ(nS) final states at Belle II

Abstract We present an analysis of the processe + e − →π + π − Υ(nS) (wheren= 1, 2, or 3) reconstructed in 19.6 fb −1 of Belle II data during a special run of the SuperKEKB collider at four energy points near the peak of the Υ(10753) resonance. By analyzing the mass distribution of theπ + π − Υ(nS) system and the Born cross sections of thee + e − →π + π − Υ(nS) process, we report the first observation of Υ(10753) decays to theπ + π − Υ(1S) andπ + π − Υ(2S) final states, and find no evidence for decays toπ + π − Υ(3S). Possible intermediate states in theπ + π − Υ(1S,2S) transitions are also investigated, and no evidence for decays proceeding via the$$ {\pi}^{\mp }{Z}_b^{\pm } $$ π ∓ Z b ± orf 0 (980)Υ(nS) intermediate states is found. We measure Born cross sections for thee + e − →π + π − Υ(nS) process that, combined with results from Belle, obtain the mass and width of Υ(10753) to be (10756.6 ± 2.7 ± 0.9) MeV/c 2 and (29.0 ± 8.8 ± 1.2) MeV, respectively. The relative ratios of the Born cross sections at the Υ(10753) resonance peak are also reported for the first time.

Physics↗
DOE OSTI2021

Stellar s-process neutron capture cross sections on 78,80,84,86 Kr determined via activation, atom trap trace analysis and decay counting

We present a detailed account of neutron capture experiments of astrophysical relevance on 78,80,84,86 Kr (n, γ) reactions at the border between weak and main s process. The experiments were performed with quasi-Maxwellian neutrons from the Liquid-Lithium Target (LiLiT) and the mA-proton beam at 1.93 MeV (2-3 kW) of the Soreq Applied Research Accelerator Facility (SARAF). The setup yields high-intensity approximate to 40 keV quasi-Maxwellian neutrons (3-5 x10 10 n/s) closely reproducing the conditions of s-process stellar nucleosynthesis. A sample of 100 mg of atmospheric, pre-nuclear-age Kr gas contained in a Ti spherical shell was activated in the LiLiT neutron field. The abundances of long-lived Kr isotopes ( 81,85g Kr) were measured by atom counting via atom trap trace analysis (ATTA) at Argonne National Laboratory and low-level counting (LLC) at University of Bern. This work is the first measurement of a nuclear cross section using atom counting via ATTA. The activities of short-lived Kr isotopes ( 79,85m,87 Kr) were measured by gamma-decay counting with a high-purity germanium detector. Maxwellian-averaged cross sections for s-process thermal energies are extracted. By comparison to reference values, our nucleosynthesis network calculations show that the experimental cross sections have a strong impact on calculated abundances of krypton and neighboring nuclides, in some cases improving agreement between theory and observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Repetitively pulsed nanosecond discharge plasma decay in propane–oxygen gas mixture in the presence of a heating electric field

Plasma decay in the afterglow of a repetitively pulsed nanosecond discharge in a stoichiometric propane–oxygen mixture was experimentally investigated when a weak heating DC electric field was applied and in its absence. The discharge was ignited at room gas temperature and a pressure of 1–2 Torr and was characterized by low specific energy inputs (<0.004 eV per molecule in one pulse). Using microwave interferometry, the temporal evolution of the electron density during plasma decay was studied, and the effective recombination coefficients were obtained from data processing. It was shown that the rate of plasma decay behaved in a non-monotonic manner with increasing degree of propane oxidation; at first the decay rate grew, then passed through a maximum, fell and saturated in the limit of a large (~2000) number of pulses. In this limit, the effect of the heating DC electric field on the plasma decay decreased with approaching chemical equilibrium. Numerical simulation of the observed effects was performed for low and high oxidation degrees of propane taking into account changes in the composition of positive ions in the plasma. Good agreement was obtained between measurements and calculations of the electron density during plasma decay in these cases. Here it was shown that the formation of cluster ions in the discharge afterglow plays a fundamental role. The plasma decay was controlled by electron recombination with hydrocarbon cluster ion at low oxidation degree of propane and with water cluster (hydrated) ions at high oxidation degree. A hypothesis was proposed to explain the observed nonmonotonic behavior of the plasma decay rate with an increase in the propane oxidation in the discharge, based on the formation of hydrated hydrocarbon ions C x H y + (H 2 O) k at moderate oxidation degrees.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Search for charged-lepton flavor violation in the production and decay of top quarks using trilepton final states in proton-proton collisions at $\sqrt{s}$ =13 TeV

A search is performed for charged-lepton flavor violating processes in top quark (𝑡) production and decay. The data were collected by the CMS experiment from proton-proton collisions at a center-of-mass energy of 13 TeV and correspond to an integrated luminosity of 138 fb −1 . The selected events are required to contain one opposite-sign electron-muon pair, a third charged lepton (electron or muon), and at least one jet of which no more than one is associated with a bottom quark. Boosted decision trees are used to distinguish signal from background, exploiting differences in the kinematics of the final states particles. The data are consistent with the standard model expectation. Upper limits at 95% confidence level are placed in the context of effective field theory on the Wilson coefficients, which range between 0.024–0.424 TeV −2 depending on the flavor of the associated light quark and the Lorentz structure of the interaction. These limits are converted to upper limits on branching fractions involving up (charm) quarks, 𝑡 → 𝑒⁢𝜇⁢𝑢 (𝑡 → 𝑒⁢𝜇⁢𝑐), of 0.032⁢(0.498) × 10 −6 , 0.022⁢(0.369) × 10 −6 , and 0.012⁢(0.216) × 10 −6 for tensorlike, vectorlike, and scalarlike interactions, respectively.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Total absorption spectroscopy measurement on neutron-rich 74,75 Cu isotopes

This paper reports on the first β-decay study of 74,75 Cu isotopes using the technique of total absorption spectroscopy (TAS). The experiment was performed at the National Superconducting Cyclotron Laboratory at Michigan State University using the Summing NaI(Tl) (SuN) detector. The Cu isotopes are good candidates to probe the single-particle structure in the region because they have one proton outside the Z = 28 shell. Comparing the β-decay intensity distributions in the daughter Zn isotopes to the theoretical predictions provides a stringent test of the calculations. The nuclei in this region are also identified as playing an important role in the astrophysical r-process. Furthermore, the measured β-decay intensity distributions provide essential nuclear physics inputs required to better understand heavy element nucleosynthesis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

New Limit for Neutrinoless Double-Beta Decay of 100 Mo from the CUPID-Mo Experiment

The CUPID-Mo experiment at the Laboratoire Souterrain de Modane (France) is a demonstrator for CUPID, the next-generation ton-scale cryogenic $0\nu\beta\beta$ experiment. It consists of a 4.2 kg array of 20 enriched Li$_{2}$$^{100}$MoO$_4$ scintillating bolometers to search for the lepton number violating process of $0\nu\beta\beta$ decay in $^{100}$Mo. With more than one year of operation (2.16 kg$\times$yr of physics data), no event in the region of interest and hence no evidence for $0\nu\beta\beta$ is observed. We report a new limit on the half-life of $0\nu\beta\beta$ decay in $^{100}$Mo of $T_{1/2} > 1.5 \times 10^{24}\,$yr at 90 % C.I. The limit corresponds to an effective Majorana neutrino mass $\langle m_{\beta\beta} \rangle$ $<$ (0.3--0.5)$\,$eV, dependent on the nuclear matrix element in the light Majorana neutrino exchange interpretation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗