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Results for “charge yield”

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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

The 15 cm mercury ion thruster research 1975

Doubly charged ion current measurements in the beam of a SERT II thruster are shown to introduce corrections which bring its calculated thrust into close agreement with that measured during flight testing. A theoretical model of doubly charged ion production and loss in mercury electron bombardment thrusters is discussed and is shown to yield doubly-to-singly charged ion density ratios that agree with experimental measurements obtained on a 15 cm diameter thruster over a range of operating conditions. Single cusp magnetic field thruster operation is discussed and measured ion beam profiles, performance data, doubly charged ion densities, and discharge plasma characteristics are presented for a range of operating conditions and thruster geometries. Variations in the characteristics of this thruster are compared to those observed in the divergent field thruster and the cusped field thruster is shown to yield flatter ion beam profiles at about the same discharge power and propellant utilization operating point. An ion optics test program is described and the measured effects of grid system dimensions on ion beamlet half angle and diameter are examined. The effectiveness of hollow cathode startup using a thermionically emitting filament within the cathode is examined over a range of mercury flow rates and compared to results obtained with a high voltage tickler startup technique. Results of cathode plasma property measurement tests conducted within the cathode are presented.

Wilbur, P. J.↗
DOE OSTI2021

Cross-Platform Classifier of Chemical Stability for Charged Redoxmers

The development of new redox flow battery chemistries is hampered by time-consuming organic syntheses and electrochemical characterization of candidate redoxmer molecules. Here, we use Sure Independence Screening and Sparsifying Operator (SISSO) to demonstrate a cross-platform classifier for chemical stability of charged redoxmers in electrolyte solutions. This SISSO model yields a single formula to separate positively charged dialkoxyarene catholytes and negatively charged pyridinium anolytes into stable and unstable species in acetonitrile-based electrolytes as probed through cyclic voltammetry measurements. Using such classifiers, the stability of new compounds across different synthetic platforms can be rapidly assessed.

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

The geometric theory of charge conservation in particle-in-cell simulations

In recent years, several gauge-symmetric particle-in-cell (PIC) methods have been developed whose simulations of particles and electromagnetic fields exactly conserve charge. While it is rightly observed that these methods’ gauge symmetry gives rise to their charge conservation, this causal relationship has generally been asserted via ad hoc derivations of the associated conservation laws. In this work, we develop a comprehensive theoretical grounding for charge conservation in gauge-symmetric Lagrangian and Hamiltonian PIC algorithms. For Lagrangian variational PIC methods, we apply Noether’s second theorem to demonstrate that gauge symmetry gives rise to a local charge conservation law as an off-shell identity. For Hamiltonian splitting methods, we show that the momentum map establishes their charge conservation laws. We define a new class of algorithms – gauge-compatible splitting methods – that exactly preserve the momentum map associated with a Hamiltonian system’s gauge symmetry – even after time discretization. This class of algorithms affords splitting schemes a decided advantage over alternative Hamiltonian integrators. We apply this general technique to design a novel, explicit, symplectic, gauge-compatible splitting PIC method, whose momentum map yields an exact local charge conservation law. Finally, our study clarifies the appropriate initial conditions for such schemes and examines their symplectic reduction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1983

Interpreting the solar wind ionization state

The ionization state of the solar coronal expansion is frozen within a few solar radii of the solar photosphere, and spacecraft measurements of the solar wind heavy ion charge state can therefore yield information about coronal conditions (e.g., electron temperature). Previous interpretations of the frozen-in ionization state have always assumed that in the coronal freezing-in region, (1) all heavy ions flow at the same bulk speed as protons, (2) the electron velocity distribution function is Maxwellian, and (3) conditions vary in space but not in time. The consequences of relaxing these assumptions for the interpretation of solar wind charge state measurements are examined. It is found that: (1) the temperature inferred by traditional interpretation of the interplanetary ionization state overestimates (underestimate) the actual coronal electron temperature if higher ion charge stages flow systematically faster (slower) than lower stages at the coronal freezing radius; (2) temperatures inferred from relative abundance measurements of ion-charge-stages with high ionization potentials moderately overestimate the actual coronal electron temperature if the high-energy tail of the coronal electron velocity distribution is enhanced relative to a Maxwellian distribution; (3) the propagation of a disturbance, e.g., a shock wave, through the corona can strongly affect the frozen-in charge state, but only over a time (a few times ten minutes) corresponding to the coronal transit time for the disturbance.

Owocki, S. P.↗
DOE OSTI2020

Charge transfer rate constants for the carotenoid-porphyrin-C 60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation

Charge transfer rate constants were calculated for the carotenoid-porphyrin-C 60 (CPC 60 ) molecular triad dissolved in explicit tetrahydrofuran. The calculation was based on mapping the all-atom anharmonic Hamiltonian of this system onto the spin-boson Hamiltonian. The mapping was based on discretizing the spectral density from the time correlation function of the donor–acceptor potential energy gap, as obtained from all-atom molecular dynamics simulations. Different spin-boson Hamiltonians were constructed for each of the possible transitions between the three excited electronic states in two different triad conformations. The rate constants of three possible transitions were calculated via the quantum-mechanically exact Fermi’s golden rule (FGR), as well as a progression of more approximate expressions that lead to the classical Marcus expression. The advantage of the spin-boson approach is that once the mapping is established, the quantum-mechanically exact FGR and the hierarchy of approximations are known in closed form. The classical Marcus charge transfer rate constants obtained with the spin-boson Hamiltonians were found to reproduce those obtained from all-atom simulations with the linearized semiclassical approximation, thereby confirming the equivalence of the two approaches for this system. Furthermore, within the spin-boson Hamiltonian, we also found that the quantum-mechanically exact FGR rate constants were significantly enhanced compared to the classical Marcus theory rate constants for two out of three transitions in one of the two conformations under consideration. The results confirm that mapping to the spin-boson model can yield accurate predictions for charge transfer rate constants in a system as complex as CPC 60 dissolved in tetrahydrofuran.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Quantifying the relationship between electric field enhancement and plasmon-driven electron transfer

Plasmonic materials interact strongly with light to create localized, out-of-equilibrium environments with intense electromagnetic fields known as hotspots. After forming, hotspots dissipate energy into their surroundings and can transfer energy and charge carriers to nearby molecules, giving plasmonic materials the potential to drive reactions with sunlight. However, the field needs a better mechanistic understanding of plasmon–molecule interactions and how the local plasmon environment, specifically the electromagnetic field enhancement and spatial distribution of hotspots, impacts the reaction yield. Here, in this work, we mapped plasmon-driven charge transfer across ordered plasmonic substrates using diffraction-limited surface-enhanced Raman spectroscopy (SERS) microscopy to understand the relationship between the average local electric field enhancement and charge transfer reaction yield. We tracked the plasmon-induced electron transfer to buckminsterfullerene (C 60 ) and found that areas with the greatest SERS intensity were not the areas with the greatest ensemble-averaged reduction of C 60 , suggesting that areas with higher electric field enhancement—or “hotter,” more enhancing hotspots—do not improve the charge transfer reaction yield. This work shows that efforts to improve plasmon-driven charge transfer should not merely focus on creating substrates with extremely enhancing regions but also consider how other factors could optimize photoreduction yields.

Koble, MaKenna M. [Univ. of Minnesota, Minneapolis↗
NASA NTRS2006

Ab initio Quantum Chemical Studies of Reactions in Astrophysical Ices. Reactions Involving CH3OH, CO2, CO, HNCO in H2CO/NH3/H2O Ices

While reactions between closed shell molecules generally involve prohibitive barriers in the gas phase, prior experimental and theoretical studies have demonstrated that some of these reactions are significantly enhanced when confined within an icy grain mantle and can occur efficiently at temperatures below 100 K with no additional energy processing. The archetypal case is the reaction of formaldehyde (H2CO) and ammonia (NH3) to yield hydroxymethylamine (NH2CH2OH). In the present work we have characterized reactions involving methanol (CH3OH), carbon dioxide (CO2), carbon monoxide (CO), and isocyanic acid (HNCO) in search of other favorable cases. Most of the emphasis is on CH3OH, which was investigated in the two-body reaction with one H2CO and the three-body reaction with two H2CO molecules. The addition of a second H2CO to the product of the reaction between CH3OH and H2CO was also considered as an alternative route to longer polyoxymethylene polymers of the -CH2O- form. The reaction between HNCO and NH3 was studied to determine if it can compete against the barrierless charge transfer process that yields OCN(-) and NH4(+). Finally, the H2CO + NH3 reaction was revisited with additional benchmark calculations that confirm that little or no barrier is present when it occurs in ice.

Woon, David E.↗
DOE OSTI2022

Measurement of K*(892) ± production in inelastic pp collisions at the LHC

The first results on K*(892) ± resonance production in inelastic pp collisions at LHC energies of √s = 5.02, 8, and 13 TeV are presented. The K*(892) ± has been reconstructed via its hadronic decay channel K*(892)→±K$^0_S$ +π ± with the ALICE detector. Measurements of transverse momentum distributions, p T -integrated yields, and mean transverse momenta for charged K*(892) are found to be consistent with previous ALICE measurements for neutral K*(892) within uncertainties. For p T >1 GeV/c the K*(892) ± transverse momentum spectra become harder with increasing centre-of-mass energy from 5.02 to 13 TeV, similar to what previously observed for charged kaons and pions. For p T < GeV/c the K*(892) ± yield does not evolve significantly and the abundance of K*(892) ± relative to K is rather independent of the collision energy. The transverse momentum spectra, measured for K*(892) ± at midrapidity in the interval 0 < p T <15 GeV/c, are not well described by predictions of different versions of PYTHIA 6, PYTHIA 8 and EPOS-LHC event generators. These generators reproduce the measured p T -integrated K *± /K ratios and describe well the momentum dependence for p T <2 GeV/c.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Modeling Si/SiGe quantum dot variability induced by interface disorder reconstructed from multiperspective microscopy

SiGe heteroepitaxial growth yields pristine host material for quantum dot qubits, but residual interface disorder can lead to qubit-to-qubit variability that might pose an obstacle to reliable SiGe-based quantum computing. By convolving data from scanning tunneling microscopy and high-angle annular dark field scanning transmission electron microscopy, we reconstruct 3D interfacial atomic structure and employ an atomistic multi-valley effective mass theory to quantify qubit spectral variability. The results indicate (1) appreciable valley splitting (VS) variability of ~50% owing to alloy disorder and (2) roughness-induced double-dot detuning bias energy variability of order 1–10 meV depending on well thickness. For measured intermixing, atomic steps have negligible influence on VS, and uncorrelated roughness causes spatially fluctuating energy biases in double-dot detunings potentially incorrectly attributed to charge disorder. Our approach yields atomic structure spanning orders of magnitude larger areas than post-growth microscopy or tomography alone, enabling more holistic predictions of disorder-induced qubit variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Description of longitudinal space charge effects in beams and plasma through dielectric permittivity

We develop a universal framework which allows quickly solve a wide class of problems for longitudinal space charge effects in beams and plasmas in cylindrical geometry. We introduce the longitudinal dielectric permittivity for the beam of charged particles, which describes its collective space charge response. The analysis yields an effective plasma frequency, which depends on the transverse geometry of the system. This dielectric permittivity mirrors the dielectric permittivity of plasma and matches the one dimensional (1D) expression once the transverse size of the beam is large. Several particle species can be included as additive terms describing susceptibility of each specie. The developed approach allows to study stability criteria for collective beam-beam and beam-plasma instabilities for arbitrary transverse distributions in particle densities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Emergence of Long-Range Angular Correlations in Low-Multiplicity Proton-Proton Collisions

This Letter presents the measurement of near-side associated per-trigger yields, denoted ridge yields, from the analysis of angular correlations of charged hadrons in proton-proton collisions at s = 13 TeV . Long-range ridge yields are extracted for pairs of charged particles with a pseudorapidity difference of 1.4 < | Δ η | < 1.8 and a transverse momentum of 1 < p T < 2 GeV / c , as a function of the charged-particle multiplicity measured at midrapidity. This Letter extends the measurements of the ridge yield to the low multiplicity region, where in hadronic collisions it is typically conjectured that a strongly interacting medium is unlikely to be formed. The precision of the new low multiplicity results allows for the first direct quantitative comparison with the results obtained in e + e − collisions at s = 91 GeV and s = 183 – 209 GeV , where initial-state effects such as preequilibrium dynamics and collision geometry are not expected to play a role. In the multiplicity range 8 ≲ ⟨ N ch ⟩ ≲ 24 where the e + e − results have good precision, the measured ridge yields in p p collisions are substantially larger than the limits set in e + e − annihilations. Consequently, the findings presented in this Letter suggest that the processes involved in e + e − annihilations do not contribute significantly to the emergence of long-range correlations in p p collisions. © 2024 CERN, for the ALICE Collaboration 2024 CERN

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Direct-photon production in inelastic and high-multiplicity proton–proton collisions at $\sqrt{s}$ = 13 TeV

In this letter, we present the first measurement of direct photons at the transverse momentum of 1 < 𝑝 T < 6 GeV/𝑐 at midrapidity 𝜂 < 0.8 in inelastic and high-multiplicity proton–proton collisions at a centre-of-mass energy of $\sqrt{s}$ = 13 TeV. The fraction of virtual direct photons in the inclusive virtual photon spectrum is obtained from a fit to the dielectron invariant mass spectrum. In the limit of zero invariant mass, this fraction is equal to the relative contribution of real direct photons in the inclusive real photon spectrum. Contributions from decays of light- flavour neutral mesons are estimated using independent measurements in proton–proton collisions at the same energy and the same event class. For the first time at the LHC energies, a direct-photon signal is observed at low 𝑝T in both inelastic and high-multiplicity event classes, with a significance of 3.2𝜎 and 1.9𝜎 in terms of standard deviations, correspondingly. The yield of direct photons in inelastic pp collisions is compared to perturbative QCD calculations. The integrated photon yield is studied as a function of charged-particle multiplicity and is compared to the results from other experiments and theoretical calculations. The results show a significant increase of direct- photon yield with charged-particle multiplicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Efficient light-emitting diodes based on oriented perovskite nanoplatelets

Solution-processed planar perovskite light-emitting diodes (LEDs) promise high-performance and cost-effective electroluminescent devices ideal for large-area display and lighting applications. Exploiting emission layers with high ratios of horizontal transition dipole moments (TDMs) is expected to boost the photon outcoupling of planar LEDs. However, LEDs based on anisotropic perovskite nanoemitters remain to be inefficient (external quantum efficiency, EQE <5%) due to the difficulties of simultaneously controlling the orientations of TDMs, achieving high photoluminescence quantum yields (PLQYs) and realizing charge balance in the films of assembled nanostructures. Here, we demonstrate efficient electroluminescence from an in situ grown perovskite film composed of a monolayer of face-on oriented nanoplatelets. The ratio of horizontal TDMs of the perovskite nanoplatelet film is ~84%, which leads to a light-outcoupling efficiency of ~31%, substantially higher than that of isotropic emitters (~23%). In consequence, LEDs with a peak EQE of 23.6% are achieved, representing highly efficient planar perovskite LEDs.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Lorentz-invariant formulation of Cherenkov radiation by tachyons

Previous treatments of Cherenkov radiation, electromagnetic and gravitational, by tachyons were in error because the prescription employed to cut off the divergent integral over frequency is not a Lorentz invariant procedure. The resulting equation of motion for the tachyon is therefore not covariant. The proper procedure requires an extended, deformable distribution of charge or mass and yields a particularly simple form for the tachyon's world line, one that could be deduced from simple invariance considerations. It is shown that Cherenkov radiation by tachyons implys their ultimate annihilation with an antitachyon and demonstrates a disturbing property of tachyons, namely the impossibility of specifying arbitrary Cauchy data even in a purely classical theory.

Jones, F. C.↗
NASA NTRS1984

Space experiments with particle accelerators

Electron and plasma beams and neutral gas plumes were injected into the space environment by instruuments on Spacelab 1, and various diagnostic measurements including television camera observations were performed. The results yield information on vehicle charging and neutralization, beam-plasma interactions, and ionization enhancement by neutral beam injection.

Obayashi, T.↗
NASA NTRS1989

Deep-level transient spectroscopy of Al(x)Ga(1-x)As/GaAs using nondestructive acousto-electric voltage measurement

The amplitude and the transient time constant of the acoustoelectric voltage were measured as a function of temperature to determine the activation energy of deep levels in Al(x)Ga(1-x)As/GaAs grown by molecular-beam epitaxy. In comparison to other methods based on monitoring the capacitance transient, deep-level transient spectroscopy has several advantages. The technique is nondestructive and highly sensitive, and, because of the dependence of the polarity of the acoustoelectric voltage on the carrier type, it yields information about the charge of the transient carriers and the type of deep traps involved in the release or trapping of these carriers.

Tabib-Azar, Massood↗
NASA NTRS1992

A simulation study of multiple ion wave generation downstream of low Mach number quasiperpendicular shocks

The behavior of minor ions just downstream of a low Mach number quasi-perpendicular shock is investigated both theoretically and by computer simulations. Because all ions see the same cross shock electric field their deceleration depends on their charge to mass ratio, yielding different downstream velocities. It is shown that these differences in velocity can lead to coherent wave structures in the downstream region of quasi-perpendicular shocks with a narrow transition layer. These waves are shown to be multi ion hybrid waves in contrast to mirror waves and ion cyclotron waves. Under favorable conditions these waves should be observable both at interplanetary shocks and at planetary bowshocks.

Motschmann, Uwe↗
DOE OSTI2021

Self-assembly method for core/shell nanoparticles with enhanced emission

A core/shell nanoparticle with enhanced emission comprises a fluorescent conjugated polymer core that is encapsulated by an amphiphilic block copolymer shell. The core/shell nanoparticle structure confines the electronic charge to improve quantum yield and is water soluble to enable low-cost and environmentally friendly processing.

Fan, Hongyou↗