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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Comment on “Non-PGM electrocatalysts for PEM fuel cells: effect of fluorination on the activity and stability of a highly active NC_Ar + NH 3 catalyst” by Gaixia Zhang, Xiaohua Yang, Marc Dubois, Michael Herraiz, Régis Chenitz, Michel Lefèvre, Mohamed Cherif, François Vidal, Vassili P. Glibin, Shuhui Sun and Jean-Pol Dodelet, Energy Environ. Sci. , 2019, 12 , 3015–3037, 10.1039/C9EE00867E

Proper kinetic and thermodynamic models are important in addressing durability as a major issue facing PGM-free ORR electrocatalysts.

Yin, Xi↗
DOE OSTI2022

Full-dimensional quantum studies of vibrational energy transfer dynamics between H 2 O and Ar: theory assessing experiment

In this work we report the first full-dimensional quantum mechanical calculations of the ro-vibrational inelastic scattering dynamics between water molecules and argon atoms on an accurate potential energy surface, using a recently developed time-independent quantum method based on the close-coupling approach. The state-to-state integral cross-sections and rate coefficients show strong observance of gap laws. The calculated thermal rate coefficients for the relaxation of the stretching fundamental states of H 2 O are in good agreement with experimental values, while those for the bending overtone state are approximately five times smaller than the values extracted through a previous kinetic modeling of fluorescence decay data. Our state-specific quantum scattering results suggest the need to reassess the kinetic modeling of the experimental data. This work advanced our understanding of the quantum dynamics of vibrationally inelastic energy transfer processes involving polyatomic molecules.

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

Four-electron oxidation and one-electron reduction of the bis(terphenylthiolate) U( II ) complex, U(SAr iPr6 ) 2 [Ar iPr6 = C 6 H 3 -2,6-(C 6 H 2 -2,4,6- i Pr 3 ) 2 ]

Here, the utility of the sterically bulky terphenylthiolate ligand, (SAr iPr6 ) 1− in expanding uranium reductive chemistry has been explored. Reduction of U(SAr iPr6 ) 2 I forms the U(II) complex, U(SAr iPr6 ) 2 , in which the metal is protected by the flanking arene rings of the ligand, but they move out of the way to accommodate the four electron reduction of PhN=NPh to form the U(VI) bis(imido) product U(SAr iPr6 ) 2 (=NPh) 2 (THF) 2 . Here, the KC 8 reduction of U(SAr iPr6 ) 2 generates a more reduced complex, KU(μ-SAr iPr6 ) 2 , initially identified by a −2.55 V vs. Fc + /Fc electrochemical reduction event in THF.

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

Estimate of pre-thermal quench non-thermal electron density profile during Ar pellet shutdowns of low-density target plasmas in DIII-D

The radial density profile of pre-thermal quench (pre-TQ) early-time runaway electrons (REs) is estimated by combining electron cyclotron emission (ECE) and soft x-ray (SXR) data during rapid shutdown of low-density (n e ≲ 10 13 cm -3 ) DIII-D target plasmas with cryogenic argon pellet injection. This technique is limited in these experiments to the pre-TQ phase and quickly loses validity during the TQ. Two different cases are studied: a high (10 keV) temperature target and a lower (4 keV) temperature target. The results indicate that early-time, low-energy (~10 keV) REs form ahead of the argon pellet as it enters the plasma, affecting the pellet ablation rate; it is hypothesized that this may be caused by rapid cross-field transport of argon ions ahead of the pellet. Fokker-Planck modeling of the two shots suggests that the RE current is quite significant during the pre-TQ phase (up to 50% of the total current). Comparison between modeled pre-TQ RE current and post-TQ RE current inferred from avalanche theory suggests that RE current increases during the high temperature target TQ but decreases during the low temperature target TQ. Here, the uncertainties in this estimate are large; but, if true, this suggests that TQ loss of REs can be larger than previously estimated in DIII-D.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Electrical and thermal characteristics of LaB6 thermionic hollow cathodes operating in He, D2, Ar, and Xe at 4–200 Pa and 0.25–5 A cm−2

We report characteristics of lanthanum hexaboride (LaB6) cathodes for conditions relevant to a high-voltage, high-current switching device. LaB6 is selected because of its relatively low work function, stability in the presence of many common gas impurities, and a low evaporation rate (long life) at operating temperatures. We have investigated the effect of cathode geometry, gas type, pressure, and current on a LaB6 hollow cathode in a diode configuration with an opposing planar anode. The gas is stagnant at a relatively low pressure of 4–200 Pa (0.03–1.5 Torr) because of device high-voltage standoff requirements. In all cases, the plasma voltage decreases to a plateau value with increasing current where a practical device would operate. The plateau voltage aligns with the fill gas excitation or ionization voltage, depending on conditions. At high current, the cathode temperature exceeds that required for thermionic emission to supply the total current, a behavior that is understood by accounting for back-diffusing bulk electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

AR reactor neutronics multi-code validation*

The affordable, robust, compact (ARC) reactor is a tokamak fusion reactor concept currently under development by Commonwealth Fusion Systems and Massachusetts Institute of Technology. There are three important neutronics considerations for the operation of the ARC reactor: (1) breeding of enough tritium in the blanket to sustain the D–T reaction in the plasma; (2) ensuring low fluence on the superconducting toroidal field coils; and (3) assessing neutron volumetric heating in structural components. Here, this work aims to perform a validation of the neutronics analysis approach by code-to-code comparison. State-of-the-art software stacks are employed for the neutronics analysis of the ARC reactor, and a computer-aided design (CAD) model is used directly for Monte Carlo (MC) neutron transport calculations. Three software stacks, Attila-MCNP, OpenMC-DAGMC, and Shift-DAGMC, are used to perform neutronic analyses of a 90° sector CAD model of the ARC reactor. In conclusion, results show that the flux tallies calculated by the three software stacks are very close. Also, the volumetric heating and tritium breeding values have less than 0.6% relative difference between codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Towards modelling AR Sco: calibration – reproducing high-energy pulsar emission and testing convergence to Aristotelian electrodynamics

In recent years, kinetic simulations have been crucial to further our understanding of pulsar electrodynamics. Yet, due to the large-scale separation between the gyro-period and the stellar rotation period, resolving the particle gyration has been computationally unfeasible for realistic pulsar parameters. The main aim of this work is comparing our gyro-phase-resolved model with a gyro-centric pulsar model, where our model solves the general equations of motion with included radiation reaction using a higher order numerical solver with adaptive time-steps. Specifically, we aim to (i) reproduce a pulsar’s high-energy emission maps, namely one with 10 per cent of the surface B-field strength of Vela, and the spectra produced by an independent gyro-centric pulsar emission model; and (ii) test convergence of these results to the radiation-reaction limit of Aristotelian electrodynamics. (iii) Additionally, we identify the effect that a large $E_{\parallel }$-field has on the trajectories and radiation calculations. We find that we can reproduce the curvature radiation emission maps and spectra well, using 10 per cent field strengths of the Vela pulsar and injecting our particles at a higher altitude in the magnetosphere. Using sufficiently large $E_{\parallel }$-fields, our numeric results converge to the analytic radiation-reaction limit trajectories. Additionally, we illustrate the importance of accounting for the $\mathbf {E}\times \mathbf {B}$-drift in the particle trajectories and radiation calculations, validating the Harding and collaborators’ model approach. Lastly, we found that our model deals very well with the high-radiation-reaction and high-field regimes present in pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Quantum beats in two-color photoionization to the spin-orbit split continuum of Ar

We report a study of the quantum beats in two-color photoionization of argon. An attosecond extreme ultraviolet pulse train prepares an electronic wave packet of definite odd parity, with total angular momentum J = 1, targeting the states between 14.0 and 14.5 eV from the ground state. Two-photon ionization of this wave packet with a tunable infrared probe pulse makes the constituent states interfere in both continuum channels, corresponding to the core angular momenta j c = 1/2 and 3/2, respectively. We analyze photoelectron spectrograms as a function of the time delay of the probe pulse and identify oscillations due to several pairs of states through Fourier decomposition. We observe phase differences between the corresponding beat signals in the two spin-orbit split continua. Comparison of theoretical simulations with the experimental measurements allows us to interpret the amplitudes and phases of ionization signals. Furthermore, we express the observed phase differences in terms of the off-diagonal elements of the short-range scattering matrix and the dipole matrix elements to the continuum eigenchannels.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Measurement of the Ar ( e , e ' p ) and Ti ( e , e ' p ) cross sections in Jefferson Lab Hall A

The E12-14-012 experiment, performed in Jefferson Lab Hall A, has collected exclusive electron-scattering data ( e , e ' p ) in parallel kinematics using natural argon and natural titanium targets. In this study we report the first results of the analysis of the data set corresponding to beam energy 2222 GeV, electron scattering angle 21 . 5 ° , and proton emission angle – 50 ° . The differential cross sections, measured with ≈ 4 % uncertainty, have been studied as a function of missing energy and missing momentum, and compared to the results of Monte Carlo simulations, obtained from a model based on the distorted-wave impulse approximation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗