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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Controlling Interfacial Charge Separation Energetics and Kinetics

The overall goal is to probe electron transfer kinetics of the Marcus inverted region at interfaces. This project specifically uses a dye‐semiconductor interface with a reversible electron transfer reagent in solution where the semiconductor conduction band and electron transfer reagent ideally have a potential energy difference firmly within the Marcus inverted region. The goals of this project are: (Goal 1) Identify dye design elements that give dyes with low energy ground‐state oxidation potentials while retaining desirable electron transfer kinetics at the semiconductor interface. (Goal 2) Identify dye designs with excited‐state oxidation potentials set to fixed energies through molecular design while the dye ground‐state oxidation potentials are varied to allow for the evaluation of varied electron transfer reagents/redox shuttles (RS) with different free energies for electron transfer. (Goal 3) Within the context of the functionality identified in goals 1 and 2, goal 3 seeks to design dyes with features maximizing charge carrier lifetimes by minimizing recombination losses at metal oxide interfaces with high voltage systems. (Goal 4) Probe electron transfer kinetics in a high voltage‐dye sensitized solar cell with both the oxidized dye and RS firmly within the Marcus inverted region with regard to the TiO2 CB. (Goal 5) Identify tailored sensitizer/redox shuttle pairs with desirable electron transfer kinetics in defined spectral regions capable of “banding off” incident solar irradiation to give high voltage multijunction systems capable of exceeding the Shockley‐Queisser limit and powering catalytic processes.

14 SOLAR ENERGY↗
NASA NTRS2008

Kinetic Temperature and Electron Density Measurement in an Inductively Coupled Plasma Torch using Degenerate Four-Wave Mixing

Laser wave mixing is presented as an effective technique for spatially resolved kinetic temperature measurements in an atmospheric-pressure radio-frequency inductively-coupled plasma. Measurements are performed in a 1 kW, 27 MHz RF plasma using a continuous-wave, tunable 811.5-nm diode laser to excite the 4s(sup 3)P2 approaches 4p(sup 3)D3 argon transition. Kinetic temperature measurements are made at five radial steps from the center of the torch and at four different torch heights. The kinetic temperature is determined by measuring simultaneously the line shape of the sub-Doppler backward phase-conjugate degenerate four-wave mixing and the Doppler-broadened forward-scattering degenerate four-wave mixing. The temperature measurements result in a range of 3,500 to 14,000 K+/-150 K. Electron densities measured range from 6.1 (+/-0.3) x 10(exp 15)/cu cm to 10.1 (+/-0.3) x 10(exp 15)/cu cm. The experimental spectra are analyzed using a perturbative treatment of the backward phase-conjugate and forward-geometry wave-mixing theory. Stark width is determined from the collisional broadening measured in the phase-conjugate geometry. Electron density measurements are made based on the Stark width. The kinetic temperature of the plasma was found to be more than halved by adding deionized water through the nebulizer.

Schafer, Julia↗
DOE OSTI2024

Comparing ab initio and quantum-kinetic approaches to electron transport in warm dense matter

Accurate knowledge of the electronic transport properties of warm dense matter is one of the main concerns of research in high-energy-density physics. Three modern approaches with vastly different levels of fidelity are reviewed and compared: the Kubo–Greenwood (KG) approach based on density-functional-theory molecular dynamics simulations (QMD), quantum kinetic theory based on average-atom models, and time-dependent density functional theory. Throughout, emphasis is placed on the connection between static properties of the electrons (e.g., density of states) and transport properties. Overall, it is found that whenever the conduction electrons can be modeled as being nearly free, fair to excellent agreement is found between QMD and kinetic theory approaches. Such a circumstance is required for modeling warm dense matter as a plasma of ions and free electrons, which is assumed in most kinetic theory approaches. The sensitivity of transport properties to the electronic structure is further highlighted by comparing different exchange–correlation approximations in QMD and KG calculations. It is found that the inclusion of exact exchange via thermal hybrid functionals can make a pronounced impact on electrical and thermal conduction in warm dense matter. We also investigate dynamic screening physics via kinetic theory and time-dependent density functional theory calculations of the mean free path of an electron in a hot dense plasma. In sum, we identify three axes along which to make progress in predicting electron transport in warm dense matter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1986

Electron acceleration via kinetic Alfven waves

Obliquely propagating shear Alfven waves are effected by kinetic effects. The polarization and dispersion of these waves are discussed and it is shown that electrons can be effectively accelerated along field lines by these waves. Several nonlinear effects such as solitary waves, nonlinear damping due to current-driven instabilities, and anomalous resistivity are also discussed. Recent observations of electric and magnetic field perturbations on auroral field lines which seem to be related to these waves are described. However, the evidence for the existence of these kinetic Alfven waves is not firm.

Goertz, C. K.↗
NASA NTRS1986

Electron acceleration via kinetic Alfven waves

Kinetic effects on obliquely propagating shear Alfven waves are reviewed. The wave becomes dispersive and carries a significant parallel electric field. The polarization and dispersion of these waves are discussed, showing that electrons can be effectively accelerated along field lines by these waves. Nonlinear effects such as solitary waves, nonlinear damping due to current-driven instabilities, and anomalous resistivity are treated. Observations of electric and magnetic field perturbations on auroral field lines which seem to be related to these waves are studied. Evidence for the existence of these kinetic Alfven waves is not firm.

Goertz, C. K.↗
DOE OSTI2025

Revealing the Influence of Binding Motifs on Electron Transfer and Recombination Kinetics for CdSe Quantum Dots Functionalized with a Modified Viologen

Anchoring of molecules to the surfaces of semiconductor nanocrystals (NCs) presents an opportunity to leverage the precise synthetic tunability of molecular function and the remarkable light harvesting properties of NCs to drive photochemical reactions. However, charge transfer between the two species depends not only on the energy level alignments but also on the details of their binding interactions, which are difficult to probe. Here, in this work, we characterize the binding between CdSe quantum dots (QDs) and a new phosphonated derivative of the electron acceptor methyl viologen, designed to attach to the QD surface via the phosphonate group. We use isothermal titration calorimetry to probe the thermodynamics of the QD–molecule interaction and use the parameters determined therein to analyze transient absorption spectroscopy measurements of forward and back electron transfer from QDs to the viologen. We find that the ligand-like phosphonate binding leads to an electron-transfer rate constant that is 3 orders of magnitude smaller than that for the face-on binding of the bipyridine ring of methyl viologen. Back electron transfer is also significantly slower in the derivative. Interestingly, a minor fraction of the phosphonated derivative also binds in the face-on configuration, with similar forward and back electron transfer kinetics as methyl viologen. Numerical simulations show that the ligand-like binding will lead to significantly improved quantum yields of photocatalysis over a wide range of reaction rates. By independently characterizing binding thermodynamics and charge transfer kinetics, this work reveals how the complexities underlying electron transfer at the NC–molecule interface determine photocatalytic outcomes. This work also represents a step toward controlling forward and back electron transfer kinetics via rational molecular design.

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

Orbit-averaging and deposition accuracy for runaway electron beams in hybrid kinetic-MHD simulations of the runaway plateau

We develop a new procedure that combines the kinetic orbit runaway electron code (KORC) and the NIMROD extended-magnetohydrodynamic code to simulate runaway electrons (REs) in the post-disruption plateau. KORC integrates guiding-center orbits, with a barycentric-based binary search strategy providing initial guesses for the Newton–Raphson logical-to-physical coordinate inversion, ensuring reliable particle-to-mesh mapping in NIMROD, whose fields remain static for the present study. Samples are drawn in accord with experimental parallel current profiles of RE beams during the plateau phase. Deposition in NIMROD is verified through comparison with a Python-based finite-element code that ensures periodicity in the poloidal direction and continuity at the magnetic axis. Accurate representation of near-axis fields requires finer mesh resolution to prevent under- and overshoots in current density from orbit inaccuracies. Yet, at a fixed particle count, increasing mesh resolution amplifies statistical noise in the deposited fields. An orbit-averaging method accumulates partial current deposits over multiple kinetic steps and reduces the statistical noise with little added computational cost. By coupling kinetic routines from KORC directly into the NIMROD codebase, these developments lay essential groundwork for future self-consistent KORC–NIMROD coupling.

Algorithms and data structure↗
NASA NTRS1979

Annealing kinetics of electron-irradiated GaAs heteroface solar cells in the range 175-200 C

Annealing of electron-irradiation damage in GaAs solar cells is important for space applications. This paper describes studies conducted to understand this annealing process. GaAs heteroface solar cells were irradiated with 10 to the 15th 1-MeV electrons/sq cm followed by thermal annealing. An activation energy for annealing of 1.25 + or - 0.14 eV and a frequency factor of (3.7 + or - 1.9) x 10 to the 9th per sec were determined. A small component of the irradiation damage which does not anneal measurably at 200 C was observed.

Walker, G. H.↗
NASA NTRS1980

Iodine monofluoride emission spectrum and formation kinetics in electron-beam-produced plasmas

The observation of intense blue-green spontaneous emission attributed to IF from electron-beam-excited Ar/CF3I/NF3 gas mixtures is reported. Intense emission from a structured band centered at a wavelength of 484 nm was observed when mixtures of 2000-4000 Torr AR (or He or Ne), 3 Torr CF3I and 1 Torr NF3 (or F2) were irradiated with a 3-nsec FWHM electron beam. Analysis of ICl and IBr spectra, which the present spectrum closely resembles, indicates that the 484-nm emission originates from the E to A 3 pi 1 transition of IF. Examination of the time dependence of metastable IF and I2 emission reveals that the IF (E) level is formed primarily by excitation transfer from metastable I(4P) states. The fluorescence efficiency of the E-A transition and the radiative lifetime of the metastable IF (E) state are estimated to be approximately 6% and 15 nsec, respectively, and it is suggested that metastable IF is an attractive candidate for a blue-green laser.

Hutchison, S. B.↗
NASA NTRS1989

Pulsed, high-current, in-line reversal electron attachment detector

A new, pulsed, high-current, in-line reversal electron attachment ionizer/detector is described. The ionizer is capable of delivering a beam of electrons into an electrostatic mirror field to form a planar wall of electrons having zero kinetic energy. Electron attachment to a molecular target at the reversal point produces either parent or fragment negative ions through a zero-energy (s-wave) state. The atomic or molecular ion is pulsed out of the attachment region approximately 2 microsec after the electrons are pulsed off, and focused onto the entrance plane of a quadrupole mass analyzer. The sensitivity of the apparatus is preliminarily assessed, and its higher-energy behavior with regard to molecular attachment and ionization is described.

Bernius, Mark T.↗
NASA NTRS1992

Kinetic description of electron beams in the solar chromosphere

We formulate the relativistic Fokker-Plank equation for a beam of accelerated electrons interacting with a partially ionized plasma. In our derivation we conserved those terms contributing to velocity diffusion and found that this effect cannot be neglected a priori. We compute the terms accounting for elastic and inelastic collisions with neutral hydrogen and helium. Collisions with neutral hydrogen are found to be dominant throughout the chromosphere, except at the uppermost layers close to the transition region. As an application, we compute the loss of energy and momentum for a power-law beam impinging on the solar chromosphere, for a particular case in which the Fokker-Planck equation can be integrated analytically. We find that most of the beam energy is deposited in a relatively thin region of the chromosphere, a result which is largely insensitive to the theoretical method employed to compute the energy deposition rate.

Gomez, Daniel O.↗
NASA NTRS2001

Kinetic Alfven Wave Electron Acceleration on Auroral Field Lines

Major results of the S3-3 Langmuir sweep study are published. Studies show statistics and average density and temperature variation on auroral field lines up to 8000 km altitude. Alfven wave papers were published. Our model of Alfven wave propagation on auroral field lines was successfully extended to handle varying density and magnetic field for the inertial mode. The study showed that Alfven wave can create time-dispersed electron signatures. A study was undertaken to extend Langmuir sweep I-V curves to handle the case of an kappa electron distribution as well as Maxwellian. The manuscript is in preparation. Participated in International Space Science Institute study of Alfvenic structures which resulted in a group review paper. The proposed work was to develop an extended model of Alfven wave propagation along auroral field lines to study electron acceleration. As part of this work, a major task was to characterize density and temperature along auroral field lines by using spacecraft Langmuir sweep data. The work that was completed under this funding was successful at both tasks. Three papers have been published as part of this work and a fourth manuscript is in preparation.

Kletzing, Craig A.↗