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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Excitons in Hematite Fe 2 O 3 : Short-Time Dynamics from TD-DFT and Non-Adiabatic Dynamics Theories

We present a first-principles study of the short-time dynamics of excitons in hematite Fe 2 O 3 . We used time-dependent density functional theory (TD-DFT) with an underlying DFT+U treatment of electron interactions to characterize the electronic structure of excitons and nonadiabatic molecular dynamics theory (NA-MD) to determine their recombination (electronic ground-state recovery) and relaxation dynamics. Decoherence-corrected trajectory surface hopping approaches in NA-MD simulations yielded recovery times of ~1.1 to 1.8 ns and “higher-lying” exciton relaxation times of ~60 to 70 fs, in accord with experimentally derived lifetimes. With hematite phonons in the range of ~100 to 700 cm –1 , higher-lying excitons relax within one or two oscillations of the phonons before getting trapped into an electron–hole pair Exc-3 structure on the first excited state potential energy surface. This structure resembles already a pair of polarons (electron polaron plus hole polaron) with associated lattice distortions three (3) basal planes away. On longer time scales, the electron–hole bipolaronic pair hops to structures Exc-5, then Exc-7, then Exc-9, ... with the electron polaron and hole polaron separated by 5, 7, 9, ... basal planes in a process of charge separation. The largest frequency phonon ~672 cm –1 for the Exc-3 exciton structure is associated with the electron polaron moiety of the exciton. This phonon is a good candidate for giving rise to the recently observed and reported postexcitation transient IR absorption peak.

36 MATERIALS SCIENCE↗
NASA NTRS1971

Radiative interactions of electrons with matter

Equipment and capabilities developed in investigation of K and L shell ionization cross sections, X ray intensity ratios, bremsstrahlung spectrum, coincidence, and inelastic electron scattering

Quarles, C. A.↗
NASA NTRS1974

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

The photoelectron asymmetry parameter beta in LS-coupling is obtained as an expansion into contributions from alternative angular momentum transfers j sub t. The physical significance of this expansion of beta is shown to be that: (1) the electric dipole interaction transfers to the atom a charcteristic single angular momentum j sub t = sub o, where sub o is the photoelectron's initial orbital momentum; and (2) angular momentum transfers indicate the presence of anisotropic interaction of the outgoing photoelectron with the residual ion. For open shell atoms the photoelectron-ion interaction is generally anisotropic; photoelectron phase shifts and electric dipole matrix elements depend on both the multiplet term of the residual ion and the total orbital momentum of the ion-photoelectron final state channel. Consequently beta depends on the term levels of the residual ion and contains contributions from all allowed values of j sub t. Numerical calculations of the asymmetry parameters and partial cross sections for photoionization of atomic sulfur are presented.

Dill, D.↗
NASA NTRS1982

The measurement of lightning environmental parameters related to interaction with electronic systems

The measurement of electromagnetic fields and related quantities in a lightning environment is a challenging problem, especially at high frequencies and/or in the immediate vicinity of the lightning arcs and corona. This paper reviews the techniques for accomplishing such measurements in these regimes with examples. These sensors are often the same as for the nuclear electromagnetic pulse (EMP), but significant differences also appear.

Baum, C. E.↗
NASA NTRS2022

Lower-Hybrid Wave Structures and Interactions With Electrons Observed in Magnetotail Reconnection Diffusion Regions

We investigate waves close to the lower-hybrid frequency in 12 magnetotail reconnection electron diffusion region (EDR) events with guide field levels of near-zero to 30%. In about half of the events, the wave vector has a small component along the current sheet normal, consistent with known lower-hybrid drift wave properties, but the perpendicular magnetic field fluctuations can be comparable or greater than the parallel component, a feature unique to the waves inside and adjacent to EDRs. Another new wave property is that the wave vector has a significant component along the current sheet normal in some events and completely along the normal for one event. In 1/4of the events, the ∇∙𝑷(sub 𝑒) term has a significant contribution to the wave electric field, possibly a feature of lower-hybrid waves more likely to exist in the diffusion region than further away from the X-line. Electron temperature variations are correlated with the wave potential, due to wave electric field acceleration and crossings at the corrugated separatrix region with different amounts of mixing between reconnection inflowing and outflowing populations. The latter also leads to the anti-correlation between parallel and perpendicular temperature components. Using four-spacecraft measurements, the magnetic field line twisting is demonstrated by the correlated fluctuations in (∇×𝑽(sub 𝐸×𝐵))||and (∇×𝐁)||. The lower-hybrid wave in the EDR of weak guide field reconnection may be generated near separatrices and penetrate to the mid-plane or locally generated, and the latter possibility is beyond the prediction of previous reconnection simulations.

Magnetic reconnection↗
NASA NTRS2023

Electron Acceleration and Heating during Magnetic Reconnection in the Earth's Quasi-parallel Bow Shock

We perform a 2.5-dimensional particle-in-cell simulation of a quasi-parallel shock, using parameters for the Earth's bow shock, to examine electron acceleration and heating due to magnetic reconnection. The shock transition region evolves from the ion-coupled reconnection dominant stage to the electron-only reconnection dominant stage, as time elapses. The electron temperature enhances locally in each reconnection site, and ion-scale magnetic islands generated by ion-coupled reconnection show the most significant enhancement of the electron temperature. The electron energy spectrum shows a power law, with a power-law index around 6. We perform electron trajectory tracing to understand how they are energized. Some electrons interact with multiple electron-only reconnection sties, and Fermi acceleration occurs during multiple reflections. Electrons trapped in ion-scale magnetic islands can be accelerated in another mechanism. Islands move in the shock transition region, and electrons can obtain larger energy from the in-plane electric field than the electric potential in those islands. These newly found energization mechanisms in magnetic islands in the shock can accelerate electrons to energies larger than the achievable energies by the conventional energization due to the parallel electric field and shock drift acceleration. This study based on the selected particle analysis indicates that the maximum energy in the nonthermal electrons is achieved through acceleration in ion-scale islands, and electron-only reconnection accounts for no more than half of the maximum energy, as the lifetime of sub-ion-scale islands produced by electron-only reconnection is several times shorter than that of ion-scale islands.

Solar magnetic reconnection↗
DOE OSTI2025

Dark-Matter–Electron Detectors for Dark-Matter–Nucleon Interactions

In a seminal paper now a decade old, it was shown that dark-matter detectors geared at probing interactions with nucleons could also be used to probe dark-matter interactions with electrons. In this Letter, we show that new detector concepts designed to probe dark-matter-electron interactions at low masses can similarly be used to probe new parameter space for dark-matter-nucleon interactions. We demonstrate the power of this approach by using existing data from superconducting detectors to place new limits on the interactions of nuclei with MeV-scale dark matter. Further, we show that advances in detector technology that have been anticipated for electronic interactions will automatically extend sensitivity deep into uncharted territory for nuclear interactions. This doubles the effective science output of future low-threshold experiments.

Griffin, Sinéad M↗
DOE OSTI2025

Quasiparticle description of angle-resolved photoemission spectroscopy for SrCuO 2

SrCuO 2 has long been considered a near-archetypal realization of a quasi-one-dimensional (1D) system of interacting electrons with short-range interactions. Within this framework, experimental observations - interpreted through the lens of the 1D Hubbard model - suggest that electron and hole excitations decay into two types of (unphysical) collective bosonic modes: "spinons", which carry the spin degree of freedom, and "holons", which carry the charge degree of freedom. This model, known as spin-charge separation, is most directly evidenced by angle-resolved photoemission spectroscopy (ARPES), where a photo-induced hole decays into a continuum of these excitations. Here we present an alternative perspective grounded in first-principles, self-consistent, and parameter-free many-body perturbation theory. In this revised quasiparticle framework, ARPES can be understood as a one-body effect arising from mild disorder in a long-range antiferromagnetic ground state. the emergence of the so-called spinon branch arises naturally from spin disorder, the anomalous linewidths are accurately captured, and we provide a compelling explanation for the spectral weight observed at the non-magnetic zone boundary. This reinterpretation provides a unified explanation for key experimental signatures previously attributed to spin-charge separation, including features observed in optical conductivity. Additionally, we show that SrCuO 2 exhibits a nontrivial interchain coupling that significantly influences both its one-particle and two-particle spectral functions. By comparing the spectral features of SrCuO 2 with those of La 2 CuO 4 , we argue that SrCuO 2 shares notable similarities with the two-dimensional cuprates-both being rooted in a common CuO 4 plaquette-based molecular orbital framework.

1D cuprates↗