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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 1,045 records · Page 58
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DOE OSTI2020

Ionization wave propagation in a He plasma jet in a controlled gas environment

Characterizing ionization wave propagation in low temperature plasma jets is critical to predicting production of reactive species and plasma–surface interactions for biomedical applications and surface functionalization. In this work, results from optical emission and laser induced fluorescence measurements of the ionization wave in a He plasma jet operating in a controlled gas environment are discussed and used for comparison with numerical modeling. Additionally, the ionization wave was observed using ICCD (Intensified Charge Coupled Device) imaging and characterized by time and spatially resolved electron density measurements using laser-collision-induced fluorescence. The plasma jet was initially characterized using pure He (nominally at 200 Torr), while varying pressure and voltage. When operating in pure He, the ionization wave broadly expands exiting the plasma tube. Increasing the operating pressure reduces the speed and isotropic expansion of the ionization wave. Furthermore, the jet operated with a humid He shroud was also studied. The humid He shroud results in the electron density increasing and having an annular profile due to the lower ionization potential of H2O compared to He and localized photoionization in the mixing region. Numerical modeling highlighted the importance of resonance radiation emitted by excited states of He, photoelectron emission from the quartz tube, and the kinetic behavior of the electrons produced by photoionization ahead of the ionization front.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Cold-hot coupled waves in a flowing magnetized plasma

Abstract Nonlinear coupling of cold and hot waves in a flowing magnetized plasma is analyzed with the Vlasov equation. An analytical solution is obtained for cold waves of a small amplitude (weak flow) and a long wavelength. The distribution function is obtained by integrating the kinetic equation along a perturbed phase-space trajectory for a time-varying plasma flow. The kinetic description presents a generalized dispersion relation that involves resonances depending on cold and hot wave dispersions. Coherent fluid motion leads to radiation peaks in addition to the cyclotron harmonics, where the wavenumber of the cold wave determines the peak frequencies. The peaks appear narrow when the wave propagates perpendicular to the time-averaged flow while they become broad due to the Doppler effect when the wave propagates parallel to the flow. Fully kinetic particle-in-cell simulations corroborate the theoretical predictions. The dispersion relation and resulting wave spectra provide information about plasma parameters and flow properties.

Physics↗
DOE OSTI2024

The slow wave resonance cone in the collisional regime

In the low-density edge plasma of tokamaks, ion cyclotron range of frequencies actuators may parasitically emit slow waves. If the density is sufficiently low, which may be common in large future devices such as international thermonuclear experimental reactor (ITER), these slow waves take the form of so-called resonance cones. The traditional theoretical description of this wave mode relies on formally relating an electrostatic approximation of the frequency-domain wave equation to a time-domain wave equation and relating the cone angle to the wave speed in the time-domain wave equation. In the cold plasma collisional regime, that wave speed is complex. We investigate that scenario in this work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Nanoscale strain wave generation by a piezoelectric grating from polar vortices

Nanostructures formed by spontaneously broken symmetry have provided new ways to manipulate quantum states. Specifically, topological structures with periodic spatial ordering, such as polar vortices and skyrmions, can be ideal hosts for creating engineered responses in both spatial and frequency domains. So far, however, only a few examples of such hierarchical engineering have been reported in the literature. Here we demonstrate that the spatially modulated piezoelectric response of a polar vortex structure can create strain waves with a characteristic nanoscale wavefront. Using time-resolved pump–probe resonant X-ray scattering and diffraction measurements, coupled with dynamical phase-field simulations, we show that the piezoelectric modulation of the spontaneously formed polar vortex crystal functions as an acoustic diffraction grating. This system converts incoming laterally uniform strain waves into outgoing waves with a characteristic sub-terahertz frequency, driven by an intrinsic excitation of the polar vortex crystal. Moreover, our phase-field simulations suggest that the dynamic mechanical displacements exhibiting vortex textures are generated from both space- and time-varying piezoelectric responses. Our findings illustrate a new method for generating nanoscale strain waves with unique spatial textures by tuning the hierarchical order of polar topologies to engineer new collective modes, allowing for a wide range of control through the topological lattice.

ferroelectrics↗
DOE OSTI2024

Pressure-induced polyamorphic transition in CaA l 2 O 4 glass

In situ high-pressure ultrasonic velocity measurements of CaAl 2 O 4 glass reveal abrupt irreversible discontinuities in the elastic wave velocities at ~8–10 GPa. Total structure factor and pair distribution functions measured by synchrotron x-ray diffraction show a rapid change in the intermediate range structure attributed to a rearrangement of calcium ions over this narrow pressure region. Atomistic models obtained from molecular dynamics simulations reveal that this intermediate range structure is explained by a transition of Ca–O void radius distribution from a bimodal distribution with peaks at ~2.1 and ~2.4 Å to a single distribution centered at ~2.1 Å. Further, these abrupt structural changes involving the rapid increase in elastic wave velocity are markedly different to the continuous transformations observed in conventional network-forming glasses, such as SiO 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Improved $^{95}\mathrm{Mo}$ neutron resonance parameters and astrophysical reaction rates

We report improved 95 Mo neutron resonance parameters and reaction rates are important for nuclear astrophysics, testing nuclear models, and nuclear criticality safety. However, despite many previous neutron-capture and total cross-section measurements on this nuclide, there still is much room for improvement as well as several discrepancies. For example, there are very few firm resonance spin and parity assignments; average resonance parameters are available only for each parity, the currently recommended astrophysical reaction rate results in disagreements between stellar models and meteoric isotopic anomalies, and there are substantial disagreements in the neutron-capture cross section at low energies important for nuclear criticality safety. To obtain an improved set of neutron resonance parameters and astrophysical reaction rates for 95 Mo. High-resolution neutron-capture and transmission data were measured at the Oak Ridge Electron Linear Accelerator (ORELA) using highly isotopically enriched 95 Mo samples. The neutron-capture apparatus, data reduction, and analysis were improved so that information contained in the γ-ray cascade following neutron capture were used to assign resonance J π values. Following this, simultaneous analysis of the new neutron-capture and transmission data was used to obtain resonance energies, gamma widths, and neutron widths and their uncertainties to a maximum energy of 10 keV. Accurate neutron-capture cross sections also were obtained for the unresolved resonance region to a maximum energy of 500 keV and, together with the new resonance parameters, used to calculate the astrophysical reaction rates in the temperature range from 5 to 30 keV. A vastly improved set of 95Mo neutron resonance parameters and an astrophysical reaction rate accurate to about 3% were obtained. Firm J π assignments were determined for 261 of the 314 observed resonances. This is a very large improvement over the previously published 32 firm J π assignments for 108 resonances. Also, the number of resonances having both firm J π assignments and Γ γ values was increased by almost a factor of 24—from 11 to 261. Neutron- and total-radiation-width distributions and average resonance spacings, average total radiation widths, and neutron strength functions were obtained for the six different s- and p-wave possibilities. Parameters for the lowest s-wave resonance, which is most important for criticality benchmarks, were obtained with high accuracy. Simple modification of the neutron-capture apparatus and expansion and improvement of data analysis techniques led to a large increase in firm J π assignments for 95 Mo neutron resonances. The resulting astrophysical reaction rate is 20%–30% larger than the currently recommended rate at s-process temperatures, which should lead to better agreement between stellar models and meteoric isotopic anomalies. The neutron-capture cross section at low energies is substantially larger than recommended in the latest evaluation, which is problematical for criticality benchmarks. The average resonance spacing as a function of spin and parity is significantly different from current models. The total-radiation-width distributions are significantly broader than predicted by theory and show significant departures from the expected Gaussian shapes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Neural network representation of electronic structure from ab initio molecular dynamics

Despite their rich information content, electronic structure data amassed at high volumes in ab initio molecular dynamics simulations are generally under-utilized. Here we introduce a transferable high-fidelity neural network representation of such data in the form of tight-binding Hamiltonians for crystalline materials. This predictive representation of ab initio electronic structure, combined with machine-learning boosted molecular dynamics, enables efficient and accurate electronic evolution and sampling. When it is applied to a one-dimension charge-density wave material, carbyne, we are able to compute the spectral function and optical conductivity in the canonical ensemble. The spectral functions evaluated during soliton-antisoliton pair annihilation process reveal significant renormalization of low-energy edge modes due to retarded electron-lattice coupling beyond the Born–Oppenheimer limit. The availability of an efficient and reusable surrogate model for the electronic structure dynamical system will enable calculating many interesting physical properties, paving the way to previously inaccessible or challenging avenues in materials modeling.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

How Does Metal Spin State Affect Electronic Communication in Mixed-Valence Dimers? Insights from Ultrafast Near-Infrared and Soft X-ray Transient Absorption Spectroscopy

Recent advancements in photocatalysis, photovoltaics, and quantum information science take advantage of electron spin, and determining how spin multiplicity affects electron transfer is key to understanding these phenomena. Here, in this study, we examine how metal spin state affects electronic communication in an organometallic mixed-valence dimer, ferrocenyl cobaltocenium ([Fe II Cp 2 Co III Cp 2 ] + ). This complex can be photoexcited from its low-spin singlet Fe II ground state to form intermediate-spin triplet Fe II and high-spin quintet Fe II excited states. Using femtosecond optical transient absorption (OTA) spectroscopy with visible (vis), near-infrared (NIR), and short-wave IR (SWIR) probes, supported by time-dependent density functional theory (TD-DFT) calculations, we measure Fe II Co III →Fe III Co II intervalence charge transfer (IVCT) bands in each of the Fe II spin states. Mulliken–Hush analysis of the excited-state IVCT bands was used to compute the electronic coupling between the metal centers in all three spin states, which increased as quintet < triplet < singlet. Meanwhile, the peak energy of the bands, and thus the ΔG of the IVCT transition, increased as triplet < quintet < singlet. Then, to directly probe the electronic structure at each metal center, we employed picosecond soft X-ray transient absorption (XTA) spectroscopy at the Fe and Co L 3 edges. Our results show that the low-spin and high-spin states of [Fe II Cp 2 Co III Cp 2 ] + are valence-localized, while the intermediate-spin state is partially delocalized. The differences in charge delocalization are attributed to differences in orbital occupation and geometry that affect the free energy and superexchange coupling.

Burke, John H. [Univ. of Illinois at Urbana-Champa↗
DOE OSTI2020

Thermal interfaces in dynamic compression experiments

Temperature is a difficult thermodynamic variable to measure in dynamic compression experiments. Optical pyrometry is a general-purpose technique for measuring temperature from a radiant surface, but that surface is often the interface between distinct materials with temperatures that vary spatially along the loading direction. This leads to a fundamental problem: how does the measured interface temperature relate to this temperature profile along the compression axis? Numerical analysis of loading history and thermal diffusion at these interfaces shows that seemingly subtle changes in experiment geometry can lead to very different temperature profiles. We compare these results to laboratory temperature measurements of shock-compressed tin.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

The Muon Smasher’s Guide

In this work, we lay out a comprehensive physics case for a future high-energy muon collider, exploring a range of collision energies (from 1 to 100 TeV) and luminosities. We highlight the advantages of such a collider over proposed alternatives. We show how one can leverage both the point-like nature of the muons themselves as well as the cloud of electroweak radiation that surrounds the beam to blur the dichotomy between energy and precision in the search for new physics. The physics case is buttressed by a range of studies with applications to electroweak symmetry breaking, dark matter, and the naturalness of the weak scale. Additionally, we make sharp connections with complementary experiments that are probing new physics effects using electric dipole moments, flavor violation, and gravitational waves. An extensive appendix provides cross section predictions as a function of the center-of-mass energy for many canonical simplified models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Investigation of mode activity in NBI-heated experiments of Wendelstein 7-X

The 2018 operation phase (OP 1.2b) of the stellarator Wendelstein 7-X (W7-X) included, for the first time, neutral beam injection (NBI) to heat the plasma. Since the injection geometry at W7-X is not parallel, this generates both passing and trapped fast particles. During longer phases of NBI injection, with the primary purpose to study the heating efficiency of this system, Alfvén eigenmodes (AEs) were observed by a number of diagnostics, including the phase contrast imaging (PCI) system, the magnetic pick-up coils (Mirnov coils), and the soft x-ray multi-camera tomography system (XMCTS). Alfvén eigenmodes are of great interest for future fusion reactors as it has been shown that the resonant interaction of fast ions with self-excited AEs can lead to enhanced transport of fast ions and potentially to energy losses. This is especially true for so-called gap-modes, Alfvén eigenmodes with frequencies in gaps of the continuous spectrum, since they lack continuum damping. These modes are commonly known to be excited by fast ions, but other destabilizing mechanisms, e.g. the electron-pressure gradient are also possible. In this article we present a first analysis of the experimentally observed frequencies from the theoretical side. The calculation of shear Alfvén wave continua for selected cases and the assignment of observed frequencies to the gaps of the continuous spectra are presented. Using the ideal-MHD code CKA (Könies A. 2007 10th IAEA TM on Energetic Particles in Magnetic Confinement System), we find gap modes that match the experimental measurements in terms of the observed frequencies. We emphasize the crucial roles played by the coupling of sound and Alfvén waves as well as of the Doppler shift arising as a consequence of the radial electric field in W7-X. We employ the perturbative gyrokinetic code CKA-EUTERPE (Feh´er 2013 Simulation of the interaction between Alfv´en waves and fast particles), using a slowing-down distribution function for the fast ions as calculated by the Monte-Carlo particle following code ASCOT (Hirvijoki et al 2014 Comput. Phys. Commun. 185 1310–21) to assess the fast-ion drive. Here we find that the fast-ion drive is insufficient to overcome the background-plasma damping. The fact that unstable modes were observed experimentally may point to problems with the modelling or indicate the existence of other destabilizing mechanisms, e.g. associated with the electron-pressure gradient (Windisch et al 2017 Plasma Phys. Control. Fusion 59 105002) that sensitively depend on the profiles of the background plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Anisotropic light-tailored RKKY interaction in two-dimensional 𝑑-wave altermagnets

Altermagnets are known in spintronics for their intrinsic spin-splitting and unconventional magnetic responses, particularly to magnetic impurities. However, effectively controlling the magnetic exchange interactions in altermagnets is challenging for practical applications. Here, in this work, we propose using circularly polarized light to tune the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in two-dimensional 𝑑-wave altermagnets. Using the real-space retarded Green's functions approach, our results show that while the Heisenberg and Ising exchanges dominate, a notable Dzyaloshinskii–Moriya (DM) interaction also plays a key role. Furthermore, the inherent strength of altermagnetism imprints chirp-like signatures into the magnetic responses, which can be dynamically tuned via light. We mainly demonstrate that gate-induced Rashba spin-orbit coupling is essential in response to light—light selectively and anisotropically adjusts the DM interaction without affecting the other exchanges. Our findings further indicate that rotating the altermagnet by 45° relative to the light's polarization direction generates a Dirac-like dispersion and different DM interactions. We finally extract critical thresholds where light reverses DM interactions along one axis or balances both in-plane components. The anisotropic light-driven control of RKKY interactions in altermagnets not only highlights their unique properties but also opens new avenues for engineering tailored magnetic characteristics in spintronic applications.

altermagnetism↗
DOE OSTI2020

Anisotropic superconductivity mediated by ferroelectric fluctuations in cubic systems with spin-orbit coupling

Motivated by the experimental observation that superconductivity in bulk doped SrTiO 3 is enhanced as a putative ferroelectric quantum critical point (FE-QCP) is approached, we study the pairing instability of a cubic system in which electrons exchange low-energy ferroelectric fluctuations. Instead of the gradient coupling to the lattice distortion associated with ferroelectricity, we consider direct coupling between the electrons and the bosonic ferroelectric field that appears in the presence of spin-orbit coupling. Working in the weak-coupling regime, we find that the pairing interaction is dominated by the soft transverse optical (TO) mode, resulting in a Tc enhancement upon approaching the FE-QCP. Focusing on even-parity states, we find that although the s-wave state always wins, states with higher Cooper-pair angular momentum become close competitors as the TO mode softens. We show that the cubic anisotropy of the FE fluctuations mixes the s-wave and g-wave states, resulting in a characteristic anisotropy of the gap function. Here, the gap anisotropy behaves nonmonotonically as the FE-QCP is approached: upon decreasing the TO mode frequency, the gap anisotropy first changes sign and then increases in magnitude. We discuss the possible applications of our results to the superconducting state of SrTiO 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Metastable antiphase boundary ordering in CaFe 2 O 4

CaFe 2 O 4 is an $\textit{S}$ = 5/2 antiferromagnet exhibiting two magnetic orders that shows regions of coexistence at some temperatures. Using a Green’s function formalism, we model neutron scattering data of the spin wave excitations in this material, elucidating the microscopic spin Hamiltonian. In doing so, we suggest that the low-temperature A phase order (↑↑↓↓) finds its origins in the freezing of antiphase boundaries created by thermal fluctuations in a parent B phase order (↑↓↑↓). In this work, the low-temperature magnetic order observed in CaFe 2 O 4 is thus the result of a competition between the exchange coupling along $\textit{c}$, which favors the B phase, and the single-ion anisotropy, which stabilizes thermally generated antiphase boundaries, leading to static metastable A phase order at low temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Collective excitations and quantum incompressibility in electron-hole bilayers

In this study, we apply quantum continuum mechanics to the calculation of the excitation spectrum of a coupled electron-hole bilayer. The theory expresses excitation energies in terms of ground-state intra- and interlayer pair correlation functions, which are available from quantum Monte Carlo calculations. The final formulas for the collective modes deduced from this approach coincide with the formulas obtained in the “quasilocalized particle approximation” by Kalman et al. [G. Kalman, V. Valtchinov, and K. I. Golden, Phys. Rev. Lett. 82 , 3124 (1999) ], and likewise the theory predicts the existence of gapped excitations in the charged channel, with the gap arising from electron-hole correlation. An immediate consequence of the gap is that the static density-density response function of the charged channel vanishes as q 2 for wave vector q → 0 , rather than linearly in q , as commonly expected. In this sense, the system is incompressible . This feature, which has no analog in the classical electron-hole plasma, is consistent with the existence of an excitonic ground state and implies the existence of a discontinuity in the chemical potential of electrons and holes when the numbers of electrons and holes are equal. It should be experimentally observable by monitoring the densities of electrons and holes in response to potentials that attempt to change these densities in opposite directions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Streamer self-focusing in an external longitudinal magnetic field

The numerical simulation of the development of a streamer discharge in a gap with an external longitudinal magnetic field was used to demonstrate the self-focusing of such discharges. Self-focusing is caused by a sharp deceleration of the radial ionization wave due to a change in the electron energy distribution function, a decrease in the average electron energy, the rate of gas ionization, and the electron mobility in crossed electric and magnetic fields as compared to the case of the discharge development without a magnetic field. The self-focusing effect of a streamer discharge in an external longitudinal magnetic field is observed for both positive and negative pulse polarities. The work proposes an estimate of the critical value of the magnetic field, which makes it possible to control the development of pulsed high-voltage discharges at various gas pressures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

fbWecCntrl

fbWecCntrl is set of MATLAB functions and scripts demonstrating a causal impedance matching approach to wave energy converter (WEC) control design. SAND2020-12219 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Coe, Ryan↗
DOE OSTI2020

New Yield Estimates for Nuclear Detonations Over Water

One of the primary methods used by the United States to estimate the yields of atmospheric nuclear tests performed in the 1940’s, 50’s, and 60’s was to film each detonation with a high-speed camera, measure the blast radius as a function of time, and then use Taylor’s spherical blast wave equation to calculate the source energy (i.e., the yield). For surface detonations, the yield in Taylor’s equation was assumed to be twice as large as the actual yield to account for the energy reflected from the surface, assuming the ground was a perfect reflector. Recent simulations of surface detonations over water (referred to as barge shots) have shown that Taylor’s equation must be modified further to account for material entrainment and heat losses. We have computed this lost energy using a high-order radiation-hydrodynamics code to determine the reduction in blast radius vs. time. By analyzing simulation data in the same manner as film data, we have determined that a yield correction factor of 1.27± 0.04 should be applied to the barge shots.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗