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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Femtosecond symmetry breaking and coherent relaxation of methane cations via x-ray spectroscopy

Understanding the relaxation pathways of photoexcited molecules is essential to gain atomistic-level insight into photochemistry. Here, we performed a time-resolved study of ultrafast molecular symmetry breaking through geometric relaxation (Jahn-Teller distortion) on the methane cation. Attosecond transient absorption spectroscopy with soft x-rays at the carbon K-edge revealed that the distortion occurred within 10 ± 2 femtoseconds after few-femtosecond strong-field ionization of methane. The distortion activated coherent oscillations in the asymmetric scissoring vibrational mode of the symmetry-broken cation, which were detected in the x-ray signal. These oscillations were damped within 58 ± 13 femtoseconds because vibrational coherence was lost with the energy redistributing into lower-frequency vibrational modes. This study completely reconstructs the molecular relaxation dynamics of this prototypical example and opens avenues for exploring complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Three-mode coupling interference patterns in the dynamic structure factor of a relaxor ferroelectric

A long-standing controversy for relaxor ferroelectrics has been the origin of the waterfall effect in the phonon dispersion curves, in which low-energy transverse phonons cascade into vertical columns. Originally interpreted as phonons interacting with polar nanoregions (PNRs), it was later explained as an interference effect of coupling damped optic and acoustic phonons. In light of a recently discovered PNR vibrational mode near the waterfall wavevector [M. E. Manley, J. W. Lynn, D. L. Abernathy, E. D. Specht, O. Delaire, A. R. Bishop, R. Sahul, and J. D. Budai, Nat. Commun. 5, 3683 (2014)] we have reexamined this feature using neutron scattering on [100]-poled PMN-30%PT (0.6Pb(Mg 1/3 Nb 2/3 )O 3 0.3PbTiO 3 ). In addition, we find that the PNR mode couples to both optic and acoustic phonons, and that this results in complex patterns in the dynamic structure factor, including intensity pockets and peaks localized in momentum-energy space. These features are fully explained by extending the mode-coupling model to include three coupled damped harmonic oscillators representing the transverse optic, acoustic, and PNR modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

AToM: Advanced Tokamak Modeling Environment

Stability constraints play an important role in integrated modeling. The global plasma stability and macro-instabilities such as internal kink modes, neoclassical tearing modes, and edge localized perturbations limit the plasma performance and can result in large-scale transient events and plasma disruptions. These macro-instabilities can be also beneficial to the plasma performance. For example, the peeling models often lead to the edge localized modes (ELMs). However, the formation of stationary edge harmonic oscillations (EHOs) due to nonlinear interaction of peeling modes can result in a transition to the Quiescent H-mode (QH-mode) without ELMs. The profiles predicted with transport models need to be refined using the MHD stability constraints. This is important especially for transient and nonlinear stages of discharges such as ramp-up access to hybrid and steady state operation, and L- to H-mode transition as well as transition to the QH-mode. Several stability and MHD codes are already included in the OMFIT framework. These codes include BALOO, ELITE, GATO, M3DC1, MARS, and NIMROD. However, the verifications of stability constraints are currently mostly excluded from transport modeling workflows. The only exception is the EPED module which includes the ELITE predictions to limit the pedestal height. Here, we improved the OMFIT workflow to include stability calculations. Including the stability conditions to the integrated modeling workflow improved the robustness of the predictive modeling discharges. Being implemented in the workflow, the stability conditions can be also used for the stability analysis of experimental data. This improved the physics understanding of various discharge scenarios and can be used in experiment planning.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Wavelength calibration of x-ray imaging crystal spectrometer on Joint Texas Experimental Tokamak

The wavelength calibration of x-ray imaging crystal spectrometer is a key issue for the measurements of plasma rotation. For the lack of available standard radiation source near 3.95 Å and there is no other diagnostics to measure the core rotation for inter-calibration, an indirect method by using tokamak plasma itself has been applied on joint Texas experimental tokamak. It is found that the core toroidal rotation velocity is not zero during locked mode phase. This is consistent with the observation of small oscillations on soft x-ray signals and electron cyclotron emission during locked-mode phase.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

How Proton Incorporation Reshapes Lattice Dynamics In BaSnO 3 ‐Type Proton Conductors

Proton conduction in acceptor-doped perovskites is fundamentally a vibronic process: mobile H + and D + do not move independently, but dynamically co-vibrate with the surrounding oxygen–metal framework. Direct experimental evidence for this behavior is presented using in situ 119⁢ 𝑆⁢𝑛 nuclear resonance vibrational spectroscopy (NRVS) on hydrated, deuterated, and dry 𝐵⁢𝑎⁢𝑆⁢𝑛 1−𝑥⁢ 𝑌 𝑥 ⁢𝑂 3−𝛿 . Hydration induces systematic redistributions in the Sn-projected phonon density of states (PDOS), including an upshift of the first spectral moment by about 0.4 meV, indicating a stiffening of the extended Sn–O network. H/D isotopic substitution leaves the Sn-projected PDOS largely unchanged, with only subtle isotope-dependent spectral reweighting, demonstrating that protonic degrees of freedom are not localized oscillators but are embedded in collective lattice modes. These results are rationalized using a classical coupled proton–phonon oscillator model that links the observed PDOS variations to changes in effective force constants and vibrational mass terms. The model captures how H + and D + participate in cooperative lattice dynamics rather than forming isolated OH/OD entities. Overall, NRVS probes proton–lattice coupling in ceramic proton conductors and quantitatively describes how protonic defects modulate host lattice dynamics to enable phonon-assisted long-range proton transport.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Normal modes of a spin cycloid or helix

Although spin cycloids and helices are quite common, remarkably little is known about the normal modes of a spin cycloid or helix with finite length on a discrete lattice. Based on simple one-dimensional lattice models, we numerically evaluate the normal modes of a spin cycloid or helix produced by either Dzyaloshinskii-Moriya (DM) or competing exchange (CE) interactions. The normal modes depend on the type of interaction and on whether the nearest-neighbor exchange is antiferromagnetic (AF) or ferromagnetic (FM). In the AF/DM and FM/DM cases, there is only a single Goldstone mode; in the AF/CE and FM/CE cases, there are three. For FM exchange, the spin oscillations produced by non-Goldstone modes contain a mixture of tangential and transverse components. For the DM cases, we compare our numerical results with analytic results in the continuum limit. Examples are given of materials that fall into all four cases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Nonadiabatic anharmonic electron transfer

The effect of an inner sphere, local mode vibration on an electron transfer is modeled using the nonadiabatic transition probability (rate) expression together with both the anharmonic Morse and the harmonic oscillator potential. For an anharmonic inner sphere mode, a variational analysis uses harmonic oscillator basis functions to overcome the difficulties evaluating Morse-model Franck-Condon overlap factors. Individual matrix elements are computed with the use of new, fast, robust, and flexible recurrence relations. The analysis therefore readily addresses changes in frequency and/or displacement of oscillator minimums in the different electron transfer states. Direct summation of the individual Boltzmann weighted Franck-Condon contributions avoids the limitations inherent in the use of the familiar high-temperature, Gaussian form of the rate constant. The effect of harmonic versus anharmonic inner sphere modes on the electron transfer is readily seen, especially in the exoergic, inverted region. The behavior of the transition probability can also be displayed as a surface for all temperatures and values of the driving force/exoergicity {Delta}=-{Delta}G. The temperature insensitivity of the transfer rate is clearly seen when the exoergicity equals the collective reorganization energy ({Delta}={Lambda}{sub s}) along a maximum ln (w) vs. {Delta} ridge of the surface. The surface also reveals additional regions for {Delta} where ln (w) appears to be insensitive to temperature, or effectively activationless, for some kinds of inner sphere contributions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

High-Power Microwave Oscillator of Twistron Type with Efficiency of 55% for Electron Energy of 180 keV

Highly effective mode of generation of a relativistic microwave oscillator of twistron type is calculated by numerical simulation using an axisymmetric version of completely electromagnetic PiC-code KARAT. With accelerating voltage of 180 kV, electron beam current of 1.2 kA, and 1.9 T guiding magnetic field strength, the simulated stationary generation power is 120 MW at an operating frequency of 10.7 GHz. The efficiency of electron beam power conversion to electromagnetic radiation is 55%, and the electronic efficiency of the oscillator calculated from the change of the initial electron energy is 64%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

HOW PECULIAR WAS THE RECENT EXTENDED MINIMUM: A HINT TOWARD DOUBLE MINIMA

In this paper, we address the controversy regarding the recent extended solar minimum as seen in helioseismic low- and intermediate-degree mode frequencies: studies from different instruments identify different epochs of seismic minima. Here we use mode frequencies from a network of six identical instruments, the Global Oscillation Network Group, continuously collecting data for more than 15 years, to investigate the epoch of minimum in solar oscillation frequencies prior to the beginning of solar cycle 24. We include both low- and intermediate-degree modes in the l range of 0-120 and frequency range of 2.0-3.5 mHz. In this analysis, we demonstrate that there were indeed two minima in oscillation frequencies, depending upon the degree of modes, or more precisely the lower turning point radius of the propagating wave. We also analyze frequencies as a function of latitude to identify the beginning of solar cycle 24. We observe two minima at high latitudes and a single minimum at mid/low latitudes. This scenario is in contrast to cycle 23 where the epoch of seismic minimum did not change with latitude or depth. Our results also hint at a possible role of the relic magnetic field in modifying the oscillation frequencies of modes sampling deeper layers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Self-induced neutrino flavor conversion without flavor mixing

Neutrino-neutrino refraction in dense media can cause self-induced flavor conversion triggered by collective run-away modes of the interacting flavor oscillators. The growth rates were usually found to be of order a typical vacuum oscillation frequency Δ m{sup 2}/2E. However, even in the simple case of a ν{sub e} beam interacting with an opposite-moving ν-bar {sub e} beam, and allowing for spatial inhomogeneities, the growth rate of the fastest-growing Fourier mode is of order μ=√2 G{sub F} n{sub ν}, a typical ν–ν interaction energy. This growth rate is much larger than the vacuum oscillation frequency and gives rise to flavor conversion on a much shorter time scale. This phenomenon of 'fast flavor conversion' occurs even for vanishing Δ m{sup 2}/2E and thus does not depend on energy, but only on the angle distributions. Moreover, it does not require neutrinos to mix or to have masses, except perhaps for providing seed disturbances. We also construct a simple homogeneous example consisting of intersecting beams and study a schematic supernova model proposed by Ray Sawyer, where ν{sub e} and ν-bar {sub e} emerge with different zenith-angle distributions, the key ingredient for fast flavor conversion. What happens in realistic astrophysical scenarios remains to be understood.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Evidence of nonlinear coupling in the edge harmonic oscillation sustaining quiescent high confinement in a tokamak plasma

In a tokamak plasma, we measure nonlinear coupling between harmonics comprising a saturated edge oscillation, as predicted by nonlinear magnetohydrodynamic simulations. The coherent structure formed by this coupling suppresses bursty edge-localized modes that cause energy and particle loss. We also measure nonlinear coupling of the edge harmonic oscillation to core-resonant magnetic tearing modes. When tearing modes are present, the edge oscillation harmonics decouple, and edge-localized modes return. In this article, we conclude that nonlinear interaction with tearing modes interrupts the formation of the edge harmonic oscillation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Ultrafast dynamics in the high-symmetry and in the charge density wave phase of 2 H –NbSe 2

Here we investigate carrier and collective mode dynamics in 2H-NbSe 2 using time-resolved optical pump-probe spectroscopy and compare the results with first-principles calculations. Broadband ultrafast reflectivity studies of 2H-NbSe 2 in a wide temperature interval covering the normal, charge density wave (CDW) and superconducting phase were performed. Spectral features observed in the transient reflectivity experiment were associated with specific optical transitions obtained from band structure calculations. Displacive excitation of coherent phonons showed CDW-associated coherent oscillations of the soft phonon mode across the whole spectral range. Temperature evolution of this coherent phonon mode in the low-excitation linear regime shows softening of the mode down to the CDW transition temperature T CDW with subsequent hardening below T CDW . The global fit of the broadband probe data reveals four different relaxation times associated with characteristic electron-electron, electron-phonon, and phonon-phonon relaxation processes. From first-principles calculations of electron-phonon coupling we associate the few picosecond electron-phonon relaxation time $\tau_2$ with a specific group of phonons with frequencies around 20 meV. On the other hand, the anomalously long relaxation time of $\tau_3 \sim$ to 100 ps is associated with anharmonicity-driven phonon-phonon scattering. All relaxation processes result from anomalies near the second order CDW phase transition that are reflected in the temperature dependencies of the characteristic relaxation times and amplitudes of coherent oscillations. At the highest fluences we observe electronic melting of the CDW and disappearance of the mode hardening below T CDW .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Fast-to-Alfvén mode conversion mediated by the Hall current. I. Cold plasma model

The photospheric temperature minimum in the Sun and solar-like stars is very weakly ionized, with an ionization fraction f as low as 10{sup −4}. In galactic star-forming regions, f can be 10{sup −10} or lower. Under these circumstances, the Hall current can couple low-frequency Alfvén and magnetoacoustic waves via the dimensionless Hall parameter ϵ=ω/Ω{sub i}f, where ω is the wave frequency and Ω{sub i} is the mean ion gyrofrequency. This is analyzed in the context of a cold (zero-β) plasma and in less detail for a warm plasma. It is found that Hall coupling preferentially occurs where the wavevector is nearly field-aligned. In these circumstances, Hall coupling in theory produces a continual oscillation between fast and Alfvén modes as the wave passes through the weakly ionized region. At low frequencies (mHz), characteristic of solar and stellar normal modes, ϵ is probably too small for more than a fraction of one oscillation to occur. On the other hand, the effect may be significant at the far higher frequencies (Hz) associated with magnetic reconnection events. In another context, characteristic parameters for star-forming gas clouds suggest that O(1) or more full oscillations may occur in one cloud crossing. This mechanism is not expected to be effective in sunspots, due to their high ion gyrofrequencies and Alfvén speeds, since the net effect depends inversely on both and therefore inverse quadratically on field strength.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Ultrafast intersystem crossings in Fe-Co Prussian blue analogues

Ultrafast spincrossover is studied in Fe-Co Prussian blue analogues using a dissipative quantum-mechanical model of a cobalt ion coupled to a breathing mode. All electronic interactions are treated on an equal footing. It is theoretically demonstrated that the divalent cobalt ion reaches 90% of the S = 3/2 value within 20 fs after photoexciting a low-spin Co 3+ ion by an iron-to-cobalt charge transfer. The doublet-to-quartet spin crossover is significantly faster than the oscillation period of the breathing mode. The system relaxes to the lowest manifold of divalent cobalt ( 4 T 1 ) in 150-200 fs. In conclusion, strong oscillations in spin-orbit coupling and the involvement of higher-lying quartets are found.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sources of Subseasonal-To-Seasonal Predictability of Atmospheric Rivers and Precipitation in the Western United States

Atmospheric rivers (ARs) account for a large portion of winter precipitation in the western US. To evaluate the sources of AR and precipitation predictability at subseasonal-to-seasonal timescales, we examine the relationships between two climate modes, the El Niño/Southern Oscillation (ENSO) and Madden-Julian oscillation (MJO), and winter hydroclimate in the western US. Our analysis uses a large ensemble of the Weather Research and Forecast (WRF) model simulations from 1981 to 2017, facilitating the assessment of uncertainty in climate mode-AR relationship due to climate variability and short length of observations. Over the North Pacific basin, we find ENSO-related latitudinal shifts of ARs, but ENSO has little effect on basin-wide averaged AR frequency. Over the western US, there is some uncertainty in the ENSO-AR connection due to the impacts of ENSO indices and datasets. However, extreme El Niño events defined by the ENSO longitude index are consistently linked to increased landfalling AR activity. The MJO can lead to significantly enhanced or suppressed landfalling AR activity in the large-ensembles, depending on the phase of MJO and time lag, while observations are too short in length to robustly show this signal. ENSO substantially modulates the MJO-AR relationship, triggering variegated responses of landfalling ARs and AR precipitation in La Niña and El Niño years. Our findings highlight the need to evaluate concurrent effects of different climate modes on ARs and precipitation, and may shed light on a path toward more accurate subseasonal-to-seasonal prediction of ARs and precipitation over the western US.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Bi-orthogonal approach to non-Hermitian Hamiltonians with the oscillator spectrum: Generalized coherent states for nonlinear algebras

A set of Hamiltonians that are not self-adjoint but have the spectrum of the harmonic oscillator is studied. The eigenvectors of these operators and those of their Hermitian conjugates form a bi-orthogonal system that provides a mathematical procedure to satisfy the superposition principle. In this form the non-Hermitian oscillators can be studied in much the same way as in the Hermitian approaches. Two different nonlinear algebras generated by properly constructed ladder operators are found and the corresponding generalized coherent states are obtained. The non-Hermitian oscillators can be steered to the conventional one by the appropriate selection of parameters. In such limit, the generators of the nonlinear algebras converge to generalized ladder operators that would represent either intensity-dependent interactions or multi-photon processes if the oscillator is associated with single mode photon fields in nonlinear media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Strong coupling of plasmon and nanocavity modes for dual-band, near-perfect absorbers and ultrathin photovoltaics

In this study, when optical resonances interact strongly, hybridized modes are formed with mixed properties inherited from the basic modes. Strong coupling therefore tends to equalize properties such as damping and oscillator strength of the spectrally separate resonance modes. This effect is here shown to be very useful for the realization of near-perfect dual-band absorption with ultrathin (~10 nm) layers in a simple geometry. Absorber layers are constructed by atomic layer deposition of the heavy-damping semiconductor tin monosulfide (SnS) onto a two-dimensional gold nanodot array. In combination with a thin (55 nm) SiO 2 spacer layer and a highly reflective Al film on the back, a semiopen nanocavity is formed. The SnS-coated array supports a localized surface plasmon resonance in the vicinity of the lowest order antisymmetric Fabry–Perot resonance of the nanocavity. Very strong coupling of the two resonances is evident through anticrossing behavior with a minimum peak splitting of 400 meV, amounting to 24% of the plasmon resonance energy. The mode equalization resulting from this strong interaction enables simultaneous optical impedance matching of the system at both resonances and thereby two near-perfect absorption peaks, which together cover a broad spectral range. When paired with the heavy damping from SnS band-to-band transitions, this further enables approximately 60% of normal incident solar photons with energies exceeding the band gap to be absorbed in the 10 nm SnS coating. Thereby, these results establish a distinct relevance of strong coupling phenomena to efficient, nanoscale photovoltaic absorbers and more generally for fulfilling a specific optical condition at multiple spectral positions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗