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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 OSTI2021

Ultrafast Charge Transfer Dynamics at the Origin of Photoconductivity in Doped Organic Solids

In spite of their growing importance for optoelectronic devices, the fundamental properties and photophysics of molecularly doped organic solids remain poorly understood. Such doping typically leads to a small fraction of free conductive charges, with most electronic carriers remaining Coulombically bound to the ionized dopant. Recently, we have reported photocurrent for devices containing vacuum-deposited TAPC (1,1-bis(4-bis(4- methylphenyl)aminophenyl)cyclohexane) doped with MoO 3 , showing that photoexcitation of charged TAPC molecules increases the concentration of free holes that contribute to conduction. Here, we elucidate the excited-state dynamics of such doped TAPC films to unravel the key mechanisms responsible for this effect. We demonstrate that excitation of different electronic transitions in charged and neutral TAPC molecules allows bound holes to overcome the Coulombic attraction to their MoO 3 counterions, resulting in an enhanced yield of long-lived free carriers. This is caused by ultrafast back-and-forth shuffling of charges and excitation energy between adjacent cations and neutral molecules, competing with relatively slow nonradiative decay from higher excited states of TAPC •+ . The light-induced generation of conductive carriers requires the coexistence of cationic and neutral TAPC, a favorable energy level alignment, and intermolecular interactions in the solid state.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ba +2 ion trapping using organic submonolayer for ultra-low background neutrinoless double beta detector

If neutrinos are their own antiparticles the otherwise-forbidden nuclear reaction known as neutrinoless double beta decay can occur. The very long lifetime expected for these exceptional events makes its detection a daunting task. In order to conduct an almost background-free experiment, the NEXT collaboration is investigating novel synthetic molecular sensors that may capture the Ba dication produced in the decay of certain Xe isotopes in a high-pressure gas experiment. The use of such molecular detectors immobilized on surfaces must be explored in the ultra-dry environment of a xenon gas chamber. Here, using a combination of highly sensitive surface science techniques in ultra-high vacuum, we demonstrate the possibility of employing the so-called Fluorescent Bicolor Indicator as the molecular component of the sensor. We unravel the ion capture process for these molecular indicators immobilized on a surface and explain the origin of the emission fluorescence shift associated to the ion trapping.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

Discovery of orbital decay in SMC X-1

Three observations of the binary X-ray pulsar SMC X-1 with the Ginga satellite, conducted on 3 days in 1987 May, 8.4 days in 1988 August-September, and 4 days in 1989 July-August, are reported. Based on the three observation epochs, the rate of change in the orbital period is estimated at (-3.36 +/- 0.02) x 10 exp -6/yr. An interpretation of the orbital decay is made in the context of tidal evolution with allowance for the effect of the increasing moment of inertia of the companion star due to its nuclear evolution. While the orbital decay is thought to be driven by tidal interactions, it is suggested that the asynchronism between the orbit and the rotation of the companion star is most likely maintained by the evolutionary expansion of the companion star (Sk 160) rather than via the Darwin instability.

Levine, A.↗
DOE OSTI2023

Theory of glide symmetry protected helical edge states in a WTe 2 monolayer

Helical edge states in quantum spin Hall (QSH) materials are central building blocks of topological matter design and engineering. Despite their principal topological protection against elastic backscattering, the level of operational stability depends on manifold parameters such as the band gap of the given semiconductor system in the “inverted” regime, temperature, disorder, and crystal orientation. Here, we theoretically investigate electronic and transport properties of QSH edge states in large gap 1-T' WTe 2 monolayers. We explore the impact of edge termination, disorder, temperature, and interactions on experimentally addressable edge state observables, such as local density of states and conductance. We show that conductance quantization can remain surprisingly robust even for heavily disordered samples because of an anomalously small edge state decay length and additional protection related to the large direct gap allowed by glide symmetry. From the simulation of temperature-dependent resistance, we find that moderate disorder enhances the stability of conductance by localizing bulk states. We evaluate the edge state velocity and Luttinger liquid parameter as functions of the chemical potential, finding prospects for physics beyond linear helical Luttinger liquids in samples with ultraclean and well-defined edges.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Fano Resonance in CO 2 Reduction Catalyst Functionalized Quantum Dots

Molecular catalyst functionalized semiconductor quantum dots (QDs) are a promising modular platform for developing novel hybrid photocatalysts. The interaction between adsorbed catalyst vibrations and the QD electron intraband absorption can influence the photophysical properties of both the QD and the catalysts and potentially their photocatalysis. In CdSe QDs functionalized by the CO 2 reduction catalyst, Re(CO) 3 (4,4’-bipyridine-COOH)Cl, we observe that the transient Fano resonance signal resulting from coupling of the catalyst CO stretching mode and the QD conduction band electron mid-IR intraband absorption appears on an ultrafast time scale and decays with the electron population, irrespective of the occurrence of photoreduced catalysts. The Fano asymmetry factor increases with an increase in the adsorbed catalyst number and a decrease in QD sizes. The latter can be attributed to an enhanced charge transfer interaction between the more strongly quantum-confined QD conduction band and catalyst LUMO levels. These results provide a more in-depth understanding of interactions in excited QD-catalyst hybrid photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Particle size influences decay rates of environmental DNA in aquatic systems

Abstract Environmental DNA (eDNA) analysis is a powerful tool for remote detection of target organisms. However, obtaining quantitative and longitudinal information from eDNA data is challenging, requiring a deep understanding of eDNA ecology. Notably, if the various size components of eDNA decay at different rates, and we can separate them within a sample, their changing proportions could be used to obtain longitudinal dynamics information on targets. To test this possibility, we conducted an aquatic mesocosm experiment in which we separated fish‐derived eDNA components using sequential filtration to evaluate the decay rate and changing proportion of various eDNA particle sizes over time. We then fit four alternative mathematical decay models to the data, building towards a predictive framework to interpret eDNA data from various particle sizes. We found that medium‐sized particles (1–10 μm) decayed more slowly than other size classes (i.e., <1 and > 10 μm), and thus made up an increasing proportion of eDNA particles over time. We also observed distinct eDNA particle size distribution (PSD) between our Common carp and Rainbow trout samples, suggesting that target‐specific assays are required to determine starting eDNA PSDs. Additionally, we found evidence that different sizes of eDNA particles do not decay independently, with particle size conversion replenishing smaller particles over time. Nonetheless, a parsimonious mathematical model where particle sizes decay independently best explained the data. Given these results, we suggest a framework to discern target distance and abundance with eDNA data by applying sequential filtration, which theoretically has both metabarcoding and single‐target applications.

Brandão‐Dias, Pedro F. P.↗
DOE OSTI2023

OH Roaming and Beyond in the Unimolecular Decay of the Methyl-Ethyl-Substituted Criegee Intermediate: Observations and Predictions

Alkene ozonolysis generates short-lived Criegee intermediates that are a significant source of hydroxyl (OH) radicals. Here this study demonstrates that roaming of the separating OH radicals can yield alternate hydroxycarbonyl products, thereby reducing the OH yield. Specifically, hydroxybutanone has been detected as a stable product arising from roaming in the unimolecular decay of the methyl-ethyl-substituted Criegee intermediate (MECI) under thermal flow cell conditions. The dynamical features of this novel multistage dissociation plus a roaming unimolecular decay process have also been examined with ab initio kinetics calculations. Experimentally, hydroxybutanone isomers are distinguished from the isomeric MECI by their higher ionization threshold and distinctive photoionization spectra. Moreover, the exponential rise of the hydroxybutanone kinetic time profile matches that for the unimolecular decay of MECI. A weaker methyl vinyl ketone (MVK) photoionization signal is also attributed to OH roaming. Complementary multireference electronic structure calculations have been utilized to map the unimolecular decay pathways for MECI, starting with 1,4 H atom transfer from a methyl or methylene group to the terminal oxygen, followed by roaming of the separating OH and butanonyl radicals in the long-range region of the potential. Roaming via reorientation and the addition of OH to the vinyl group of butanonyl is shown to yield hydroxybutanone, and subsequent C–O elongation and H-transfer can lead to MVK. A comprehensive theoretical kinetic analysis has been conducted to evaluate rate constants and branching yields (ca. 10–11%) for thermal unimolecular decay of MECI to conventional and roaming products under laboratory and atmospheric conditions, consistent with the estimated experimental yield (ca. 7%).

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

The Nature of Standing Plasma Waves Following Fast Breakdown in Thunderstorms

Narrow bipolar events (NBEs) are produced by large-scale systems of streamer corona discharges that occur inside thunderstorms and radiate intensely at very-high frequencies. Here we examine 14 high-power NBEs recorded in Florida which are followed by a lasting oscillatory signal. We isolate the dominant frequencies of the oscillations using empirical mode decomposition methods, and cross-reference this information with the radiator size inferred from broadband interferometry. We conclude that the oscillations are evidence of a standing electromagnetic wave in the plasma cavity created by the preceding streamer system, that is, the cavity's fundamental mode with wavelength equal to twice the radiator length. Contrasting the dispersive and attenuation properties of these waves across several different events allows us to conclude that the cavity is filled with ions resulting in an average conductivity of 0.01–0.1 mS/m, which are left behind after the streamers decay via electron attachment to oxygen molecules.

58 GEOSCIENCES↗
DOE OSTI2022

Magnetic Control of Soft Chiral Phonons in PbTe

We report PbTe crystals have a soft transverse optical phonon mode in the terahertz frequency range, which is known to efficiently decay into heat-carrying acoustic phonons, resulting in anomalously low thermal conductivity. Here, we studied this phonon via polarization-dependent terahertz spectroscopy. We observed softening of this mode with decreasing temperature, indicative of incipient ferroelectricity, which we explain through a model including strong anharmonicity with a quartic displacement term. In magnetic fields up to 25 T, the phonon mode splits into two modes with opposite handedness, exhibiting circular dichroism. Their frequencies display Zeeman splitting together with an overall diamagnetic shift with increasing magnetic field. Using a group-theoretical approach, we demonstrate that these observations are the result of magnetic field-induced morphic changes in the crystal symmetries through the Lorentz force exerted on the lattice ions. Thus, our Letter reveals a novel process of controlling phonon properties in a soft ionic lattice by a strong magnetic field.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Analysis of X-ray observations of the 15 June 1973 flare in active region NOAA 131

Observations and analyses of the 1B/M3 flare of 15 June, 1973 in active region NOAA 131 (McMath 12379) are presented. The X-ray observations, consisting of broadband photographs and proportional counter data from the Skylab/ATM NASA-MSFC/Aerospace S-056 experiment, are used to infer temperatures, emission measures, and densities for the flaring plasma. The peak temperature from the spatially resolved photographs is 25,000,000 K, while the temperature from the full-disk proportional counter data is approximately 15,000,000 K. The density is 3 times 10 to the 10th/cu cm. The X-ray flare emission appears to come primarily from two low-lying curvilinear features lying perpendicular to and centered on the line where the photospheric longitudinal magnetic field is zero. Similarities in the preflare and postflare X-ray emission patterns indicate that no large-scale relaxation of the coronal magnetic configuration was observed. Also discussed are H-alpha and magnetic field observations of the flare and the active region. Finally, results of numerical calculations, including thermal conduction, radiative loss, and chromospheric evaporation, are in qualitative agreement with the decay phase observations.

Krall, K. R.↗
NASA NTRS1983

Sunspot index infers a small relict magnetic field in the sun's core

Inferences from the asymmetry in time of the solar sunspot number, taken over many cycles, yields evidence for the relict magnetic field in the solar core which Cowling (1945) suggested would not decay, over the solar system's lifetime, given sufficiently high bulk electrical conductivity. Whether such a relict field is present can be ascertained either by searching for the presence of a 22-year line quintet in the Fourier spectrum of the sunspot index or by processing the time sequence in order to highlight an offset. Since the solar cycle is unstable to frequency drifts, the presence of frequency modulation can lead to a spurious relict field signal.

Sonett, C. P.↗
DOE OSTI2020

Sensors for measuring thermal conductivity and related methods

A sensor for measuring thermal conductivity includes an insulator, a test material over the insulator, a conductor over the test material, and a gas within an open volume adjacent the test material and the conductor. An electrical source is configured to provide an alternating current through the conductor to heat the test material. Leads are connected to the conductor and configured to connect to a voltmeter. A method of measuring thermal conductivity includes disposing the sensor in a reactor core in which a nuclear fuel undergoes irradiation and radioactive decay. An alternating current is provided from the electrical source through the conductor to heat the test material. A voltage is measured as a function of time at the leads connected to the conductor. A thermal conductivity of the test material is calculated based on the voltage measured as a function of time. Methods of forming a sensor are also disclosed.

Daw, Joshua↗
DOE OSTI2024

Microscopic Derivation of Transition-state Theory for Complex Quantum Systems

The decay of quantum complex systems through a potential barrier is often described with transition-state theory, also known as RRKM theory in chemistry. Here we derive the basic formula for transition-state theory based on a generic Hamiltonian as might be constructed in a configuration-interaction basis. Two reservoirs of random Hamiltonians from Gaussian orthogonal ensembles are coupled to intermediate states representing the transition states at a barrier. Under the condition that the decay of the reservoirs to open channels is large, an analytic formula for reaction rates is derived. Here, the transition states act as independent Breit–Wigner resonances which contribute additively to the total transition probability, as is well known for electronic conductance through resonant tunneling states. It is also found that the transition probability is independent of the decay properties of the states in the second reservoir over a wide range of decay widths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Search for flavour-changing neutral-current couplings between the top quark and the Higgs boson in multi-lepton final states in 13 TeV pp collisions with the ATLAS detector

A search is presented for flavour-changing neutral-current interactions involving the top quark, the Higgs boson and an up-type quark (q = u, c ) with the ATLAS detector at the Large Hadron Collider. The analysis considers leptonic decays of the top quark along with Higgs boson decays into two W bosons, two Z bosons or a τ + τ - pair. It focuses on final states containing either two leptons (electrons or muons) of the same charge or three leptons. The considered processes are $t\bar{t}$ and Ht production. For the $t\bar{t}$ production, one top quark decays via $t\rightarrow Hq$. The proton–proton collision data set analysed amounts to (140 fb -1 ) at $(\sqrt{s}={13}\,\hbox {TeV})$. No significant excess beyond Standard Model expectations is observed and upper limits are set on the $t\rightarrow Hq$ branching ratios at 95 % confidence level, amounting to observed (expected) limits of $\mathcal {B}(t\rightarrow Hu)<2.8\,(3.0) \times 10^{-4}$ and $\mathcal {B}(t\rightarrow Hc)<3.3\,(3.8) \times 10^{-4}$. Combining this search with other searches for tHq flavour-changing neutral-current interactions previously conducted by ATLAS, considering $H\rightarrow b\bar{b}$ and $H\rightarrow \gamma \gamma$ decays, as well as $H\rightarrow \tau ^{+}\tau ^{-}$ decays with one or two hadronically decaying τ-leptons, yields observed (expected) upper limits on the branching ratios of $\mathcal {B}(t\rightarrow Hu)<2.6\,(1.8) \times 10^{-4}$ and $\mathcal {B}(t\rightarrow Hc)<3.4\,(2.3) \times 10^{-4}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2003

Large-Eddy Simulation of Conductive Flows at Low Magnetic Reynolds Number

In this paper we study the LES method with dynamic procedure in the context of conductive flows subject to an applied external magnetic field at low magnetic Reynolds number R(sub m). These kind of flows are encountered in many industrial applications. For example, in the steel industry, applied magnetic fields can be used to damp turbulence in the casting process. In nuclear fusion devices (Tokamaks), liquid-lithium flows are used as coolant blankets and interact with the surrounding magnetic field that drives and confines the fusion plasma. Also, in experimental facilities investigating the dynamo effect, the flow consists of liquid-sodium for which the Prandtl number and, as a consequence, the magnetic Reynolds number is low. Our attention is focused here on the case of homogeneous (initially isotropic) decaying turbulence. The numerical simulations performed mimic the thought experiment described in Moffatt in which an initially homogeneous isotropic conductive flow is suddenly subjected to an applied magnetic field and freely decays without any forcing. Note that this flow was first studied numerically by Schumann. It is well known that in that case, extra damping of turbulence occurs due to the Joule effect and that the flow tends to become progressively independent of the coordinate along the direction of the magnetic field. Our comparison of filtered direct numerical simulation (DNS) predictions and LES predictions show that the dynamic Smagorinsky model enables one to capture successfully the flow with LES, and that it automatically incorporates the effect of the magnetic field on the turbulence. Our paper is organized as follows. In the next section we summarize the LES approach in the case of MHD turbulence at low R(sub m) and recall the definition of the dynamic Smagorinsky model. In Sec. 3 we describe the parameters of the numerical experiments performed and the code used. Section 4 is devoted to the comparison of filtered DNS results and LES results. Conclusions are presented in Sec. 5.

Knaepen, B.↗
NASA NTRS1991

Correlation between some current parameters and optical radiation generated by 280 mm long laboratory sparks

Discussed here is the optical radiation generated by 280 mm long laboratory discharges and its relationship to the current flowing in the discharge channel. In an experiment, the optical radiation generated by the discharges was measured at wavelengths 777nm (bandwidth 10 nm) due to O I(1), and 500 nm (bandwidth 5 nm) due to N II(19), and the broadband optical radiation between the wavelengths 400 to 1100 nm. The shape of the current waveform, which had a rise time of 0.1 microsecond and a decay time of 5 microsecond, remained the same with increasing peak value. The experiment was conducted with peak current amplitudes in the range of 1-4 kA. In order to test the effect of current rise time on the optical radiation, researchers also conducted studies with a current waveform having a 5 microsecond rise time. It was observed that the peak amplitude of the optical radiation pulse at the wavelengths mentioned above is proportional to the peak amplitude of the current flowing through the discharge channel. The rise time of the optical radiation pulse at a given wavelength does not depend significantly on the peak amplitude of the current waveform. The rise time of the optical radiation pulse decreases with decreasing wavelength. A slight increase in the decay time of the optical pulse, at a given wavelength, is observed with increasing peak amplitude of the current waveform.The results show that the rise time of the optical radiation pulse increases with the increasing rise time of the current waveform. The relationship between peak current, peak optical power, and peak electrical power is studied. Also, the relationship between peak current, optical energy (400-1100 and 777 nm), and electrical energy is discussed.

Windmar, Dan↗
DOE OSTI2021

Electron Kinetics Induced by Ultrafast Photoexcitation of Warm Dense Matter in a 30-nm-Thick Foil

We report on the study of electron kinetics induced by intense femtosecond (fs) laser excitation of electrons in the 5d band of Au. Changes in the electron system are observed from the temporal evolution of ac conductivity and conduction electron density. The results reveal an increase of electron thermalization time with excitation energy density, contrary to the Fermi-liquid behavior of the decrease of thermalization time associated with the heating of conduction electrons. This is attributed to the severe mitigation of photoexcitation by Auger decay. The study also uncovers the shortening of 5d hole lifetime with the increase of photoexcitation rates. Overall, these unique findings provide valuable insights for understanding electron kinetics under extreme nonequilibrium conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗