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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Time-strain separability in medium-amplitude oscillatory shear

Here, we derive and study equations for the weakly nonlinear medium-amplitude oscillatory shear (MAOS) response of materials exhibiting time-strain separability. Results apply to constitutive models with arbitrary linear memory function $\textit{m}$(s) and for both viscoelastic liquids and viscoelastic solids. The derived equations serve as a reference to identify which models are time-strain separable (TSS) and which may appear separable but are not, in the weakly nonlinear limit. More importantly, we study how the linear viscoelastic (LVE) relaxation spectrum, H($_\tau$), affects the frequency dependence of the TSS MAOS material functions. Continuous relaxation spectra are considered that are associated with analytical functions (log-normal and asymmetric Lorentzian distributions), fractional mechanical models (Maxwell and Zener), and molecular theories (Rouse and Doi-Edwards). TSS MAOS signatures reveal much more than just the perturbation parameter A in the shear damping function small-strain expansion, $h(_γ) = 1 + \text{A}_γ$$^2 + \mathcal{O}(_γ$$^4)$. Specifically, the distribution of terminal relaxation times is significantly more apparent in the TSS MAOS functions than their LVE counterparts. We theoretically show that this occurs because TSS MAOS material functions are sensitive to higher-order moments of the relaxation spectrum, which leads to the definition of MAOS liquids. We also show the first examples of MAOS signatures that differ from the liquid-like terminal MAOS behavior predicted by the fourth-order fluid expansion. This occurs when higher moments of the relaxation spectrum are not finite. The famous corotational Maxwell model is a subset of our results here, for which A = -1/6, and any LVE relaxation spectrum could be used.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Response of a charged particle in contact with a chaotic thermostat to an oscillating electric field

A numerical investigation is made of the response of a thermalized charge in contact with a chaotic thermostat to an externally applied, oscillating electric field, with and without a confining magnetic field. This study is based on the recent theoretical development of a chaotic thermostat [G. J. Morales, Phys. Rev. E 99, 062218 (2019)] for which the static properties of a thermalized charge (spatial diffusion and mobilities) were previously established. It is found here that in the unmagnetized case, to extract significant power from the oscillating electric field requires that the oscillatory velocity be larger than the thermal velocity. The spatial diffusion caused by the self-consistent, chaotic fluctuations is shown to be reduced, and even suppressed, by the coherent oscillations. The frequency-dependent mobilities, including cyclotron resonance, are determined, and the nonlinear modifications produced by large electric fields are explored. The value of the mobilities and the modifications to the diffusion coefficient exhibit non-monotonic dependencies on the control parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Preparation of high orbital angular momentum Rydberg states by optical-millimeter-wave STIRAP

Rydberg states of molecules are intrinsically challenging to study due to the presence of fast non-radiative decay pathways, such as predissociation. However, selectively exciting Rydberg states with values of the orbital angular momentum (ℓ) ℓ ≳ 3 is a productive strategy to minimize this rapid decay and to populate molecular Rydberg states with lifetimes that approach those of atoms. Here, in this proof-of-principle demonstration, we transfer population to an nf Rydberg state of the calcium atom by stimulated Raman adiabatic passage, in which an optical and a millimeter-wave field couple the initial and final states via an intermediate nd Rydberg state. Numerical simulations reproduce the observed time and frequency dependences of the population transfer and suggest the utility of this scheme to populate high-ℓ Rydberg states of molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Theory and modeling of molecular modes in the NMR relaxation of fluids

Traditional theories of the nuclear magnetic resonance (NMR) autocorrelation function for intra-molecular dipole pairs assume a single-exponential decay, yet the calculated autocorrelation of realistic systems displays a rich, multi-exponential behavior, resulting in anomalous NMR relaxation dispersion (i.e., frequency dependence). We develop an approach to model and interpret the multi-exponential intra-molecular autocorrelation using simple, physical models within a rigorous statistical mechanical development that encompasses both rotational diffusion and translational diffusion in the same framework. Here, we recast the problem of evaluating the autocorrelation in terms of averaging over a diffusion propagator whose evolution is described by a Fokker–Planck equation. The time-independent part admits an eigenfunction expansion, allowing us to write the propagator as a sum over modes. Each mode has a spatial part that depends on the specified eigenfunction and a temporal part that depends on the corresponding eigenvalue (i.e., correlation time) with a simple, exponential decay. The spatial part is a probability distribution of the dipole pair, analogous to the stationary states of a quantum harmonic oscillator. Drawing inspiration from the idea of inherent structures in liquids, we interpret each of the spatial contributions as a specific molecular mode. These modes can be used to model and predict the NMR dipole–dipole relaxation dispersion of fluids by incorporating phenomena on the molecular level. We validate our statistical mechanical description of the distribution in molecular modes with molecular dynamics simulations interpreted without any relaxation models or adjustable parameters: the most important poles in the Padé–Laplace transform of the simulated autocorrelation agree with the eigenvalues predicted by the theory

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results

Structural and vibrational properties of aqueous solutions of alkali hydroxides (LiOH, NaOH, and KOH) are computed using quantum molecular dynamics simulations for solute concentrations ranging between 1 and 10M. Element-resolved partial radial distribution functions, neutron and x-ray structure factors, and angular distribution functions are computed for the three hydroxide solutions as a function of concentration. The vibrational spectra and frequency-dependent conductivity are computed from the Fourier transforms of velocity autocorrelation and current autocorrelation functions. Our results for the structure are validated with the available neutron data for 17M concentration of NaOH in water [Semrouni et al., Phys. Chem. Chem. Phys. 21, 6828 (2019)]. We found that the larger ionic radius [rLi+

Chemistry↗
DOE OSTI2024

Ferroelectric Al1 − xBxN–GaN heterostructures

This report demonstrates Al0.93B0.7N thin films grown epitaxially on n-type GaN (0002)/c-plane sapphire substrates by reactive magnetron sputtering at 300 °C. At 200 nm film thickness, the Al0.93B0.07N layers exhibit partially relaxed substrate-induced epitaxial strain, a 0.16° wide (0002) rocking curve, in-plane crystallographic registry, and sub-nanometer surface roughness. Electrically, the stack shows robust hysteresis over three frequency decades, a remanent polarization of ∼125 μC/cm2, a strongly frequency dependent coercive field, highly uniform dc leakage currents, and endurance >106 field cycles. This report validates possibilities for ferroelectric nitride integration into conventional III-nitride heterostructures with high crystalline fidelity, high electrical resistivity, and persistent hysteresis. Such materials are synthesizable at thermal budgets and temperatures compatible with back-end-of-the-line boundary conditions.

Physics↗
DOE OSTI2024

Reduced trap state density in AlGaN/GaN HEMTs with low-temperature CVD-grown BN gate dielectric

In this Letter, low-temperature (400 °C) chemical vapor deposition-grown boron nitride (BN) was investigated as the gate dielectric for AlGaN/GaN metal–insulator–semiconductor high electron mobility transistors (MISHEMTs) on a Si substrate. Comprehensive characterizations using x-ray photoelectron spectroscopy, reflection electron energy loss spectroscopy, atomic force microscope, high-resolution transmission electron microscopy, and time-of-flight secondary ion mass spectrometry were conducted to analyze the deposited BN dielectric. Compared with conventional Schottky-gate HEMTs, the MISHEMTs exhibited significantly enhanced performance with 3 orders of magnitude lower reverse gate leakage current, a lower off-state current of 1 × 10−7 mA/mm, a higher on/off current ratio of 108, and lower on-resistance of 5.40 Ω mm. The frequency-dependent conductance measurement was performed to analyze the BN/HEMT interface, unveiling a low interface trap state density (Dit) on the order of 5 × 1011–6 × 1011 cm−2 eV−1. This work shows the effectiveness of low-temperature BN dielectrics and their potential for advancing GaN MISHEMTs toward high-performance power and RF electronics applications.

Physics↗
DOE OSTI2017

Modes of a nonlinear planar waveguide with a dielectric layer immersed in a hyperbolic medium

The guided waves of a symmetric planar waveguide formed by an isotropic dielectric placed in a hyperbolic medium and having a cubic-nonlinear response are studied theoretically. The optical axis of the hyperbolic medium is directed along the normal to the interfaces between the media. If the permittivity of the waveguide core exceeds the main permittivity for an extraordinary wave in the hyperbolic medium, then each TM mode is characterised by two cut-off frequencies. Dispersion relations for these modes are found in the case of focusing and defocusing core media. The number of the modes possible at a given frequency depends on the radiation intensity. It is shown that zero values of the mode propagation constants are possible in the waveguide, which corresponds to the formation of a standing wave between the boundaries of the waveguide. In addition, in the case of a defocusing waveguide layer, such stopped modes can be obtained with increasing field intensity. The dependences of the propagation constant and the width of the transverse distribution of the mode field on the radiation intensity are found and analysed. (integrated optics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Supercooled spin liquid state in the frustrated pyrochlore Dy 2 Ti 2 O 7

A “supercooled” liquid develops when a fluid does not crystallize upon cooling below its ordering temperature. Instead, the microscopic relaxation times diverge so rapidly that, upon further cooling, equilibration eventually becomes impossible and glass formation occurs. Classic supercooled liquids exhibit specific identifiers including microscopic relaxation times diverging on a Vogel–Tammann–Fulcher (VTF) trajectory, a Havriliak–Negami (HN) form for the dielectric function ε(ω,T), and a general Kohlrausch–Williams–Watts (KWW) form for time-domain relaxation. Recently, the pyrochlore Dy 2 Ti 2 O 7 has become of interest because its frustrated magnetic interactions may, in theory, lead to highly exotic magnetic fluids. However, its true magnetic state at low temperatures has proven very difficult to identify unambiguously. Here, we introduce high-precision, boundary-free magnetization transport techniques based upon toroidal geometries and gain an improved understanding of the time- and frequency-dependent magnetization dynamics of Dy 2 Ti 2 O 7 . We demonstrate a virtually universal HN form for the magnetic susceptibility χ(ω,T), a general KWW form for the real-time magnetic relaxation, and a divergence of the microscopic magnetic relaxation rates with the VTF trajectory. Low-temperature Dy 2 Ti 2 O 7 therefore exhibits the characteristics of a supercooled magnetic liquid. Lastly, one implication is that this translationally invariant lattice of strongly correlated spins may be evolving toward an unprecedented magnetic glass state, perhaps due to many-body localization of spin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Mechanism of superconductivity in the Hubbard model at intermediate interaction strength

We study the fluctuations responsible for pairing in the d -wave superconducting state of the two-dimensional Hubbard model at intermediate coupling within a cluster dynamical mean-field theory with a numerically exact quantum impurity solver. By analyzing how momentum- and frequency-dependent fluctuations generate the d -wave superconducting state in different representations, we identify antiferromagnetic fluctuations as the pairing glue of superconductivity in both the underdoped and the overdoped regime. Nevertheless, in the intermediate coupling regime, the predominant magnetic fluctuations may differ significantly from those described by conventional spin fluctuation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

OBLIQUE SHOCKS AS THE ORIGIN OF RADIO TO GAMMA-RAY VARIABILITY IN ACTIVE GALACTIC NUCLEI

The 'shock in jet' model for centimeter-waveband blazar variability is revisited, allowing for arbitrary shock orientation with respect to the jet flow direction, and both random and ordered magnetic field. It is shown that oblique shocks can explain events with swings in polarization position angle much less than the 90{sup 0} associated with transverse structures, while retaining the general characteristics of outbursts, including spectral behavior and level of peak percentage polarization. Models dominated by a force-free, minimum energy magnetic field configuration (essentially helical) display a shallow rise in percentage polarization and frequency-dependent swing in polarization position angle not in agreement with the results of single-dish monitoring observations, implying that the field is predominantly random in the quiescent state. Outbursts well explained by the 'shock in jet' model are present during {gamma}-ray flaring in several sources, supporting the idea that shock events are responsible for activity from the radio to {gamma}-ray bands.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

TEMPERATURE STRUCTURE OF PROTOPLANETARY DISKS UNDERGOING LAYERED ACCRETION

We calculate the temperature structures of protoplanetary disks (PPDs) around T Tauri stars heated by both incident starlight and viscous dissipation. We present a new algorithm for calculating the temperatures in disks in hydrostatic and radiative equilibrium, based on Rybicki's method for iteratively calculating the vertical temperature structure within an annulus. At each iteration, the method solves for the temperature at all locations simultaneously, and converges rapidly even at high (>>10{sup 4}) optical depth. The method retains the full frequency dependence of the radiation field. We use this algorithm to study for the first time disks evolving via the magnetorotational instability. Because PPD midplanes are weakly ionized, this instability operates preferentially in their surface layers, and disks will undergo layered accretion. We find that the midplane temperatures T{sub mid} are strongly affected by the column density {Sigma}{sub a} of the active layers, even for fixed mass accretion rate M-dot . Models assuming uniform accretion predict midplane temperatures in the terrestrial planet forming region several x 10{sup 2} K higher than our layered accretion models do. For M-dot < 10{sup -7} M{sub sun} yr{sup -1} and the column densities {Sigma}{sub a} < 10 g cm{sup -2} associated with layered accretion, disk temperatures are indistinguishable from those of a passively heated disk. We find emergent spectra are insensitive to {Sigma}{sub a}, making it difficult to observationally identify disks undergoing layered versus uniform accretion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

VARIABILITY-SELECTED LOW-LUMINOSITY ACTIVE GALACTIC NUCLEI IN THE 4 Ms CHANDRA DEEP FIELD-SOUTH

The 4 Ms Chandra Deep Field-South (CDF-S) and other deep X-ray surveys have been highly effective at selecting active galactic nuclei (AGNs). However, cosmologically distant low-luminosity AGNs (LLAGNs) have remained a challenge to identify due to significant contribution from the host galaxy. We identify long-term X-ray variability ({approx}month-years, observed frame) in 20 of 92 CDF-S galaxies spanning redshifts z Almost-Equal-To 0.08-1.02 that do not meet other AGN selection criteria. We show that the observed variability cannot be explained by X-ray binary populations or ultraluminous X-ray sources, so the variability is most likely caused by accretion onto a supermassive black hole (SMBH). The variable galaxies are not heavily obscured in general, with a stacked effective power-law photon index of {Gamma}{sub stack} Almost-Equal-To 1.93 {+-} 0.13, and are therefore likely LLAGNs. The LLAGNs tend to lie a factor of Almost-Equal-To 6-80 below the extrapolated linear variability-luminosity relation measured for luminous AGNs. This may be explained by their lower accretion rates. Variability-independent black hole mass and accretion-rate estimates for variable galaxies show that they sample a significantly different black hole mass-accretion-rate space, with masses a factor of 2.4 lower and accretion rates a factor of 22.5 lower than variable luminous AGNs at the same redshift. We find that an empirical model based on a universal broken power-law power spectral density function, where the break frequency depends on SMBH mass and accretion rate, roughly reproduces the shape, but not the normalization, of the variability-luminosity trends measured for variable galaxies and more luminous AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Constraining the Baryon fraction in the warm hot intergalactic medium at low Redshifts with Planck data

We cross-correlate foreground cleaned Planck Nominal cosmic microwave background (CMB) maps with two templates constructed from the Two-Micron All-Sky Redshift Survey of galaxies. The first template traces the large-scale filamentary distribution characteristic of the Warm–Hot Intergalactic Medium (WHIM) out to ∼90 h{sup −1} Mpc. The second preferentially traces the virialized gas in unresolved halos around galaxies. We find a marginal signal from the correlation of Planck data and the WHIM template with a signal to noise from 0.84 to 1.39 at the different Planck frequencies, and with a frequency dependence compatible with the thermal Sunyaev–Zel’dovich effect. When we restrict our analysis to the 60% of the sky outside the plane of the Galaxy and known point sources and galaxy clusters, the cross-correlation at zero lag is 0.064±0.051 μK. The correlation extends out to ≈6{sup ∘}, which at the median depth of our template corresponds to a physical length of ∼6−−8 h{sup −1} Mpc. On the same fraction of the sky, the cross-correlation of the CMB data with the second template is <0.17 μK (95% C.L.), providing no statistically significant evidence of a contribution from bound gas to the previous result. This limit translates into a physical constraint on the properties of the shock-heated WHIM of a log-normal model describing the weakly nonlinear density field. We find that our upper limit is compatible with a fraction of 45% of all baryons residing in filaments at overdensities ∼1–100 and with temperatures in the range 10{sup 4.5}−−10{sup 7.5} K, in agreement with the detection at redshift z∼0.5 of Van Waerbeke et al..

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Simultaneous multi-band radio and X-ray observations of the galactic center magnetar SGR 1745–2900

We report on multi-frequency, wideband radio observations of the Galactic Center magnetar (SGR 1745–2900) with the Green Bank Telescope for ∼100 days immediately following its initial X-ray outburst in 2013 April. We made multiple simultaneous observations at 1.5, 2.0, and 8.9 GHz, allowing us to examine the magnetar's flux evolution, radio spectrum, and interstellar medium parameters (such as the dispersion measure (DM), the scattering timescale, and its index). During two epochs, we have simultaneous observations from the Chandra X-ray Observatory, which permitted the absolute alignment of the radio and X-ray profiles. As with the two other radio magnetars with published alignments, the radio profile lies within the broad peak of the X-ray profile, preceding the X-ray profile maximum by ∼0.2 rotations. We also find that the radio spectral index γ is significantly negative between ∼2 and 9 GHz; during the final ∼30 days of our observations γ∼−1.4, which is typical of canonical pulsars. The radio flux has not decreased during this outburst, whereas the long-term trends in the other radio magnetars show concomitant fading of the radio and X-ray fluxes. Finally, our wideband measurements of the DMs taken in adjacent frequency bands in tandem are stochastically inconsistent with one another. Based on recent theoretical predictions, we consider the possibility that the DM is frequency-dependent. Despite having several properties in common with the other radio magnetars, such as L{sub X,qui}/L{sub rot}≲1, an increase in the radio flux during the X-ray flux decay has not been observed thus far in other systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

XIM-A VIRTUAL X-RAY OBSERVATORY: INVESTIGATING THE X-RAY APPEARANCE AND LINE PROFILE FUNCTION OF VORTEX RINGS IN GALAXY CLUSTERS

We present virtual observations of a simulated vortex ring in a galaxy cluster (such as the Virgo Cluster, where such a ring has been observed), using the virtual X-ray observatory software XIM. We derive the expected surface brightness distributions and color maps for a vortex seen at different line-of-sight angles. We present the line profile function {phi}({delta}{nu}) for the velocity field of a vortex ring as derived from the observations and show that the line core has a frequency dependence of {phi} {proportional_to} ({delta}{nu}/{nu}{sub 0}){sup -2} and derive this form of the line profile from the analytic description of the asymptotic behavior of the velocity field of a vortex ring. We discuss further examples of the application of XIM to studies of galaxy clusters and present the capabilities and methodology of the publicly available code XIM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

On the absence of a positive sound dispersion in the THz dynamics of glycerol: an inelastic x-ray scattering study

The high frequency transport properties of glycerol are derived from inelastic x-ray scattering spectra measured at different pressures and compared with ultrasound absorption data. As a result, the presence of two distinct relaxation processes is inferred: a slow one, occurring in the GHz window and having an essentially structural character, and a fast one, related instead to microscopic degrees of freedom. While the former originates a neat increase of the apparent, i.e. frequency-dependent, sound velocity, the latter induces no visible dispersive effects on the acoustic propagation. The observed behavior is likely paradigmatic of all glass formers near or below the melting and it is here discussed and explained in some detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Intrinsic to extrinsic phonon lifetime transition in a GaAs–AlAs superlattice

We have measured here the lifetimes of two zone-center longitudinal acoustic phonon modes, at 320 and 640 GHz, in a 14 nm GaAs/2 nm AlAs superlattice structure. By comparing measurements at 296 and 79 K we separate the intrinsic contribution to phonon lifetime determined by phonon–phonon scattering from the extrinsic contribution due to defects and interface roughness. At 296 K, the 320 GHz phonon lifetime has approximately equal contributions from intrinsic and extrinsic scattering, whilst at 640 GHz it is dominated by extrinsic effects. These measurements are compared with intrinsic and extrinsic scattering rates in the superlattice obtained from first-principles lattice dynamics calculations. The calculated room-temperature intrinsic lifetime of longitudinal phonons at 320 GHz is in agreement with the experimentally measured value of 0.9 ns. The model correctly predicts the transition from predominantly intrinsic to predominantly extrinsic scattering; however the predicted transition occurs at higher frequencies. Our analysis indicates that the 'interfacial atomic disorder' model is not entirely adequate and that the observed frequency dependence of the extrinsic scattering rate is likely to be determined by a finite correlation length of interface roughness.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗