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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Communication: Molecular dynamics and {sup 1}H NMR of n-hexane in liquid crystals

The NMR spectrum of n-hexane orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy (CMA-ES). The spectrum contains over 150 000 transitions, with many sharp features appearing above a broad, underlying background signal that results from the plethora of overlapping transitions from the n-hexane as well as from the liquid crystal. The CMA-ES requires initial search ranges for NMR spectral parameters, notably the direct dipolar couplings. Several sets of such ranges were utilized, including three from MD simulations and others from the modified chord model that is specifically designed to predict hydrocarbon-chain dipolar couplings. In the end, only inaccurate dipolar couplings from an earlier study utilizing proton-proton double quantum 2D-NMR techniques on partially deuterated n-hexane provided the necessary estimates. The precise set of dipolar couplings obtained can now be used to investigate conformational averaging of n-hexane in a nematic environment.

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

Probing FeSi, a d -electron topological Kondo insulator candidate, with magnetic field, pressure, and microwaves

Recently, evidence for a conducting surface state (CSS) below 19 K was reported for the correlated d -electron small gap semiconductor FeSi. In the work reported herein, the CSS and the bulk phase of FeSi were probed via electrical resistivity ρ measurements as a function of temperature T , magnetic field B to 60 T, and pressure P to 7.6 GPa, and by means of a magnetic field-modulated microwave spectroscopy (MFMMS) technique. The properties of FeSi were also compared with those of the Kondo insulator SmB 6 to address the question of whether FeSi is a d -electron analogue of an f -electron Kondo insulator and, in addition, a “topological Kondo insulator” (TKI). The overall behavior of the magnetoresistance of FeSi at temperatures above and below the onset temperature T S = 19 K of the CSS is similar to that of SmB 6 . The two energy gaps, inferred from the ρ( T ) data in the semiconducting regime, increase with pressure up to about 7 GPa, followed by a drop which coincides with a sharp suppression of T S . Several studies of ρ( T ) under pressure on SmB 6 reveal behavior similar to that of FeSi in which the two energy gaps vanish at a critical pressure near the pressure at which T S vanishes, although the energy gaps in SmB 6 initially decrease with pressure, whereas in FeSi they increase with pressure. The MFMMS measurements showed a sharp feature at T S ≈ 19 K for FeSi, which could be due to ferromagnetic ordering of the CSS. However, no such feature was observed at T S ≈ 4.5 K for SmB 6 .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Materials and Morphology Study for Templated Hydrogen Solidification

In this work, we performed a series of experiments to elucidate the characteristics of a good template for solid hydrogen nucleation. Zinc stands out among several materials with comparable size and shape. Nucleation could be observed to occur on top of sharp features, such as grain boundaries and cracks, but our attempts proved unsuccessful to fabricate or replicate such features. The variations of the supercooling (ΔT) values measured for comparable samples and the dependence of ΔT on the cell temperature cycling revealed that templated nucleation of solid hydrogen is a very delicate process.

08 HYDROGEN↗
DOE OSTI2013

CIRCULARITY OF THE INTERSTELLAR BOUNDARY EXPLORER RIBBON OF ENHANCED ENERGETIC NEUTRAL ATOM (ENA) FLUX

As a sharp feature in the sky, the ribbon of enhanced energetic neutral atom (ENA) flux observed by the Interstellar Boundary Explorer (IBEX) mission is a key signature for understanding the interaction of the heliosphere and the interstellar medium through which we are moving. Over five nominal IBEX energy passbands (0.7, 1.1, 1.7, 2.7, and 4.3 keV), the ribbon is extraordinarily circular, with a peak location centered at ecliptic (λ{sub RC}, β{sub RC}) = (219.°2 ± 1.°3, 39.°9 ± 2.°3) and a half cone angle of φ{sub C} = 74.°5 ± 2.°0. A slight elongation of the ribbon, generally perpendicular to the ribbon center-heliospheric nose vector and with eccentricity ∼0.3, is observed over all energies. At 4.3 keV, the ribbon is slightly larger and displaced relative to lower energies. For all ENA energies, a slice of the ribbon flux peak perpendicular to the circular arc is asymmetric and systematically skewed toward the ribbon center. We derive a spatial coherence parameter δ{sub C} ≤ 0.014 that characterizes the spatial uniformity of the ribbon over its extent in the sky and is a key constraint for understanding the underlying processes and structure governing the ribbon ENA emission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Measurement of acoustic glitches in solar-type stars from oscillation frequencies observed by Kepler

For the very best and brightest asteroseismic solar-type targets observed by Kepler, the frequency precision is sufficient to determine the acoustic depths of the surface convective layer and the helium ionization zone. Such sharp features inside the acoustic cavity of the star, which we call acoustic glitches, create small oscillatory deviations from the uniform spacing of frequencies in a sequence of oscillation modes with the same spherical harmonic degree. We use these oscillatory signals to determine the acoustic locations of such features in 19 solar-type stars observed by the Kepler mission. Four independent groups of researchers utilized the oscillation frequencies themselves, the second differences of the frequencies and the ratio of the small and large separation to locate the base of the convection zone and the second helium ionization zone. Despite the significantly different methods of analysis, good agreement was found between the results of these four groups, barring a few cases. These results also agree reasonably well with the locations of these layers in representative models of the stars. These results firmly establish the presence of the oscillatory signals in the asteroseismic data and the viability of several techniques to determine the location of acoustic glitches inside stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

NuSTAR and swift observations of the fast rotating magnetized white dwarf AE Aquarii

AE Aquarii is a cataclysmic variable with the fastest known rotating magnetized white dwarf (P {sub spin} = 33.08 s). Compared to many intermediate polars, AE Aquarii shows a soft X-ray spectrum with a very low luminosity (L {sub X} ∼ 10{sup 31} erg s{sup –1}). We have analyzed overlapping observations of this system with the NuSTAR and the Swift X-ray observatories in 2012 September. We find the 0.5-30 keV spectra to be well fitted by either an optically thin thermal plasma model with three temperatures of 0.75{sub −0.45}{sup +0.18}, 2.29{sub −0.82}{sup +0.96}, and 9.33{sub −2.18}{sup +6.07} keV, or an optically thin thermal plasma model with two temperatures of 1.00{sub −0.23}{sup +0.34} and 4.64{sub −0.84}{sup +1.58} keV plus a power-law component with photon index of 2.50{sub −0.23}{sup +0.17}. The pulse profile in the 3-20 keV band is broad and approximately sinusoidal, with a pulsed fraction of 16.6% ± 2.3%. We do not find any evidence for a previously reported sharp feature in the pulse profile.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

A cosmology forecast toolkit — CosmoLib

The package CosmoLib is a combination of a cosmological Boltzmann code and a simulation toolkit to forecast the constraints on cosmological parameters from future observations. In this paper we describe the released linear-order part of the package. We discuss the stability and performance of the Boltzmann code. This is written in Newtonian gauge and including dark energy perturbations. In CosmoLib the integrator that computes the CMB angular power spectrum is optimized for a l-by-l brute-force integration, which is useful for studying inflationary models predicting sharp features in the primordial power spectrum of metric fluctuations. As an application, CosmoLib is used to study the axion monodromy inflation model that predicts cosine oscillations in the primordial power spectrum. In contrast to the previous studies by Aich et al. and Meerburg et al., we found no detection or hint of the osicllations. We pointed out that the CAMB code modified by Aich et al. does not have sufficient numerical accuracy. CosmoLib and its documentation are available at http://www.cita.utoronto.ca/∼zqhuang/CosmoLib.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Inflationary magnetogenesis without the strong coupling problem

The simplest gauge invariant models of inflationary magnetogenesis are known to suffer from the problems of either large backreaction or strong coupling, which make it difficult to self-consistently achieve cosmic magnetic fields from inflation with a field strength larger than 10{sup −32}G today on the Mpc scale. Such a strength is insufficient to act as seed for the galactic dynamo effect, which requires a magnetic field larger than 10{sup −20}G. In this paper we analyze simple extensions of the minimal model, which avoid both the strong coupling and back reaction problems, in order to generate sufficiently large magnetic fields on the Mpc scale today. First we study the possibility that the coupling function which breaks the conformal invariance of electromagnetism is non-monotonic with sharp features. Subsequently, we consider the effect of lowering the energy scale of inflation jointly with a scenario of prolonged reheating where the universe is dominated by a stiff fluid for a short period after inflation. In the latter case, a systematic study shows upper bounds for the magnetic field strength today on the Mpc scale of 10{sup −13}G for low scale inflation and 10{sup −25}G for high scale inflation, thus improving on the previous result by 7-19 orders of magnitude. These results are consistent with the strong coupling and backreaction constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Wiggly whipped inflation

Motivated by BICEP2 results on the CMB polarization B-mode which imply primordial gravitational waves are produced when the Universe has the expansion rate of about H ≈ 10{sup 14} GeV, and by deviations from a smooth power-law behavior for multipoles ℓ <50 in the CMB temperature anisotropy power spectrum found in the WMAP and Planck experiments, we have expanded our class of large field inflationary models that fit both the BICEP2 and Planck CMB observations consistently. These best-fitted large field models are found to have a transition from a faster roll to the slow roll V(φ)=m{sup 2} φ{sup 2}/2 inflation at a field value around 14.6 M{sub Pl} and thus a potential energy of V(φ) ∼ (10{sup 16} GeV){sup 4}. In general this transition with sharp features in the inflaton potential produces not only suppression of scalars relative to tensor modes at small k but also introduces wiggles in the primordial perturbation spectrum. These wiggles are shown to be useful to explain some localized features in the CMB angular power spectrum and can also have other observational consequences. Thus, primordial GW can be used now to make a tomography of inflation determining its fine structure. The resulting Wiggly Whipped Inflation scenario is described in details and the anticipated perturbation power spectra, CMB power spectra, non-Gaussianity and other observational consequences are calculated and compared to existing and forthcoming observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Quantum primordial standard clocks

In this paper, we point out and study a generic type of signals existing in the primordial universe models, which can be used to model-independently distinguish the inflation scenario from alternatives. These signals are generated by massive fields that function as standard clocks. The role of massive fields as standard clocks has been realized in previous works. Although the existence of such massive fields is generic, the previous realizations require sharp features to classically excite the oscillations of the massive clock fields. Here, we point out that the quantum fluctuations of massive fields can actually serve the same purpose as the standard clocks. We show that they are also able to directly record the defining property of the scenario type, namely, the scale factor of the primordial universe as a function of time a(t), but through shape-dependent oscillatory features in non-Gaussianities. Since quantum fluctuating massive fields exist in any realistic primordial universe models, these quantum primordial standard clock signals are present in any inflation models, and should exist quite generally in alternative-to-inflation scenarios as well. However, the amplitude of such signals is very model-dependent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Prospects for annihilating Dark Matter towards Milky Way's dwarf galaxies by the Cherenkov Telescope Array

We derive the Cherenkov Telescope Array (CTA) sensitivity to dark matter (DM) annihilation in several primary channels, over a broad range of DM masses. These sensitivities are estimated when CTA is pointed towards a large sample of Milky Way's dwarf spheroidal galaxies (dSphs) with promising J -factors and small statistical uncertainties. This analysis neglects systematic uncertainties, which we estimate at the level of at least 1 dex. We also present sensitivities on the annihilation cross section from a combined analysis of 4 dSphs. We assess the CTA sensitivity by: i ) using, for each dSph, a recent determination of the J -factor and its statistical error; ii ) considering the most up-to-date cosmic ray background; and iii ) including both spatial and spectral terms in the likelihood analysis. We find that a joint spectral and spatial analysis improves the CTA sensitivity, in particular for primary channels with sharp features in the γ-ray energy spectrum and for dSphs with steep J -factor profiles, as deduced from the internal kinematics. The greatest sensitivities are obtained for observations of Ursa Minor among the classical dSphs and of Ursa Major II for ultra-faint dSphs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

An emulator for the Lyman-α forest in beyond-ΛCDM cosmologies

Interpreting observations of the Lyman-α forest flux power spectrum requires interpolation between a small number of expensive simulations. We present a Gaussian process emulator modelling the 1D flux power spectrum as a function of the amplitude and slope of the small-scale linear matter power spectrum, and the state of the intergalactic medium at the epoch of interest (2 < z < 4). This parameterisation enables the prediction of the flux power spectrum in extended cosmological models that are not explicitly included in the training set, eliminating the need to construct bespoke emulators for a number of extensions to ΛCDM. Our emulator is appropriate for cosmologies in which the linear matter power spectrum is described to percent level accuracy by just an amplitude and slope across the epoch of interest, and in the regime probed by eBOSS/DESI data. We demonstrate this for massive neutrino cosmologies, where the emulator is able to predict the flux power spectrum in a Σm ν = 0.3 eV neutrino cosmology to sub-percent accuracy, without including massive neutrinos in the training simulations. Further parameters would be required to describe models with sharp features in the linear power, such as warm or light axion dark matter. This work will facilitate the combination of upcoming DESI data with observations of the cosmic microwave background, to obtain constraints on neutrino mass and other extensions to ΛCDM cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Clusters have edges: the projected phase-space structure of SDSS redMaPPer clusters

ABSTRACT We study the distribution of line-of-sight velocities of galaxies in the vicinity of Sloan Digital Sky Survey (SDSS) red-sequence Matched-filter Probabilistic Percolation (redMaPPer) galaxy clusters. Based on their velocities, galaxies can be split into two categories: galaxies that are dynamically associated with the cluster, and random line-of-sight projections. Both the fraction of galaxies associated with the galaxy clusters, and the velocity dispersion of the same, exhibit a sharp feature as a function of radius. The feature occurs at a radial scale Redge ≈ 2.2Rλ, where Rλ is the cluster radius assigned by redMaPPer. We refer to Redge as the ‘edge radius’. These results are naturally explained by a model that further splits the galaxies dynamically associated with a galaxy cluster into a component of galaxies orbiting the halo and an infalling galaxy component. The edge radius Redge constitutes a true ‘cluster edge’, in the sense that no orbiting structures exist past this radius. A companion paper tests whether the ‘halo edge’ hypothesis holds when investigating the full three-dimensional phase-space distribution of dark matter substructures in numerical simulations, and demonstrates that this radius coincides with a suitably defined splashback radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Spin crossovers and superdiffusion in the one-dimensional Hubbard model

We use tools from integrability and generalized hydrodynamics to study finite-temperature dynamics in the one-dimensional Hubbard model. First, we examine charge, spin, and energy transport away from half-filling and zero magnetization, focusing on the strong coupling regime where we identify a rich interplay of temperature and energy scales, with crossovers between distinct dynamical regimes. We identify an intermediate-temperature regime analogous to the spin-incoherent Luttinger liquid, where spin degrees of freedom are hot but charge degrees of freedom are at low temperature. We demonstrate that the spin Drude weight exhibits sharp features at the crossover between this regime and the low-temperature Luttinger liquid regime, which are absent in the charge and energy response, and rationalize this behavior in terms of the properties of Bethe ansatz quasiparticles.We then turn to the dynamics along special lines in the phase diagram corresponding to half-filling and/or zero magnetization where on general grounds we anticipate that the transport is subballistic but superdiffusive. We provide analytical and numerical evidence for Kardar-Parisi-Zhang (KPZ) dynamical scaling (with length and time scales related via x ~ t 2/3 ) along both lines and at the SO(4)-symmetric point where they intersect. Furthermore, our results suggest that both spin-coherence crossovers and KPZ scaling may be accessed in near-term experiments with optical lattice Hubbard emulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation

Green's functions of fermions are described by matrix-valued Herglotz-Nevanlinna functions. Since analytic continuation is fundamentally an ill-posed problem, the causal space described by the matrix-valued Herglotz-Nevanlinna structure can be instrumental in improving the accuracy and in enhancing the robustness with respect to noise. We demonstrate a three-pronged procedure for robust analytic continuation called PES: (1) projection of data to the causal space; (2) estimation of pole locations; and (3) semidefinite relaxation within the causal space. We compare the performance of PES with the recently developed Nevanlinna and Carathéodory continuation methods and find that PES is more robust in the presence of noise and does not require the usage of extended precision arithmetics. We also demonstrate that a causal projection improves the performance of the Nevanlinna and Carathéodory methods. The PES method is generalized to bosonic response functions, for which the Nevanlinna and Carathéodory continuation methods have not yet been developed. Furthermore, it is particularly useful for studying spectra with sharp features, as they occur in the study of molecules and band structures in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Resonant inelastic x-ray scattering in the topological semimetal FeSi

The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the electronic structure of the three-dimensional bulk. In this paper, we present a joint theory-experiment study of the electronic structure of a candidate topological semimetal with resonant inelastic x-ray scattering (RIXS). We resolve the bulk electronic states of FeSi using momentum-dependent RIXS at the Fe L 3 edge. We observe a broad excitation continuum devoid of sharp features, consistent with particle-hole scattering in an underlying electronic band structure. Using density functional theory (DFT), we calculate the electronic structure of FeSi and derive a band theory formulation of RIXS in the fast collision approximation to model the scattering process with zero adjustable parameters. While band theory predicts an excitation continuum with broad spectral features similar to the observed ones, discrepancies between theory and experiment suggest the presence of low-energy processes that DFT alone does not account for. Further, this study of RIXS in a topological semimetal shows that RIXS is a useful tool for revealing unanticipated behavior of bulk electronic states in this class of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Low-energy edge signatures of the Kitaev spin liquid

Recent experimental work indicates that the Kitaev spin liquid may be realizable close to zero magnetic field in exfoliated 𝛼−RuCl 3 flakes, thus providing a more versatile setting for studying non-Abelian anyons. Here, we propose a robust nanoscale signature of the Kitaev spin liquid that results from its edge states and manifests in the low-energy spin dynamics. In particular, we highlight a singular peak in the dynamical spin structure factor of a zigzag edge whose energy scales linearly with only one component of the magnetic field. This sharp feature in the local spin dynamics directly reflects the bond-directional Kitaev spin interactions and, more generally, the projective symmetries of the Kitaev spin liquid. In conclusion, we demonstrate that our proposed signature survives in the presence of edge disorder as well as non-Kitaev interactions, and provide detailed guidelines for experimentally observing it using inelastic electron tunneling spectroscopy and color-center relaxometry.

Color centers↗
DOE OSTI2024

Physically interpretable approximations of many-body spectral functions

The rational function approximation provides a natural and interpretable representation of response functions such as the many-body spectral functions. We apply the vector fitting (VFIT) algorithm to fit a variety of spectral functions calculated from the Holstein model of electron-phonon interactions. We show that the resulting rational functions are highly efficient in their fitting of sharp features in the spectral functions, and could provide a means to infer physically relevant information from a spectral data set. The position of the peaks in the approximated spectral function are determined by the location of poles in the complex plane. Additionally, we developed a variant of VFIT that incorporates regularization to improve the quality of fits. With this procedure, we demonstrate it is possible to achieve accurate spectral function fits that vary smoothly as a function of physical conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗