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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 379 records · Page 21

Phase-weighted slant stacking for surface wave dispersion measurement

SUMMARY Surface wave retrieval from ambient noise records using seismic interferometry techniques has been widely used for multiscale shear wave velocity (Vs) imaging. One key step during Vs imaging is the generation of dispersion spectra and the extraction of a reliable dispersion curve from the retrieved surface waves. However, the sparse array geometry usually affects the ability for high-frequency (>1 Hz) seismic signals’ acquisition. Dispersion measurements are degraded by array response due to sparse sampling and often present smeared dispersion spectra with sidelobe artefacts. Previous studies usually focus on interferograms’ domain (e.g. cross-correlation function) and attempt to enhance coherent signals before dispersion measurement. We propose an alternative technique to explicitly deblur dispersion spectra through use of a phase-weighted slant-stacking algorithm. Numerical examples demonstrate the strength of the proposed technique to attenuate array responses as well as incoherent noise. Three different field examples prove the flexibility and superiority of the proposed technique: the first data set consists of ambient noise records acquired using a nodal seismometer array; the second data set utilizes distributed acoustic sensing (DAS) and a marine fibre-optic cable to acquire a similar ambient noise data set; the last data set is a vibrator-based active-source surface wave data. The enhanced dispersion measurements provide cleaner and higher-resolution spectra without distortions which will assist both human interpreters as well as ML algorithms in efficiently picking curves for subsequent Vs inversion.

58 GEOSCIENCES↗

Brightest galaxies as halo centre tracers in SDSS DR7

Determining the positions of halo centres in large-scale structure surveys is crucial for many cosmological studies. A common assumption is that halo centres correspond to the location of their brightest member galaxies. In this paper, we study the dynamics of brightest galaxies with respect to other halo members in the Sloan Digital Sky Survey DR7. Specifically, we look at the line-of-sight velocity and spatial offsets between brightest galaxies and their neighbours. We compare those to detailed mock catalogues, constructed from high-resolution, dark-matter-only N-body simulations, in which it is assumed that satellite galaxies trace dark matter subhaloes. This allows us to place constraints on the fraction f(BNC) of haloes in which the brightest galaxy is not the central. Compared to previous studies, we explicitly take into account the unrelaxed state of the host haloes, velocity offsets of halo cores and correlations between f(BNC) and the satellite occupation. We find that f(BNC) strongly decreases with the luminosity of the brightest galaxy and increases with the mass of the host halo. Overall, in the halo mass range 10(13-)10(14.5) h(-1) M-circle dot we find f(BNC) similar to 30 per cent, in good agreement with a previous study by Skibba et al. We discuss the implications of these findings for studies inferring the galaxy-halo connection from satellite kinematics, models of the conditional luminosity function and galaxy formation in general

cosmology: dark matter↗

The influence of defects on magnetic properties of fcc-Pu

The influence of vacancies and interstitial atoms on magnetism in Pu is considered in the framework of the density functional theory. The crystal structure relaxation arising due to various types of defects is calculated using the molecular dynamics method with a modified embedded atom model. The local density approximation with explicit inclusion of Coulomb and spin-orbit interactions is applied in matrix invariant form to describe correlation effects in Pu with these types of defects. The calculations show that both vacancies and interstitials give rise to local moments in the f-shell of Pu in good agreement with experimental data for aged Pu. Magnetism appears due to the destruction of a delicate balance between spin-orbit and exchange interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Kinematic and Microphysical Control of Lightning Flash Rate over Northern Alabama

The Deep Convective Clouds and Chemistry (DC3) experiment seeks to examine the relationship between deep convection and the production of nitrogen oxides (NO (sub x)) via lightning (LNO (sub x)). A critical step in estimating LNO (sub x) production in a cloud-resolving model (CRM) without explicit lightning is to estimate the flash rate from available model parameters that are statistically and physically correlated. As such, the objective of this study is to develop, improve and evaluate lightning flash rate parameterizations in a variety of meteorological environments and storm types using radar and lightning mapping array (LMA) observations taken over Northern Alabama from 2005-2012, including during DC3. UAH's Advanced Radar for Meteorological and Operational Research (ARMOR) and the Weather Surveillance Radar - 1988 Doppler (WSR 88D) located at Hytop (KHTX) comprises the dual-Doppler and polarimetric radar network, which has been in operation since 2004. The northern Alabama LMA (NA LMA) in conjunction with Vaisala's National Lightning Detection Network (NLDN) allow for a detailed depiction of total lightning during this period. This study will integrate ARMOR-KHTX dual Doppler/polarimetric radar and NA LMA lightning observations from past and ongoing studies, including the more recent DC3 results, over northern Alabama to form a large data set of 15-20 case days and over 20 individual storms, including both ordinary multicell and supercell convection. Several flash rate parameterizations will be developed and tested, including those based on 1) graupel/small hail volume; 2) graupel/small hail mass, and 3) convective updraft volume. Sensitivity of the flash rate parameterizations to storm intensity, storm morphology and environmental conditions will be explored.

Carey, Lawrence D.↗

Quantum correlations and least disturbing local measurements

We examine the evaluation of the minimum information loss due to an unread local measurement in mixed states of bipartite systems, for a general entropic form. Such a quantity provides a measure of quantum correlations, reducing for pure states to the generalized entanglement entropy, while in the case of mixed states it vanishes just for classically correlated states with respect to the measured system, as the quantum discord. General stationary conditions are provided, together with their explicit form for general two-qubit states. Closed expressions for the minimum information loss as measured by quadratic and cubic entropies are also derived for general states of two-qubit systems. As an application, we analyze the case of states with maximally mixed marginals, where a general evaluation is provided, as well as X states and the mixture of two aligned states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the equation-of-motion versus in-in approach in cosmological perturbation theory

In this paper, we study several issues in the linear equation-of-motion (EoM) and in-in approaches of computing the two-point correlation functions in multi-field inflation. We prove the equivalence between this EoM approach and the first-principle in-in formalism. We check this equivalence using several explicit examples, including cases with scale-invariant corrections and scale-dependent features. Motivated by the explicit proof, we show that the usual procedures in these approaches can be extended and applied to some interesting model categories beyond what has been studied in the literature so far. These include the density perturbations with strong couplings and correlated multi-field initial states.

79 ASTRONOMY AND ASTROPHYSICS↗

Geometric phases and quantum correlations dynamics in spin-boson model

We explore the dynamics of spin-boson model for the Ohmic bath by employing the master equation approach and obtain an explicit expression of reduced density matrix. We also calculate the geometric phases of the spin-boson model by making use of the analytical results and discuss how the dissipative bosonic environment affects geometric phases. Furthermore, we investigate the dynamics of quantum discord and entanglement of two qubits each locally interacting with its own independent bosonic environments. It is found that the decay properties of quantum discord and entanglement are sensitive to the choice of initial state's parameter and coupling strength between system and bath.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On information loss in AdS 3 /CFT 2

We discuss information loss from black hole physics in AdS 3 , focusing on two sharp signatures infecting CFT 2 correlators at large central charge c: ‘forbidden singularities’ arising from Euclidean-time periodicity due to the effective Hawking temperature, and late-time exponential decay in the Lorentzian region. We study an infinite class of examples where forbidden singularities can be resolved by non-perturbative effects at finite c, and we show that the resolution has certain universal features that also apply in the general case. Analytically continuing to the Lorentzian regime, we find that the non-perturbative effects that resolve forbidden singularities qualitatively change the behavior of correlators at times t ~S BH , the black hole entropy. This may resolve the exponential decay of correlators at late times in black hole backgrounds. By Borel resumming the 1/c expansion of exact examples, we explicitly identify ‘information-restoring’ effects from heavy states that should correspond to classical solutions in AdS 3 . Lastly, our results suggest a line of inquiry towards a more precise formulation of the gravitational path integral in AdS 3 .

1/N expansion↗

Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green’s function methods: Theory and application to GW and GF2

One-particle Green’s function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green’s functions directly provide electronic energies and one-particle properties, such as dipole moment. However, the evaluation of two-particle properties, such as $\langle$S 2 $\rangle$ and $\langle$N 2 $\rangle$, can be challenging because they require a solution of the computationally expensive Bethe–Salpeter equation to find two-particle Green’s functions. We demonstrate that the solution of the Bethe–Salpeter equation can be completely avoided. Applying the thermodynamic Hellmann–Feynman theorem to self-consistent one-particle Green’s function methods, we derive expressions for two-particle density matrices in a general case and provide explicit expressions for GF2 and GW methods. Such density matrices can be decomposed into an antisymmetrized product of correlated one-electron density matrices and the two-particle electronic cumulant of the density matrix. Cumulant expressions reveal a deviation from ensemble representability for GW, explaining its known deficiencies. We analyze the temperature dependence of $\langle$S 2 $\rangle$ and $\langle$N 2 $\rangle$ for a set of small closed-shell systems. Interestingly, both GF2 and GW show a non-zero spin contamination and a non-zero fluctuation of the number of particles for closed-shell systems at the zero-temperature limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibronic coupling in light-harvesting complex II revisited

A growing body of work has pointed to vibronic mixing as a crucial design principle for efficient energy and charge transfer in natural and artificial systems.= Notable among these studies was the recent observation of vibronically promoted ultrafast energy flow in the major antenna complex of green plants and algae light-harvesting complex II (LHCII)—the most abundant membrane protein on the Earth—via the emerging experimental technique two-dimensional electronic-vibrational (2DEV) spectroscopy. This spectroscopy, which correlates electronic and nuclear degrees-of-freedom, shows promise for providing mechanistic insight into vibronic coupling; however, explicit theoretical input is necessary to extract such a detail. In a separate paper, we have developed a heterodimer model that describes various forms of vibronic coupling—which were speculated to be present in LHCII—resulting from diagonal electron–phonon coupling giving Franck–Condon (FC) activity and the nuclear dependence of the electronic transition dipole moment giving Herzberg–Teller (HT) activity. Here, we draw connections between this theoretical work and recent experimental studies in order to demonstrate how HT activity is leveraged in the function of LHCII.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theory and application of the vector pair correlation function for real-space crystallographic analysis of order/disorder correlations from STEM images

Deviations of local structure and chemistry from the average crystalline unit cell are increasingly recognized to have a significant influence on the properties of many technologically important materials. Here, we present the vector pair correlation function (vPCF) as a new real-space crystallographic analysis method, which can be applied to atomic-resolution scanning transmission electron microscopy (STEM) images to quantify and analyze structural order/disorder correlations. Our STEM-based vPCFs have several advantages over radial PCFs and/or 3D pair distribution functions from x-ray total scattering: vPCFs explicitly retain crystallographic orientation information, are spatially resolved, can be applied directly on a sublattice basis, and are suitable for any material that can be imaged with STEM. To show the utility of our approach, we measure partial vPCFs in Ba 5 SmSn 3 Nb 7 O 30 (BSSN), a tetragonal tungsten bronze (TTB) structured complex oxide. Many TTBs are known to be classical or relaxor ferroelectrics, and these properties have been correlated with the presence of superlattice ordering. BSSN, specifically, exhibits relaxor behavior and an incommensurate structural modulation. From the vPCF data, we observe that, of the cation sites, only the Ba (A2) sublattice is structurally modulated. We then infer the local modulation vector and reveal a marked anisotropy in its correlation length. Finally, short-range correlated polar displacements on the B2 cation sites are observed. This work introduces the vPCF as a powerful real-space crystallography technique, which enables direct, robust quantification of short-to-long range order on a sublattice-specific basis and is applicable to a wide range of complex material types.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The radio loudness of SDSS quasars from the LOFAR Two-metre Sky Survey: ubiquitous jet activity and constraints on star formation

ABSTRACT We examine the distribution of radio emission from ∼42 000 quasars from the Sloan Digital Sky Survey, as measured in the LOFAR Two-metre Sky Survey (LoTSS). We present a model of the radio luminosity distribution of the quasars that assumes that every quasar displays a superposition of two sources of radio emission: active galactic nuclei (jets) and star formation. Our two-component model provides an excellent match to the observed radio flux density distributions across a wide range of redshifts and quasar optical luminosities; this suggests that the jet-launching mechanism operates in all quasars but with different powering efficiency. The wide distribution of jet powers allows for a smooth transition between the ‘radio-quiet’ and ‘radio-loud’ quasar regimes, without need for any explicit bimodality. The best-fitting model parameters indicate that the star formation rate of quasar host galaxies correlates strongly with quasar luminosity and also increases with redshift at least out to z ∼ 2. For a model where star formation rate scales as $L_{\rm bol}^{\alpha } (1+z)^{\beta }$, we find α = 0.47 ± 0.01 and β = 1.61 ± 0.05, in agreement with far-infrared studies. Quasars contribute ≈0.15 per cent of the cosmic star formation rate density at z = 0.5, rising to 0.4 per cent by z ∼ 2. The typical radio jet power is seen to increase with both increasing optical luminosity and black hole mass independently, but does not vary with redshift, suggesting intrinsic properties govern the production of the radio jets. We discuss the implications of these results for the triggering of quasar activity and the launching of jets.

79 ASTRONOMY AND ASTROPHYSICS↗

Pulse control of sudden transition for two qubits in XY spin baths and quantum phase transition

We study the dynamics of two initially correlated qubits coupled to their own separate spin baths modeled by an XY spin chain and find the explicit expression of the quantum discord for the system. A sudden transition is found to exist between classical and quantum decoherence by choosing certain initial states. We show that the sudden transition happens near the critical point, which provides an alternative way to characterize the quantum phase transition. Furthermore, we propose a scheme to prolong the transition time of the quantum discord by applying the bang-bang pulses.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fermi Large Area Telescope Fourth Source Catalog

We present the fourth Fermi Large Area Telescope catalog (4FGL) of γ-ray sources. Based on the first eight years of science data from the Fermi Gamma-ray Space Telescope mission in the energy range from 50 MeV to 1 TeV, it is the deepest yet in this energy range. Relative to the 3FGL catalog, the 4FGL catalog has twice as much exposure as well as a number of analysis improvements, including an updated model for the Galactic diffuse γ-ray emission, and two sets of light curves (one-year and two-month intervals). The 4FGL catalog includes 5064 sources above 4σ significance, for which we provide localization and spectral properties. Seventy-five sources are modeled explicitly as spatially extended, and overall, 358 sources are considered as identified based on angular extent, periodicity, or correlated variability observed at other wavelengths. For 1336 sources, we have not found plausible counterparts at other wavelengths. More than 3130 of the identified or associated sources are active galaxies of the blazar class, and 239 are pulsars.

79 ASTRONOMY AND ASTROPHYSICS↗

Fermi Large Area Telescope Fourth Source Catalog

We present the fourth Fermi Large Area Telescope catalog (4FGL) of gamma-ray sources. Based on the first eight years of science data from the Fermi Gamma-ray Space Telescope mission in the energy range from 50 MeV to 1 TeV, it is the deepest yet in this energy range. Relative to the 3FGL catalog, the 4FGL catalog has twice as much exposure as well as a number of analysis improvements, including an updated model for the Galactic diffuse gamma-ray emission, and two sets of light curves (one-year and two-month intervals). The 4FGL catalog includes 5064 sources above 4 sigma significance, for which we provide localization and spectral properties. Seventy-five sources are modeled explicitly as spatially extended, and overall, 358 sources are considered as identified based on angular extent, periodicity, or correlated variability observed at other wavelengths. For 1336 sources, we have not found plausible counterparts at other wavelengths. More than 3130 of the identified or associated sources are active galaxies of the blazar class, and 239 are pulsars.

S. Abdollahi↗

TALSPEAK EXTRACTION SYSTEM UNDER VARIABLE LOADING CONDITIONS - PART 2: SPECIATION STUDIES

The reported investigation was performed to gain structural information on the organic phase complex species in the Trivalent Actinide-Lanthanide Separation by Phosphorus reagent Extraction from Aqueous Komplexes (TALSPEAK) process under various loading conditions. In conjunction with the distribution studies of the TALSPEAK system constituents, presented in Part 1 of this investigation, loaded bis(2-ethylhexyl) phosphoric acid (HDEHP)/isooctane was evaluated using various spectroscopic techniques including NMR, FTIR and visible absorbance spectroscopy. Liquid-liquid distribution and vapor pressure osmometry (VPO) aggregation results correlate with observed changes in the spectroscopic signatures as a function of organic phase loading and water partitioning. Explicit FTIR spectral interpretation of the HDEHP spectra is complex due to overlapping phosphorus absorbance bands, and in this work a combination of the spectroscopic techniques was utilized to elucidate the phosphorus-lanthanide complex structure and changes in speciation due to aggregation. The results from this research will benefit an overall improved prediction of the TALSPEAK process performance under flow conditions.

99 GENERAL AND MISCELLANEOUS↗

A convex pseudolikelihood framework for high dimensional partial correlation estimation with convergence guarantees

Sparse high dimensional graphical model selection is a topic of much interest in modern day statistics. A popular approach is to apply l1-penalties to either parametric likelihoods, or regularized regression/pseudolikelihoods, with the latter having the distinct advantage that they do not explicitly assume Gaussianity. As none of the popular methods proposed for solving pseudolikelihood-based objective functions have provable convergence guarantees, it is not clear whether corresponding estimators exist or are even computable, or if they actually yield correct partial correlation graphs. We propose a new pseudolikelihood-based graphical model selection method that aims to overcome some of the shortcomings of current methods, but at the same time retain all their respective strengths. In particular, we introduce a novel framework that leads to a convex formulation of the partial covariance regression graph problem, resulting in an objective function comprised of quadratic forms. The objective is then optimized via a coordinate wise approach. The specific functional form of the objective function facilitates rigorous convergence analysis leading to convergence guarantees; an important property that cannot be established by using standard results, when the dimension is larger than the sample size, as is often the case in high dimensional applications. These convergence guarantees ensure that estimators are well defined under very general conditions and are always computable. In addition, the approach yields estimators that have good large sample properties and also respect symmetry. Furthermore, application to simulated and real data, timing comparisons and numerical convergence is demonstrated. We also present a novel unifying framework that places all graphical pseudolikelihood methods as special cases of a more general formulation, leading to important insights.

97 MATHEMATICS AND COMPUTING↗

Scale-adaptive tensor algebra for local many-body methods of electronic structure theory

While the formalism of multiresolution analysis (MRA), based on wavelets and adaptive integral representations of operators, is actively progressing in electronic structure theory (mostly on the independent-particle level and, recently, second-order perturbation theory), the concepts of multiresolution and adaptivity can also be utilized within the traditional formulation of correlated (many-particle) theory which is based on second quantization and the corresponding (generally nonorthogonal) tensor algebra. In this paper, we present a formalism called scale-adaptive tensor algebra (SATA) which exploits an adaptive representation of tensors of many-body operators via the local adjustment of the basis set quality. Given a series of locally supported fragment bases of a progressively lower quality, we formulate the explicit rules for tensor algebra operations dealing with adaptively resolved tensor operands. The formalism suggested is expected to enhance the applicability and reliability of local correlated many-body methods of electronic structure theory, especially those directly based on atomic orbitals (or any other localized basis functions).

Liakh, Dmitry I↗