Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CORRELATION FUNCTION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

COSMIC EMULATION: FAST PREDICTIONS FOR THE GALAXY POWER SPECTRUM

The halo occupation distribution (HOD) approach has proven to be an effective method for modeling galaxy clustering and bias. In this approach, galaxies of a given type are probabilistically assigned to individual halos in N-body simulations. In this paper, we present a fast emulator for predicting the fully nonlinear galaxy–galaxy auto and galaxy–dark matter cross power spectrum and correlation function over a range of freely specifiable HOD modeling parameters. The emulator is constructed using results from 100 HOD models run on a large ΛCDM N-body simulation, with Gaussian Process interpolation applied to a PCA-based representation of the galaxy power spectrum. The total error is currently ∼1% in the auto correlations and ∼2% in the cross correlations from z = 1 to z = 0, over the considered parameter range. We use the emulator to investigate the accuracy of various analytic prescriptions for the galaxy power spectrum, parametric dependencies in the HOD model, and the behavior of galaxy bias as a function of HOD parameters. Additionally, we obtain fully nonlinear predictions for tangential shear correlations induced by galaxy–galaxy lensing from our galaxy–dark matter cross power spectrum emulator. All emulation products are publicly available at http://www.hep.anl.gov/cosmology/CosmicEmu/emu.html.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Galaxy and Mass Assembly (GAMA): Exploring the WISE Web in G12

We present an analysis of the mid-infrared Wide-field Infrared Survey Explorer (WISE) sources seen within the equatorial GAMA G12 field, located in the North Galactic Cap. Our motivation is to study and characterize the behavior of WISE source populations in anticipation of the deep multiwavelength surveys that will define the next decade, with the principal science goal of mapping the 3D large-scale structures and determining the global physical attributes of the host galaxies. In combination with cosmological redshifts, we identify galaxies from their WISE W1 (3.4 μm) resolved emission, and we also perform a star-galaxy separation using apparent magnitude, colors, and statistical modeling of star counts. The resulting galaxy catalog has ≃590,000 sources in 60 deg{sup 2}, reaching a W1 5σ depth of 31 μJy. At the faint end, where redshifts are not available, we employ a luminosity function analysis to show that approximately 27% of all WISE extragalactic sources to a limit of 17.5 mag (31 μJy) are at high redshift, z>1. The spatial distribution is investigated using two-point correlation functions and a 3D source density characterization at 5 Mpc and 20 Mpc scales. For angular distributions, we find that brighter and more massive sources are strongly clustered relative to fainter sources with lower mass; likewise, based on WISE colors, spheroidal galaxies have the strongest clustering, while late-type disk galaxies have the lowest clustering amplitudes. In three dimensions, we find a number of distinct groupings, often bridged by filaments and superstructures. Using special visualization tools, we map these structures, exploring how clustering may play a role with stellar mass and galaxy type.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Entanglement Structure of Non-Gaussian States and How to Measure It

Rapidly growing capabilities of quantum simulators to probe quantum many-body phenomena require new methods to characterize increasingly complex states. Here, we present a protocol that constrains quantum states using experimentally measured correlation functions. This method enables measurement of a quantum state’s entanglement structure, opening a new route to study entanglement-related phenomena. Our approach extends Gaussian state parameterizations by systematically incorporating higher-order correlations. We show the protocol’s usefulness in conjunction with current and forthcoming experimental capabilities, focusing on weakly interacting fermions as a proof of concept. Here, the lowest nontrivial expansion quantitatively predicts early time thermalization dynamics, including signaling the onset of quantum chaos indicated by the entanglement Hamiltonian.

Fermi gases↗
DOE OSTI2022

Path Integrals for Nonadiabatic Dynamics: Multistate Ring Polymer Molecular Dynamics

This review focuses on a recent class of path-integral-based methods for the simulation of nonadiabatic dynamics in the condensed phase using only classical molecular dynamics trajectories in an extended phase space. Specifically, a semiclassical mapping protocol is used to derive an exact, continuous, Cartesian variable path-integral representation for the canonical partition function of a system in which multiple electronic states are coupled to nuclear degrees of freedom. Building on this exact statistical foundation, multistate ring polymer molecular dynamics methods are developed for the approximate calculation of real-time thermal correlation functions. As a result, the remarkable promise of these multistate ring polymer methods, their successful applications, and their limitations are discussed in detail.

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

Broadband radiation transport in an optically dense gas in the presence of an RF field

The theory of transport of fluctuating double-frequency optical radiation in a gas of three-level atoms in the presence of rf radiation forming a closed excitation circuit has been generalized. The theory is based on the quantum kinetic equations for the atomic density matrix, which are solved together with the wave equations for classical electromagnetic fields. After averaging over the radiation fluctuation ensemble, a transition is made to equations for atomic-field correlation functions and transport equations for the spectral density of fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Signatures of anisotropic sources in the trispectrum of the cosmic microwave background

Soft limits of N-point correlation functions, in which one wavenumber is much smaller than the others, play a special role in constraining the physics of inflation. Anisotropic sources such as a vector field during inflation generate distinct angular dependence in all these correlators, and introduce a fix privileged direction in our sky. In this paper we focus on the four-point correlator (the trispectrum T). We adopt a parametrization motivated by models in which the inflaton φ is coupled to a vector field through a I{sup 2}(φ)F{sup 2} interaction, namely T{sub ζ}(k{sub 1},k{sub 2},k{sub 3},k{sub 4})≡∑{sub n}d{sub n}[P{sub n}( k-circumflex {sub 1}⋅ k-circumflex {sub 3})+P{sub n}( k-circumflex {sub 1}⋅ k-circumflex {sub 12})+P{sub n}( k-circumflex {sub 3}⋅ k-circumflex {sub 12})]P{sub ζ}(k{sub 1})P{sub ζ}(k{sub 3})P{sub ζ}(k{sub 12})+(23perm), where P{sub n} denotes the Legendre polynomials. This shape is enhanced when the wavenumbers of the diagonals of the quadrilateral are much smaller than the sides, k{sub i}. The coefficient of the isotropic part, d{sub 0}, is equal to τ{sub NL}/6 discussed in the literature. A I{sup 2}(φ)F{sup 2} interaction generates d{sub 2} = 2d{sub 0} which is, in turn, related to the quadrupole modulation parameter of the power spectrum, g{sub *}, as d{sub 2} ≈ 14|g{sub *}|N{sup 2} with N ≈ 60. We show that d{sub 0} and d{sub 2} can be equally well-constrained: the expected 68% CL error bars on these coefficients from a cosmic-variance-limited experiment measuring temperature anisotropy of the cosmic microwave background up to ℓ{sub max} = 2000 are δd{sub 2} ≈ 4δd{sub 0} = 105. Therefore, we can reach |g{sub *}| = 10{sup −3} by measuring the angle-dependent trispectrum. The current upper limit on τ{sub NL} from the Planck temperature maps yields |g{sub *}| < 0.02 (95% CL)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Reliable Potential Energy Surfaces for the Reactions of H 2 O with ThO 2 , PaO 2 + , UO 2 2+ , and UO 2 +

The potential energy surfaces for the reactions of H 2 O with ThO 2 , PaO 2 + , UO 2 2+ , and UO 2 + have been calculated at the coupled cluster CCSD(T) level extrapolated to the complete basis set limit with additional corrections including scalar relativistic and spin-orbit. The reactions proceed by the formation of an initial Lewis acid-base adduct (H 2 O)AnO 2 0/+/2+ followed by a proton transfer to generate the dihydroxide AnO(OH) 2 0/+/2+ . The results are in excellent agreement with mass spectrometry experiments and prior calculations of hydrolysis reactions of the group 4 transition metal dioxides MO 2 . The differences in the energies of the stationary points on the potential energy surface are explained in terms of the charges on the system and the populations on the metal center. The use of an improved starting point for the coupled cluster CCSD(T) calculations based on density functional theory with the PW91 exchange-correlation functional or Brueckner orbitals is described. The importance of including second-order spin-orbit corrections for closed-shell molecules is also described. These improvements in the calculations are then correlated with the 5f populations on the actinide.

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

Conservation of ζ with radiative corrections from heavy field

In this paper, we address a possible impact of radiative corrections from a heavy scalar field χ on the curvature perturbation ζ. Integrating out χ, we derive the effective action for ζ, which includes the loop corrections of the heavy field χ. When the mass of χ is much larger than the Hubble scale H, the loop corrections of χ only yield a local contribution to the effective action and hence the effective action simply gives an action for ζ in a single field model, where, as is widely known, ζ is conserved in time after the Hubble crossing time. Meanwhile, when the mass of χ is comparable to H, the loop corrections of χ can give a non-local contribution to the effective action. Because of the non-local contribution from χ, in general, ζ may not be conserved, even if the classical background trajectory is determined only by the evolution of the inflaton. In this paper, we derive the condition that ζ is conserved in time in the presence of the radiative corrections from χ. Namely, we show that when the dilatation invariance, which is a part of the diffeomorphism invariance, is preserved at the quantum level, the loop corrections of the massive field χ do not disturb the constant evolution of ζ at super Hubble scales. In this discussion, we show the Ward-Takahashi identity for the dilatation invariance, which yields a consistency relation for the correlation functions of the massive field χ.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

The Effects of Ru and Rh Substitutions on the Magneto-electronic and Optical Properties of the TbNi{sub 5} Intermetallic Compound: An Ab Initio Investigation

In this study, we have performed the first-principles investigation of the structural, electronic, magnetic, and optical properties of TbNi{sub 5}, TbNi{sub 3}Ru{sub 2}, and TbNi{sub 3}Rh{sub 2} compounds. The full-potential linearized augmented plane waves with local orbitals method is used in the framework of density functional theory (DFT) employing the generalized gradient approximation (GGA) for the exchange correlation functional as implemented in WIEN2k package. The structural properties are reposed on the evaluation of the equilibrium lattice parameters of these compounds under hexagonal structure such as lattice constants (a and c), bulk modulus (B), and its first pressure derivative (B{sup ′}). The spin-polarized electronic structures, including band structure and density of states, are calculated employing the GGA plus band correlated Hubbard parameter (GGA + U) scheme. The results show that density of states and magnetic moment of the pure TbNi{sub 5} compound are changed by doping. These changes are observed in the appearance of additional peaks on the spectral density of states (DOS) and in the augmentation of the total magnetic moment of TbNi{sub 3}X{sub 2} (X = Ru and Rh) intermetallic compounds. Based on the electronic structure results, the frequency dependents of optical conductivity are estimated in all the spectra and interpreted in the interband optical absorption part.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

The highly ionized circumgalactic medium is kinematically uniform around galaxies

The circumgalactic medium (CGM) traced by O vi λλ1031,1037 doublet absorption has been found to concentrate along the projected major and minor axes of the host galaxies. This suggests that O vi traces accreting and outflowing gas, respectively, which are key components of the baryon cycle of galaxies. We investigate this further by examining the kinematics of 29 O vi absorbers associated with galaxies at 0.13<z{sub gal}<0.66 as a function of galaxy color, inclination, and azimuthal angle. Each galaxy was imaged with the Hubble Space Telescope (HST), and the absorption was detected in COS/HST spectra of nearby (D<200 kpc) background quasars. We use the pixel-velocity two-point correlation function to characterize the velocity spread of the absorbers, which is a method used previously for a sample of Mg ii absorber–galaxy pairs. The absorption velocity spread for O vi is more extended than Mg ii, which suggests that the two ions trace differing components of the CGM. Again, in contrast to Mg ii, the O vi absorption velocity spreads are similar regardless of galaxy color, inclination, and azimuthal angle. This indicates that the kinematics of the high-ionization gas is not strongly influenced by the current star formation activity in the galaxy. The kinematic homogeneity of O vi absorption and its tendency to be observed mainly along the projected galaxy major and minor axes is likely due to varying ionization conditions and gas densities about the galaxy. Gas in intermediate azimuthal angles may be ionized out of the O vi phase, possibly resulting in an azimuthal angle dependence of the distribution of gas in higher ionization states.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The role of fluid-wall interactions on confined liquid diffusion using Mori theory

The dynamics of fluid confined in a nano-channel with smooth walls have been studied through velocity autocorrelation function within the memory function approach by incorporating the atomic level interactions of fluid with the confining wall. Expressions for the second and fourth sum rules of velocity autocorrelation have been derived for nano-channel which involves fluid-fluid and fluid-wall interactions. These expressions, in addition, involve pair correlation function and density profiles. The numerical contributions of fluid-wall interaction to sum rules are found to play a very significant role, specifically at smaller channel width. Results obtained for velocity autocorrelation and self-diffusion coefficient of a fluid confined to different widths of the nanochannel have been compared with the computer simulation results. The comparison shows a good agreement except when the width of the channel is of the order of two atomic diameters, where it becomes difficult to estimate sum rules involving the triplet correlation’s contribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

CHARACTERIZING MAGNETIZED TURBULENCE IN M51

We use previously published high-resolution synchrotron polarization data to perform an angular dispersion analysis with the aim of characterizing magnetized turbulence in M51. We first analyze three distinct regions (the center of the galaxy, and the northwest and southwest spiral arms) and can clearly discern the turbulent correlation length scale from the width of the magnetized turbulent correlation function for two regions and detect the imprint of anisotropy in the turbulence for all three. Furthermore, analyzing the galaxy as a whole allows us to determine a two-dimensional Gaussian model for the magnetized turbulence in M51. We measure the turbulent correlation scales parallel and perpendicular to the local mean magnetic field to be, respectively, {delta}{sub ||} = 98 {+-} 5 pc and {delta} = 54 {+-} 3 pc, while the turbulent-to-ordered magnetic field strength ratio is found to be B{sub t}/B{sub 0} = 1.01 {+-} 0.04. These results are consistent with those of Fletcher et al., who performed a Faraday rotation dispersion analysis of the same data, and our detection of anisotropy is consistent with current magnetized turbulence theories.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Morse oscillator propagator in the high temperature limit I: Theory

In an earlier work of the author the time evolution of Morse oscillator was studied analytically and exactly at low temperatures whereupon optical correlation functions were calculated using Morse oscillator coherent states were employed. Morse oscillator propagator in the high temperature limit is derived and a closed form of its corresponding canonical partition function is obtained. Both diagonal and off-diagonal forms of Morse oscillator propagator are derived in the high temperature limit. Partition functions of diatomic molecules are calculated. - Highlights: • Derives the quantum propagator of Morse oscillator in the high temperature limit. • Uses the resulting diagonal propagator to derive a closed form of Morse oscillator partition function. • Provides a more sophisticated formula of the quantum propagator to test the accuracy of the herein results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Consistency relations for the conformal mechanism

We systematically derive the consistency relations associated to the non-linearly realized symmetries of theories with spontaneously broken conformal symmetry but with a linearly-realized de Sitter subalgebra. These identities relate (N+1)-point correlation functions with a soft external Goldstone to N-point functions. These relations have direct implications for the recently proposed conformal mechanism for generating density perturbations in the early universe. We study the observational consequences, in particular a novel one-loop contribution to the four-point function, relevant for the stochastic scale-dependent bias and CMB μ-distortion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Non-trivial checks of novel consistency relations

Single-field perturbations satisfy an infinite number of consistency relations constraining the squeezed limit of correlation functions at each order in the soft momentum. These can be understood as Ward identities for an infinite set of residual global symmetries, or equivalently as Slavnov-Taylor identities for spatial diffeomorphisms. In this paper, we perform a number of novel, non-trivial checks of the identities in the context of single field inflationary models with arbitrary sound speed. We focus for concreteness on identities involving 3-point functions with a soft external mode, and consider all possible scalar and tensor combinations for the hard-momentum modes. In all these cases, we check the consistency relations up to and including cubic order in the soft momentum. For this purpose, we compute for the first time the 3-point functions involving 2 scalars and 1 tensor, as well as 2 tensors and 1 scalar, for arbitrary sound speed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue

There are several approximations to the exchange-correlation functional in density-functional theory, which accurately predict total energy-related properties of many-electron systems, such as binding energies, bond lengths, and crystal structures. Other approximations are designed to describe potential-related processes, such as charge transfer and photoemission. However, the development of a functional which can serve the two purposes simultaneously is a long-standing challenge. Trying to address it, we employ in the current work the ensemble generalization procedure proposed by Kraisler and Kronik [Phys. Rev. Lett. 110, 126403 (2013)]. Focusing on the prediction of the ionization potential via the highest occupied Kohn-Sham eigenvalue, we examine a variety of exchange-correlation approximations: the local spin-density approximation, semi-local generalized gradient approximations, and global and local hybrid functionals. Results for a test set of 26 diatomic molecules and single atoms are presented. We find that the aforementioned ensemble generalization systematically improves the prediction of the ionization potential, for various systems and exchange-correlation functionals, without compromising the accuracy of total energy-related properties. We specifically examine hybrid functionals. These depend on a parameter controlling the ratio of semi-local to non-local functional components. The ionization potential obtained with ensemble-generalized functionals is found to depend only weakly on the parameter value, contrary to common experience with non-generalized hybrids, thus eliminating one aspect of the so-called “parameter dilemma” of hybrid functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Low-energy effective quantum field theoretic description of excitations about soliton configurations

Solitons are the classical field configurations connecting two trivial vacua. These are also the solutions of classical field equations of motion with particle-like properties. Moreover, they are localized in space, having finite energy, and are stable against decay into radiation. The coherent state description of kink-solitons is discussed in the present article. Further, the relation between topological solitons and occupation numbers corresponding to low momentum excitations are also discussed coherently. The description of the low energy excitations about solitons in quantum field theory is the main theme of this article. Further, a few physical observables, namely some low order correlation functions, are computed up to certain integral forms. Furthermore, we have shown that it is possible to detect the presence of soliton-like classical configurations in many-particle systems from the nature of the one-point function and non-conservation of momentum feature of one-point, two-point and three-point functions in this low-energy effective field theory of these excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Inflaton fluctuations in the presence of cosmological defects

We study quantum fluctuations of a free massless scalar field during inflation in the presence of a point, line, or plane defect such as a black hole, cosmic string, or domain wall, using a perturbative expansion in powers of small defect parameters. We provide results for the scalar two-point correlation functions that show explicitly a small violation of translational invariance during inflation.

79 ASTRONOMY AND ASTROPHYSICS↗