Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “correlation functions”

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Many-Body Signatures of Collective Decay in Atomic Chains

Fully inverted atoms placed at exactly the same location synchronize as they deexcite, and light is emitted in a burst (known as “Dicke’s superradiance”). We investigate the role of finite interatomic separation on correlated decay in mesoscopic chains and provide an understanding in terms of collective jump operators. We show that the superradiant burst survives at small distances, despite Hamiltonian dipole-dipole interactions. However, for larger separations, competition between different jump operators leads to dephasing, suppressing superradiance. Collective effects are still significant for arrays with lattice constants of the order of a wavelength, and lead to a photon emission rate that decays nonexponentially in time. We calculate the two-photon correlation function and demonstrate that emission is correlated and directional, as well as sensitive to small changes in the interatomic distance. Furthermore, these features can be measured in current experimental setups, and are robust to realistic imperfections.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1978

Monte Carlo simulation of the classical two-dimensional one component plasma

Monte Carlo simulation, lattice dynamics in the harmonic approximation, and solution of the hypernetted chain equation were used to study the classical two-dimensional one component plasma. The system consists of a single species of charged particles immersed in a uniform neutralizing background. The particles interact via a l/r potential, where r is the two dimensional separation. Equations of state were calculated for both the liquid and solid phases. Results of calculation of the thermodynamic functions and one and two particle correlation functions are presented.

Gann, R. C.↗
NASA NTRS1992

Optical and radio variability in blazars

An analysis is presented of the optical (0.44 micron) and radio flux density variations (4.8, 8.0, and 14.5 GHz) of the five best observed variable AGN, of which three are BL Lac objects and two are optically violent variable (OVV) quasars. For each object the nature of the variability at individual wavelengths is determined by using a structure function analysis and the autocorrelation function as calculated from the discrete correlation technique. Both techniques yield similar results, showing that the optical variations are similar for all objects and are a combination of flicker and shot noise. The radio variability is distinct, being described by shot noise (less variation at short times), with the two OVVs exhibiting the most extreme behavior. The time lag between the variations at the three radio frequencies and the optical flux is studied with the discrete cross-correlation function and the mean variance methods. It is concluded that the optical and radio emitting regions are physically related, exist on distinct time scales, and excite their synchrotron emitting plasmas differently.

Hufnagel, Beth R.↗
NASA NTRS1964

Useful operator in plasma kinetic theory.

Operator used in derivation of plasma kinetic equation, expressing integral of pair correlation function for stable and unstable cases via Fourier transform

PLASMA DYNAMICS↗
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 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 OSTI2026

Insights into Nonelectroactive C–C Bond Formation on Cu(100) during Electrochemical CO 2 Reduction from Multiconfigurational Wavefunction Theory

Carbon–carbon (C–C) bond formation is necessary for hydrocarbon (and oxygenate) synthesis beyond methane (and formate/formic acid) during electrochemical CO and CO 2 reduction (ECOR and ECO 2 R). Cu has notable ability to form hydrocarbons compared to other pure metals. In particular, the (100) facet of face-centered cubic Cu forms ethylene competitively with H 2 and methane during both ECOR and ECO 2 R. Past simulations based on density functional theory (DFT) with standard exchange-correlation functional approximations predict fast nonelectroactive C–C bond formation channels involving adsorbed (*) CO together with another *CO, formyl (*CHO), or hydroxymethylidyne (*COH), forming OC*–*CO, OC*–CHO*, and OC*–*COH, respectively. Such simulations support the prevailing hypothesis that emergence of C 2 products is kinetically determined at the early stages of the reduction chemistry. Here we show, via simulations with more accurate many-body, i.e., “correlated”, wavefunction theory (enabled by an embedding scheme), that the coupling of *CO with a *CO or a *COH (previously predicted at the same level of theory to kinetically dominate over *CHO as the one-electron reduction product of *CO) is highly activated (kinetically impeded), with free energy barriers >1 eV, in contradiction to previous DFT-based simulations. Intriguingly, we find that the coupling of two adjacent *COHs incurs only a small barrier (<0.3 eV) and is exoergic (< –1 eV); however, given the predicted low surface mobility of *COH, the emergence of HOC*–*COH is also improbable, at least at low *COH coverages. We therefore conclude that it is highly unlikely for *CO to participate in nonelectroactive C–C bond formation on pristine Cu(100), contrary to conventional wisdom, and that the energetically favorable *COH dimerization may occur only after substantial buildup of *COH on the surface.

adsorption↗
DOE OSTI2021

From Anderson localization on random regular graphs to many-body localization

Highlights: • Anderson transition from ergodicity to localization on random regular graphs (RRG). • Analytical, pool method, and exact-diagonalization study of correlations on RRG. • Many-body localization (MBL) to ergodicity transition: quantum dots and spin chains. • Dynamical eigenstate correlation functions in RRG and MBL problems. • Anderson localization on RRG as a toy model for MBL. The article reviews the physics of Anderson localization on random regular graphs (RRG) and its connections to many-body localization (MBL) in disordered interacting systems. Properties of eigenstate and energy level correlations in delocalized and localized phases, as well at criticality, are discussed. In the many-body part, models with short-range and power-law interactions are considered, as well as the quantum-dot model representing the limit of the “most long-range” interaction. Central themes – which are common to the RRG and MBL problems – include ergodicity of the delocalized phase, localized character of the critical point, strong finite-size effects, and fractal scaling of eigenstate correlations in the localized phase.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Radar scene generation for tactical decision aids

The Mueller matrix and polarization covariance matrix for polarimetric radar systems was studied. The clutter is modeled by a layer of random permittivity, described by a three-dimensional correlation function, with variance, and horizontal and vertical correlation lengths. A general mixing formula was derived for discrete scatters immersed in a host medium. The results are applicable to general multiphase mixtures. The strong fluctuation theory was used to derive the backscattering cross sections, and was further extended to include higher order co-polarized and cross-polarized moments. A two-layer anisotropic random medium model was developed for the active and passive remote sensing of ice fields. A three-layer random medium model was adopted to study the volume scattering effects for the active and passive microwave remote sensing of snow-covered ice fields. The snow layer was simulated by an isotropic random medium and the ice layer by an anisotropic random medium. The vegetation canopy and snow-covered ice field were studied with a three-layer model, an isotropic random medium layer overlying an anisotropic random medium. The dyadic Green's function of the three-layer medium and the scattered electromagnetic intensities with Born approximation were calculated.

Kong, J. A.↗
NASA NTRS2010

Blunt-Body Entry Vehicle Aerothermodynamics: Transition and Turbulence on the CEV and MSL Configurations

Recent, current, and planned NASA missions that employ blunt-body entry vehicles pose aerothermodynamic problems that challenge the state-of-the art of experimental and computational methods. The issues of boundary-layer transition and turbulent heating on the heat shield have become important in the designs of both the Mars Science Laboratory and Crew Exploration Vehicle. While considerable experience in these general areas exists, that experience is mainly derived from simple geometries; e.g. sharp-cones and flat-plates, or from lifting bodies such as the Space Shuttle Orbiter. For blunt-body vehicles, application of existing data, correlations, and comparisons is questionable because an all, or mostly, subsonic flow field is produced behind the bow shock, as compared to the supersonic (or even hypersonic) flow of other configurations. Because of the need for design and validation data for projects such as MSL and CEV, many new experimental studies have been conducted in the last decade to obtain detailed boundary-layer transition and turbulent heating data on this class of vehicle. In this paper, details of several of the test programs are reviewed. The laminar and turbulent data from these various test are shown to correlate in terms of edge-based Stanton and Reynolds number functions. Correlations are developed from the data for transition onset and turbulent heating augmentation as functions of momentum thickness Reynolds number. These correlation can be employed as engineering-level design and analysis tools.

Hollis, Brian R.↗
DOE OSTI2023

The five-point bootstrap

We study five-point correlation functions of scalar operators in d-dimensional conformal field theories. We develop a new approach to computing the five-point conformal blocks for exchanged primary operators of arbitrary spin by introducing a generalization of radial coordinates, using an appropriate ansatz, and perturbatively solving two quadratic Casimir differential equations. We then study five-point correlators 〈σσϵσσ〉 in the critical 3d Ising model. We truncate the operator product expansions (OPEs) in the correlator by including a finite number of primary operators with conformal dimension below a cutoff ∆ ⩽ ∆ cutoff . We then compute several OPE coefficients involving ϵ and two spinning operators by demanding that the truncated correlator approximately satisfies the crossing relation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

An Atom-Precise Approach to Damp First-Order Phase Transitions and Its Implications for Neuromorphic Signal Processing

Neuromorphic computing inspired by mammalian intelligence aims to emulate the nonlinear dynamics of biological neurons and synapses to achieve fast, low-energy, and highly efficient information processing. Brain-inspired computing relies on the design and discovery of materials exhibiting nonlinear current–voltage profiles, frequently underpinned by electronic state transitions, to achieve spiking neurons and dynamically tunable synapses. A signature challenge in the design of artificial neurons is controlling the steepness of first-order transitions in active elements, as abrupt transitions are at risk of driving unstable voltage and temperature oscillations, which result in catastrophic device failure. A critical knowledge gap is the lack of structure–function correlations mapping the composition and atomistic structure of crystalline solids to nonlinear dynamical response characteristics. Here, we address the key question of how modification of atomistic structure correlates with alteration of neuron-like functionality. Constructing oscillator circuits from millimeter-scale single crystals enables high-resolution atomic structure solutions, which we use to demonstrate that the selective positioning of Pb cations modifies charge ordering along a one-dimensional CuxV2O5 framework even at low insertion stoichiometries, thereby providing an atom-precise design parameter for damping first-order transitions. We use temperature-variant X-ray diffraction and X-ray spectroscopy to elucidate the suppression of Cu-ion shuttling based on the precise positioning of Pb ions in seven-coordinated tunnel interstitial sites as the mechanistic basis for transition broadening, thus bridging a critical gap between statistical mechanics and quantum chemical descriptions of phase transitions. Such mechanistic understanding thus paves the way to site-selective modification strategies for modulating the sharpness of first-order transitions, with an exemplary demonstration here in tuning neuronal signal processing.

Crystal structure↗
DOE OSTI2022

Liquid-Liquid Transition in Water from First Principles

A long-standing question in water research is the possibility that supercooled liquid water can undergo a liquid-liquid phase transition (LLT) into high- and low-density liquids. Here, we used several complementary molecular simulation techniques to evaluate the possibility of an LLT in an ab initio neural network model of water trained on density functional theory calculations with the SCAN exchange correlation functional. We conclusively show the existence of a first-order LLT and an associated critical point in the SCAN description of water, representing the first definitive computational evidence for an LLT in water from first principles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

Monte Carlo simulation of the classical two-dimensional one-component plasma

A Monte Carlo simulation, lattice dynamics in the harmonic approximation, and solution of the hypernetted chain equation are used to study the classical two-dimensional one-component plasma. A fluid phase is found for a specified dimensionless quantity, and a solid phase for higher values of this quantity. It is reported that the solid phase shows directional long range order, noting that in the solid phase positional long range order is lost as the thermodynamic limit is approached. Finally, the results of calculations of the thermodynamic functions and one- and two-particle correlation functions are presented.

Gann, R. C.↗
NASA NTRS1986

Remote sensing of Earth Terrain

The Mueller matrix and polarization covariance matrix for polarimetric radar systems were studied. The clutter is modelled by a layer of random permittivity, described by a three dimensional correlation function, with variance, and horizontal and vertical correlation lengths. This model is applied, using the wave theory with Born approximations carried to the second order, to find the backscattering elements of the polarimetric matrices. It is found that 8 out of 16 elements of the Mueller matrix are identically zero, corresponding to a covariance matrix with four zero elements. Theoretical predictions are matched with experimental data for vegetation fields. A general mixing formula is derived for discrete scatterers immersed in a host medium. The inclusion particles are assumed to be ellipsoidal. The electric field inside the scatterers is determined by quasistatic analysis, assuming the diameter of the inclusion particles to be much smaller than the wavelength. The results are applicable to general multiphase mixtures.

Kong, J. A.↗