Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “correlation”

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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Field transients of coherent terahertz synchrotron radiation accessed via time-resolving and correlation techniques

Decaying oscillations of the electric field in repetitive pulses of coherent synchrotron radiation in the terahertz frequency range was evaluated by means of time-resolving and correlation techniques. Comparative analysis of real-time voltage transients of the electrical response and interferograms, which were obtained with an ultrafast zero-bias Schottky diode detector and a Martin-Puplett interferometer, delivers close values of the pulse duration. Consistent results were obtained via the correlation technique with a pair of Golay Cell detectors and a pair of resonant polarisation-sensitive superconducting detectors integrated on one chip. The duration of terahertz synchrotron pulses does not closely correlate with the duration of single-cycle electric field expected for the varying size of electron bunches. We largely attribute the difference to the charge density oscillations in electron bunches and to the low-frequency spectral cut-off imposed by both the synchrotron beamline and the coupling optics of our detectors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Long range stress correlations in the inherent structures of liquids at rest

Simulation studies of the atomic shear stress in the local potential energy minima (inherent structures) are reported for binary liquid mixtures in 2D and 3D. These inherent structure stresses are fundamental to slow stress relaxation and high viscosity in supercooled liquids. We find that the atomic shear stress in the inherent structures (IS’s) of both liquids at rest exhibits slowly decaying anisotropic correlations. We show that the stress correlations contribute significantly to the variance of the total shear stress of the IS configurations and consider the origins of the anisotropy and spatial extent of the stress correlations.

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

Effective Hamiltonians for correlated narrow energy band systems and magnetic insulators: Role of spin-orbit interactions in metal-insulator transitions and magnetic phase transitions

Using a second-quantized many-electron Hamiltonian, we obtain (a) an effective Hamiltonian suitable for materials whose electronic properties are governed by a set of strongly correlated bands in a narrow energy range and (b) an effective spin-only Hamiltonian for magnetic materials. The present Hamiltonians faithfully include phonon and spin-related interactions as well as the external fields to study the electromagnetic response properties of complex materials and they, in appropriate limits, reduce to the model Hamiltonians due to Hubbard and Heisenberg. With the Hamiltonian for narrow-band strongly correlated materials, we show that the spin-orbit interaction provides a mechanism for metal-insulator transition, which is distinct from the Mott-Hubbard (driven by the electron correlation) and the Anderson mechanism (driven by the disorder). Next, with the spin-only Hamiltonian, we demonstrate the spin-orbit interaction to be a reason for the existence of antiferromagnetic phase in materials which are characterized by a positive isotropic spin-exchange energy. This is distinct from the Néel-VanVleck-Anderson paradigm which posits a negative spin-exchange for the existence of antiferromagnetism. We also find that the Néel temperature increases as the absolute value of the spin-orbit coupling increases.

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

Left-right correlation in coupled F-center defects

This work explores how left-right correlation, a textbook problem in electronic structure theory, manifests in a textbook example of electrons trapped in crystal defects. I show that adjacent F-center defects in lithium fluoride display symptoms of “strong” left-right correlation, symptoms similar to those seen in stretched H{sub 2}. Simulations of UV/visible absorption spectra qualitatively fail to reproduce experiment unless left-right correlation is taken into account. This is of interest to both the electronic structure theory and crystal-defect communities. Theorists have a new well-behaved system to test their methods. Crystal-defect groups are cautioned that the approximations that successfully model single F-centers may fail for adjacent F-centers.

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

Correlation between strain rate sensitivity and α relaxation of metallic glasses

An inherent correlation between the strain rate sensitivity and α relaxation of metallic glasses (MGs) is observed. This correlation can be attributed to the secondary term which incorporates the nonaffine displacements of atoms in the analytical expression of the elastic modulus of amorphous solids. The observed correlation supports the proposition that stress and temperature play equivalent role in the glass transition of MGs. Besides, an ideal liquid state of MGs is observed in the supercooled liquid region when they are deformed below a critical loading rate. This observation would benefit the application of MGs in the fabrication of micro parts for MEMS (Micro Electro-Mechanical Systems).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximations

Knowledge of the chemical bonding of HfO and HfB ground and low-lying electronic states provides essential insights into a range of catalysts and materials that contain Hf–O or Hf–B moieties. Here, we carry out high-level multi-reference configuration interaction theory and coupled cluster quantum chemical calculations on these systems. We compute full potential energy curves, excitation energies, ionization energies, electronic configurations, and spectroscopic parameters with large quadruple-ζ and quintuple-ζ quality correlation consistent basis sets. We also investigate equilibrium chemical bonding patterns and effects of correlating core electrons on property predictions. Differences in the ground state electron configuration of HfB(X 4 Σ - ) and HfO(X 1 Σ + ) lead to a significantly stronger bond in HfO than HfB, as judged by both dissociation energies and equilibrium bond distances. We extend our analysis to the chemical bonding patterns of the isovalent HfX (X = O, S, Se, Te, and Po) series and observe similar trends. We also note a linear trend between the decreasing value of the dissociation energy (D e ) from HfO to HfPo and the singlet–triplet energy gap (ΔE S–T ) of the molecule. Finally, we compare these benchmark results to those obtained using density functional theory (DFT) with 23 exchange–correlation functionals spanning multiple rungs of “Jacob’s ladder.” When comparing DFT errors to coupled cluster reference values on dissociation energies, excitation energies, and ionization energies of HfB and HfO, we observe semi-local generalized gradient approximations to significantly outperform more complex and high-cost functionals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Correlative piezoresponse and micro-Raman imaging of CuInP 2 S 6 –In 4/3 P 2 S 6 flakes unravels phase-specific phononic fingerprint via unsupervised learning

Characterizing the novel properties of layered van der Waals materials is key for their application in functional devices. A better understanding of this type of material requires correlative imaging of diverse nanoscale material properties. Within this class of materials, CuInP 2 S 6 (CIPS) has received a significant degree of interest due to its ionically mediated room temperature ferroelectricity. Moreover, it is possible to form stable self-assembled heterostructures of ferroelectric CuInP 2 S 6 (CIPS) and non-ferroelectric (i.e., lacking Cu) In 4/3 P 2 S 6 (IPS) phases, by controlling the targeted composition and kinetics of synthesis. In this work, we present a correlative nanometric imaging study of the phononic modes and piezoelectricity of the phase-separated thin heteroepitaxial CIPS/IPS flakes. Here, we show that it is possible to isolate the different phononic modes of the two phases by spatially correlating them with their distinct ferroelectric behavior. The coupling of our experimental data with unsupervised learning statistical methods enables unraveling specific Raman peaks that are characteristic of each chemical phase (CIPS and IPS) present in the composite sample, discarding the less significant ones.

correlative microscopy↗
DOE OSTI2021

Moiréless correlations in ABCA graphene

Atomically thin van der Waals materials stacked with an interlayer twist have proven to be an excellent platform toward achieving gate-tunable correlated phenomena linked to the formation of flat electronic bands. In this work we demonstrate the formation of emergent correlated phases in multilayer rhombohedral graphene––a simple material that also exhibits a flat electronic band edge but without the need of having a moiré superlattice induced by twisted van der Waals layers. We show that two layers of bilayer graphene that are twisted by an arbitrary tiny angle host large (micrometer-scale) regions of uniform rhombohedral four-layer (ABCA) graphene that can be independently studied. Scanning tunneling spectroscopy reveals that ABCA graphene hosts an unprecedentedly sharp van Hove singularity of 3–5-meV half-width. We demonstrate that when this van Hove singularity straddles the Fermi level, a correlated many-body gap emerges with peak-to-peak value of 9.5 meV at charge neutrality. Mean-field theoretical calculations for model with short-ranged interactions indicate that two primary candidates for the appearance of this broken symmetry state are a charge-transfer excitonic insulator and a ferrimagnet. Finally, we show that ABCA graphene hosts surface topological helical edge states at natural interfaces with ABAB graphene which can be turned on and off with gate voltage, implying that small-angle twisted double-bilayer graphene is an ideal programmable topological quantum material.

42 ENGINEERING↗
DOE OSTI2022

Efficient computation of N -point correlation functions in D dimensions

We present efficient algorithms for computing the N-point correlation functions (NPCFs) of random fields in arbitrary D-dimensional homogeneous and isotropic spaces. Such statistics appear throughout the physical sciences and provide a natural tool to describe stochastic processes. Typically, algorithms for computing the NPCF components have $\mathscr O$(n N ) complexity (for a dataset containing n particles); their application is thus computationally infeasible unless N is small. By projecting the statistic onto a suitably defined angular basis, we show that the estimators can be written in a separable form, with complexity $\mathscr O$(n 2 ) or $\mathscr O$(n g log n g ) if evaluated using a Fast Fourier Transform on a grid of size n g . Our decomposition is built upon the D-dimensional hyperspherical harmonics; these form a complete basis on the (D – 1) sphere and are intrinsically related to angular momentum operators. Concatenation of (N – 1) such harmonics gives states of definite combined angular momentum, forming a natural separable basis for the NPCF. As N and D grow, the number of basis components quickly becomes large, providing a practical limitation to this (and all other) approaches: However, the dimensionality is greatly reduced in the presence of symmetries; for example, isotropic correlation functions require only states of zero combined angular momentum. We provide a Julia package implementing our estimators and show how they can be applied to a variety of scenarios within cosmology and fluid dynamics. The efficiency of such estimators will allow higher-order correlators to become a standard tool in the analysis of random fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Sum-rule corrections: A route to error cancellations in correlation matrix renormalisation theory

Here, we recently proposed the correlation matrix renormalisation (CMR) theory to efficiently and accurately calculate ground state total energy of molecular systems, based on the Gutzwiller variational wavefunction (GWF) to treat the electronic correlation effects. To help reduce numerical complications and better adapt the CMR to infinite lattice systems, we need to further refine the way to minimise the error originated from the approximations in the theory. This conference proceeding reports our recent progress on this key issue, namely, we obtained a simple analytical functional form for the one-electron renormalisation factors, and introduced a novel sum-rule correction for a more accurate description of the intersite electron correlations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Numerical characterization of support recovery in sparse regression with correlated design

Sparse regression is employed in diverse scientific settings as a feature selection method. A pervasive aspect of scientific data is the presence of correlations between predictive features. These correlations hamper both feature selection and estimation and jeopardize conclusions drawn from estimated models. On the other hand, theoretical results on sparsity-inducing regularized regression have largely addressed conditions for selection consistency via asymptotics, and disregard the problem of model selection, whereby regularization parameters are chosen. In this numerical study, we address these issues through exhaustive characterization of the performance of several regression estimators, coupled with a range of model selection strategies. These estimators and selection criteria were examined across correlated regression problems with varying degrees of signal to noise, distributions of non-zero model coefficients, and model sparsity. Our results reveal a fundamental tradeoff between false positive and false negative control in all regression estimators and model selection criteria examined. Additionally, we numerically explore a transition point modulated by the signal-to-noise ratio and spectral properties of the design covariance matrix at which the selection accuracy of all considered algorithms degrades. Overall, we find that SCAD coupled with BIC or empirical Bayes model selection performs the best feature selection across the regression problems considered.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Revealing a universal planet-metallicity correlation for planets of different solar-type stars

The metallicity of exoplanet systems serves as a critical diagnostic of planet formation mechanisms. Previous studies have demonstrated the planet–metallicity correlation for large planets (R{sub P} ⩾ 4 R{sub E}); however, a correlation has not been found for smaller planets. With a sample of 406 Kepler objects of interest whose stellar properties are determined spectroscopically, we reveal a universal planet–metallicity correlation: not only gas-giant planets (3.9 R{sub E} <R{sub P} ⩽ 22.0 R{sub E}) but also gas-dwarf (1.7 R{sub E} <R{sub P} ⩽ 3.9 R{sub E}) and terrestrial planets (R{sub P} ⩽ 1.7 R{sub E}) occur more frequently in metal-rich stars. The planet occurrence rates of gas-giant planets, gas-dwarf planets, and terrestrial planets are 9.30{sub −3.04}{sup +5.62}, 2.03{sub −0.26}{sup +0.29}, and 1.72{sub −0.17}{sup +0.19} times higher for metal-rich stars than for metal-poor stars, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Determining inclinations of active galactic nuclei via their narrow-line region kinematics. II. Correlation with observed properties

Active galactic nuclei (AGNs) are axisymmetric systems to first order; their observed properties are likely strong functions of inclination with respect to our line of sight, yet the specific inclinations of all but a few AGNs are generally unknown. By determining the inclinations and geometries of nearby Seyfert galaxies using the kinematics of their narrow-line regions (NLRs) and comparing them with observed properties, we find strong correlations between inclination and total hydrogen column density, infrared color, and Hβ FWHM. These correlations provide evidence that the orientation of AGNs with respect to our line of sight affects how we perceive them beyond the Seyfert 1/2 dichotomy. They can also be used to constrain three-dimensional models of AGN components such as the broad-line region and torus. Additionally, we find weak correlations between AGN luminosity and several modeled NLR parameters, which suggests that the NLR geometry and kinematics are dependent to some degree on the AGN's radiation field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Interaction-powered supernovae: rise-time versus peak-luminosity correlation and the shock-breakout velocity

Interaction of supernova (SN) ejecta with the optically thick circumstellar medium (CSM) of a progenitor star can result in a bright, long-lived shock-breakout event. Candidates for such SNe include Type IIn and superluminous SNe. If some of these SNe are powered by interaction, then there should be a specific relation between their peak luminosity, bolometric light-curve rise time, and shock-breakout velocity. Given that the shock velocity during shock breakout is not measured, we expect a correlation, with a significant spread, between the rise time and the peak luminosity of these SNe. Here, we present a sample of 15 SNe IIn for which we have good constraints on their rise time and peak luminosity from observations obtained using the Palomar Transient Factory. We report on a possible correlation between the R-band rise time and peak luminosity of these SNe, with a false-alarm probability of 3%. Assuming that these SNe are powered by interaction, combining these observables and theory allows us to deduce lower limits on the shock-breakout velocity. The lower limits on the shock velocity we find are consistent with what is expected for SNe (i.e., ∼10{sup 4} km s{sup –1}). This supports the suggestion that the early-time light curves of SNe IIn are caused by shock breakout in a dense CSM. We note that such a correlation can arise from other physical mechanisms. Performing such a test on other classes of SNe (e.g., superluminous SNe) can be used to rule out the interaction model for a class of events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

CORRELATIONS IN HORIZONTAL BRANCH OSCILLATIONS AND BREAK COMPONENTS IN XTE J1701-462 AND GX 17+2

We studied the horizontal branch oscillations (HBO) and the band-limited components observed in the power spectra of the transient neutron star low-mass X-ray binary XTE J1701-462 and the persistent ''Sco-like'' Z source GX 17+2. These two components were studied based on the state-resolved spectra. We found that the frequencies of XTE J1701-462 lie on the known correlations (WK and PBK), showing consistency with other types of X-ray binaries (black holes, atoll sources, and millisecond X-ray pulsars). However, GX 17+2 is shifted from the WK correlation like other typical Z sources. We suggest that the WK/PBK main track forms a boundary that separates persistent sources from transient sources. The characteristic frequencies of break and HBO are independent of accretion rate in both sources, though it depends on spectral models. We also report the energy dependence of the HBO and break frequencies in XTE J1701-462 and how the temporal properties change with spectral state in XTE J1701-462 and GX 17+2. We studied the correlation between rms at the break and the HBO frequency. We suggest that HBO and break components for both sources probably arise from a similar physical mechanism: Comptonization emission from the corona. These two components could be caused by the same kind of oscillation in a corona with uneven density, and they could be generated from different areas of the corona. We further suggest that different proportions of the Comptonization component in the total flux cause the different distribution between GX 17+2 and XTE J1701-462 in the rms{sub break}-rms{sub HBO} diagram.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Statistical model of exotic rotational correlations in emergent space-time

A statistical model is formulated to compute exotic rotational correlations that arise as inertial frames and causal structure emerge on large scales from entangled Planck scale quantum systems. Noncommutative quantum dynamics are represented by random transverse displacements that respect causal symmetry. Entanglement is represented by covariance of these displacements in Planck scale intervals defined by future null cones of events on an observer's world line. Light that propagates in a nonradial direction inherits a projected component of the exotic rotational correlation that accumulates as a random walk in phase. A calculation of the projection and accumulation leads to exact predictions for statistical properties of exotic Planck scale correlations in an interferometer of any configuration. The cross-covariance for two nearly co-located interferometers is shown to depart only slightly from the autocovariance. Specific examples are computed for configurations that approximate realistic experiments, and show that the model can be rigorously tested.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

ISW-galaxy cross correlation: a probe of dark energy clustering and distribution of dark matter tracers

Cross correlation of the Integrated Sachs-Wolfe signal (ISW) with the galaxy distribution in late time is a promising tool for constraining the dark energy properties. Here, we study the effect of dark energy clustering on the ISW-galaxy cross correlation and demonstrate the fact that the bias parameter between the distribution of the galaxies and the underlying dark matter introduces a degeneracy and complications. We argue that as the galaxy's host halo formation time is different from the observation time, we have to consider the evolution of the halo bias parameter. It will be shown that any deviation from ΛCDM model will change the evolution of the bias as well. Therefore, it is deduced that the halo bias depends strongly on the sub-sample of galaxies which is chosen for cross correlation and that the joint kernel of ISW effect and the galaxy distribution has a dominant effect on the observed signal. In this work, comparison is made specifically between the clustered dark energy models using two samples of galaxies. The first one is a sub-sample of galaxies from Sloan Digital Sky Survey, chosen with the r-band magnitude 18 < r < 21 and the dark matter halo host of mass M ∼10{sup 12} M {sub ⊙} and formation redshift of z {sub f} ∼ 2.5. The second one is the sub-sample of Luminous Red galaxies with the dark matter halo hosts of mass M ∼ 10{sup 13} M {sub ⊙} and formation redshift of z {sub f} ∼ 2.0. Using the evolved bias we improve the χ{sup 2} for the ΛCDM which reconciles the ∼1σ-2σ tension of the ISW-galaxy signal with ΛCDM prediction. Finally, we study the parameter estimation of a dark energy model with free parameters w {sub 0} and w {sub a} in the equation of state w {sub de} = w {sub 0} + w {sub az} /(1+ z ) with the constant bias parameter and also with an evolved bias model with free parameters of galaxy's host halo mass and the halo formation redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A lower bound on the number of cosmic ray events required to measure source catalogue correlations

Recent analyses of cosmic ray arrival directions have resulted in evidence for a positive correlation with active galactic nuclei positions that has weak significance against an isotropic source distribution. In this paper, we explore the sample size needed to measure a highly statistically significant correlation to a parent source catalogue. We compare several scenarios for the directional scattering of ultra-high energy cosmic rays given our current knowledge of the galactic and intergalactic magnetic fields. We find significant correlations are possible for a sample of >1000 cosmic ray protons with energies above 60 EeV.

79 ASTRONOMY AND ASTROPHYSICS↗