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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 OSTI2019

UV background fluctuations and three-point correlations in the large-scale clustering of the Lyman α forest

Using the Lyman α (Lyα) Mass Association Scheme, we make theoretical predictions for the three-dimensional three-point correlation function (3PCF) of the Lyα forest at redshift z = 2.3. We bootstrap results from the (100 h -1 Mpc) 3 Horizon hydrodynamic simulation to a (1 h -1 Gpc) 3 N -body simulation, considering both a uniform ultraviolet background (UVB) and a fluctuating UVB sourced by quasars with a comoving n q ≈ 10 -5 h 3 Mpc -3 placed either in massive haloes or randomly. On scales of 10–30 h -1 Mpc, the flux 3PCF displays hierarchical scaling with the square of the two-point correlation function (2PCF), but with an unusual value of Q ≡ ζ 123 /(ξ 12 ξ 13 + ξ 12 ξ 23 + ξ 13 ξ 23 ) ≈ -4.5 that reflects the low bias of the Lyα forest and the anticorrelation between mass density and transmitted flux. For halo-based quasars and an ionizing photon mean free path of λ = 300 h -1 Mpc comoving, UVB fluctuations moderately depress the 2PCF and 3PCF, with cancelling effects on Q . For λ = 100 or 50 h -1 Mpc, UVB fluctuations substantially boost the 2PCF and 3PCF on large scales, shifting the hierarchical ratio to Q ≈ -3. We scale our simulation results to derive rough estimate of the detectability of the 3PCF in current and future observational data sets for the redshift range z = 2.1–2.6. At r = 10 and 20 h -1 Mpc, we predict a signal-to-noise ratio (SNR) of ~9 and ~7, respectively, for both Baryon Oscillation Spectroscopic Survey (BOSS) and extended BOSS (eBOSS), and ~37 and ~25 for Dark Energy Spectroscopic Instrument (DESI). At r = 40 h -1 Mpc the predicted SNR is lower by a factor of ~3–5. Measuring the flux 3PCF would provide a novel test of the conventional paradigm of the Lyα forest and help separate the contributions of UVB fluctuations and density fluctuations to Lyα forest clustering, thereby solidifying its foundation as a tool of precision cosmology.

Astronomy & Astrophysics↗
DOE OSTI2021

Assessment of Clonal Expansion Using CarcSeq Measurement of Lung Cancer Driver Mutations and Correlation With Mouse Strain- and Sex-Related Incidence of Spontaneous Lung Neoplasia

Quantification of variation in levels of spontaneously occurring cancer driver mutations (CDMs) was developed to assess clonal expansion and predict future risk of neoplasm development. Specifically, an error-corrected next-generation sequencing method, CarcSeq, and a mouse CarcSeq panel (analogous to human and rat panels) were developed and used to quantify low-frequency mutations in a panel of amplicons enriched in hotspot CDMs. Mutations in a subset of panel amplicons, Braf, Egfr, Kras, Stk11, and Tp53, were related to incidence of lung neoplasms at 2 years. This was achieved by correlating median absolute deviation (MAD) from the overall median mutant fraction (MF) measured in the lung DNA of 16-week-old male and female, B6C3F1 and CD-1 mice (10 mice/sex/strain) with percentages of spontaneous alveolar/bronchioloalveolar adenomas and carcinomas reported in bioassay control groups. A total of 1586 mouse lung mutants with MFs > x 10-4 were recovered. The ratio of nonsynonymous to synonymous mutations was used to assess the proportion of recovered mutations conferring a positive selective advantage. The greatest ratio was observed in what is considered the most lung tumor-sensitive model examined, male B6C3F1 mice. Of the recurrent, nonsynonymous mouse mutations recovered, 55.5% have been reported in human tumors, with many located in or around the mouse equivalent of human cancer hotspot codons. MAD for the same subset of amplicons measured in normal human lung DNA samples showed a correlation of moderate strength and borderline significance with age (a cancer risk factor), as well as age-related cumulative lung cancer risk, suggesting MAD may inform species extrapolation.

Toxicology↗
NASA NTRS1979

The correlation function for density perturbations in an expanding universe. IV - The evolution of the correlation function

The evolution of the two-point correlation function for the large-scale distribution of galaxies in an expanding universe is studied on the assumption that the perturbation densities lie in a Gaussian distribution centered on any given mass scale. The perturbations are evolved according to the Friedmann equation, and the correlation function for the resulting distribution of perturbations at the present epoch is calculated. It is found that: (1) the computed correlation function gives a satisfactory fit to the observed function in cosmological models with a density parameter (Omega) of approximately unity, provided that a certain free parameter is suitably adjusted; (2) the power-law slope in the nonlinear regime reflects the initial fluctuation spectrum, provided that the density profile of individual perturbations declines more rapidly than the -2.4 power of distance; and (3) both positive and negative contributions to the correlation function are predicted for cosmological models with Omega less than unity.

Mcclelland, J.↗
NASA NTRS1981

Energy normalization of TV viewed optical correlation (automated correlation plane analyzer for an optical processor)

An automatic correlation plane processor that can rapidly acquire, identify, and locate the autocorrelation outputs of a bank of multiple optical matched filters is described. The read-only memory (ROM) stored digital silhouette of each image associated with each matched filter allows TV video to be used to collect image energy to provide accurate normalization of autocorrelations. The resulting normalized autocorrelations are independent of the illumination of the matched input. Deviation from unity of a normalized correlation can be used as a confidence measure of correct image identification. Analog preprocessing circuits permit digital conversion and random access memory (RAM) storage of those video signals with the correct amplitude, pulse width, rising slope, and falling slope. TV synchronized addressing of 3 RAMs permits on-line storage of: (1) the maximum unnormalized amplitude, (2) the image x location, and (3) the image y location of the output of each of up to 99 matched filters. A fourth RAM stores all normalized correlations. A normalization approach, normalization for cross correlations, a system's description with block diagrams, and system's applications are discussed.

Grumet, A.↗
NASA NTRS1994

Motion-sensitive optical correlator using a VanderLugt correlator

A new type of optical correlator is presented. The correlator performs motion detection or background clutter suppression and correlation simultaneously in a single photorefractive crystal. Additionally, the device is useful for moving target identification and tracking and for stationary clutter rejection. The correlation is of the VanderLugt type, and the motion detection or background clutter suppression is based on the erasing property of photorefractive crystals.

Liu, Tsuen-Hsi↗
NASA NTRS2017

Analog Correlator Based on One Bit Digital Correlator

A two input time domain correlator may perform analog correlation. In order to achieve high throughput rates with reduced or minimal computational overhead, the input data streams may be hard limited through adaptive thresholding to yield two binary bit streams. Correlation may be achieved through the use of a Hamming distance calculation, where the distance between the two bit streams approximates the time delay that separates them. The resulting Hamming distance approximates the correlation time delay with high accuracy.

Prokop, Norman↗
NASA NTRSDate not supplied

Improving Structural Test and Analysis Correlation Using Digital Image Correlation Boundary Measurements

Simplified idealizations, such as clamped or simply supported, are commonly used as support boundary conditions in modeling and analysis of tested aerospace structures. However, these simplifications are not always appropriate and characterization of the response of non-rigid boundaries is often required to improve test and analysis correlation. While e analysis models are typically modified to better represent the test, this modification is often not practical due to the complexities of the boundary response. A study is conducted to examine the use of digital image correlation (DIC) to measure the boundary support structure response and then to adjust the test data to remove the effects of the boundary response in order to improve test and analysis correlation. A high-aspect ratio composite wing test is the subject of the study. Three sources of boundary flexibility contributing to rigid body rotation of the test wing are identified and quantified using both DIC and conventional test data. The wing displacement test data are adjusted using DIC data for these sources. Wing displacement test data is also adjusted using direct measurement of wing rotation from a DIC system that monitored the top surface, root region of the wing, and using available conventional instrumentation. The adjusted data exhibits improved test and analysis correlation and demonstrated the benefit of using DIC along with conventional instrumentation to collect and interpret test data.

Andrew E Lovejoy↗
DOE OSTI2019

Fast MAS 1 H– 13 C correlation NMR for structural investigations of plant cell walls

Plant cell walls consist of a mixture of polysaccharides that render the cell wall a strong and dynamic material. Understanding the molecular structure and dynamics of wall polysaccharides is important for understanding and improving the properties of this energy-rich biomaterial. So far, solid-state NMR studies of cell wall structure and dynamics have solely relied on 13 C chemical shifts measured from 2D and 3D correlation experiments. To increase the spectral resolution, sensitivity and upper limit of measurable distances, it is of interest to explore 1 H chemical shifts and 1 H-detected NMR experiments for analyzing cell walls. Here we demonstrate 2D and 3D 1 H– 13 C correlation experiments at both moderate and fast MAS frequencies of 10–50 kHz to resolve and assign 1 H chemical shifts of matrix polysaccharides in Arabidopsis primary cell walls. Here, both 13 C-detected and 1 H-detected experiments are implemented and are shown to provide useful and complementary information. Using the assigned 1 H chemical shifts, we measured long-range correlations between matrix polysaccharides and cellulose using 1 H– 1 H instead of 13 C– 13 C spin diffusion, and the 2D experiments can be conducted with either 13 C or 1 H detection.

1H chemical shift↗
DOE OSTI2022

237 Np Mössbauer Isomer Shifts: A Lesson About the Balance of Static and Dynamic Electron Correlation in Heavy Element Complexes

A large set of neptunium compounds with different oxidation states (III to VII) was assembled to study the Mössbauer isomer shift by wave function calculations and better understand covalency in f-elements complexes. The contact density approach was used to calculate the isomer shift using complete active space self-consistent field (CASSCF) multiconfiguration wave functions, as well as matrix product states [from Density Matrix Renormalization Group (DMRG) algorithms] for large active spaces. Dynamic correlation effects for the isomer shifts were treated via CASPT2 energy derivatives with respect to the nuclear radius. The CASSCF calculations appear to produce different orbital overlocalization errors for low and high Np oxidation states. For compounds with low Np oxidation numbers, the errors can be attributed to the overlocalization of the 5f orbitals. For the compounds with high Np oxidation numbers, the main errors arise from an overlocalization of ligand orbitals and concomitant to weak donation bonding. Attempts to mitigate the overlocalization errors with large active spaces using DMRG were only partially successful, showing that explicit treatment of dynamic correlation is necessary for accurate predictions of Mössbauer isomer shifts. The CASPT2 calculations perform very satisfactorily. For a subset of Np compounds, both static and dynamic correlation effects were substantial. Furthermore, a rational active space selection based on orbital entanglement diagrams proved beneficial for determining the optimal reference wave function.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications

The way to improve Kohn–Sham density functional theory is to improve the exchange–correlation functionals, and functionals have been successively improved by adding new ingredients, especially local spin density gradients, nonlocal Hartree–Fock exchange, and local meta terms based on kinetic energy density. Here, we present a new kind of functional obtained by adding rung-3.5 terms to a functional including local gradients, local meta terms, and range-separated Hartree–Fock exchange. A rung-3.5 term has short-range nonlocality designed to account for nondynamic correlation; we add two kinds of rung-3.5 terms, one kind modeled on position-dependent Hartree–Fock exchange and another modeled on the spin density at a point interacting with the opposite-spin exchange hole at the same point. Here, optimization of the functional yields broad accuracy for both ground states and excited states with especially significant improvement for systems with strong correlation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Effect of Functional and Electron Correlation on the Structure and Spectroscopy of the Al 2 O 3 (001)–H 2 O Interface

Oxide–water interfaces are ubiquitous, with many applications in industry and the environment, yet there is a great deal of controversy over their properties and microscopic structure. This controversy stems, in part, from the unique H-bond networks formed at different surface terminations and mineral compositions. Density functional theory simulations of these interfaces require an accurate description of both the oxide mineral and water in diverse H-bond environments. Thus, herein we simulate the Al 2 O 3 (001)–H 2 O interface using the PBE, PBE-TS, RPBE, SCAN, and HSE06-TS functionals to determine how calculated interfacial properties depend on the choice of functional. We find that the structure of the first few layers of water at the surface is determined by electron correlation in a way that cannot be approximated using semiemipirical van der Waals corrections. Of the functionals investigated, we find that SCAN yields the most accurate interfacial structure, dynamics, and sum frequency generation spectrum. Furthermore, SCAN leads to a reduction in the order of the 2D H-bond network of water at the alumina surface predicted by GGA functionals, leading to a significant decrease in the anisotropy of the diffusion coefficient at the surface. We emphasize the importance of using a functional which accurately describes electron correlation for more complex oxides, such as transition-metal oxides, where electron correlation may play an even greater role in determining the structure and dynamics of the oxide–water interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Superconductivity and strong correlations in moiré flat bands

Strongly correlated systems can give rise to spectacular phenomenology, from high-temperature superconductivity to the emergence of states of matter characterized by long-range quantum entanglement. Low-density flat-band systems play a vital role because the energy range of the band is so narrow that the Coulomb interactions dominate over kinetic energy, putting these materials in the strongly-correlated regime. Experimentally, when a band is narrow in both energy and momentum, its filling may be tuned in situ across the whole range, from empty to full. Recently, one particular flat-band system—that of van der Waals heterostructures, such as twisted bilayer graphene—has exhibited strongly correlated states and superconductivity, but it is still not clear to what extent the two are linked. As a result, we review the status and prospects for flat-band engineering in van der Waals heterostructures and explore how both phenomena emerge from the moiré flat bands.

Balents, Leon↗
DOE OSTI2021

Standardizing Dainotti-correlated gamma-ray bursts, and using them with standardized Amati-correlated gamma-ray bursts to constrain cosmological model parameters

ABSTRACT We show that each of the three Dainotti-correlated gamma-ray burst (GRB) data sets recently compiled by Wang et al. and Hu et al., that together probe the redshift range 0.35 ≤ z ≤ 5.91, obey cosmological-model-independent Dainotti correlations and so are standardizable. We use these GRB data in conjunction with the best currently available Amati-correlated GRB data, that probe 0.3399 ≤ z ≤ 8.2, to constrain cosmological model parameters. The resulting cosmological constraints are weak, providing lower limits on the non-relativistic matter density parameter, mildly favouring non-zero spatial curvature, and largely consistent with currently accelerated cosmological expansion as well as with constraints determined from better-established data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Standardizing Platinum Dainotti-correlated gamma-ray bursts, and using them with standardized Amati-correlated gamma-ray bursts to constrain cosmological model parameters

ABSTRACT We show that the Platinum gamma-ray burst (GRB) data compilation, probing the redshift range 0.553 ≤ z ≤ 5.0, obeys a cosmological-model-independent three-parameter Fundamental Plane (Dainotti) correlation and so is standardizable. While they probe the largely unexplored z ∼ 2.3–5 part of cosmological redshift space, the GRB cosmological parameter constraints are consistent with, but less precise than, those from a combination of baryon acoustic oscillation (BAO) and Hubble parameter [H(z)] data. In order to increase the precision of GRB-only cosmological constraints, we exclude common GRBs from the larger Amati-correlated A118 data set composed of 118 GRBs and jointly analyse the remaining 101 Amati-correlated GRBs with the 50 Platinum GRBs. This joint 151 GRB data set probes the largely unexplored z ∼ 2.3–8.2 region; the resulting GRB-only cosmological constraints are more restrictive, and consistent with, but less precise than, those from H(z) + BAO data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Correlation matrix renormalization theory for correlated-electron materials with application to the crystalline phases of atomic hydrogen

Developing accurate and computationally efficient methods to calculate the electronic structure and total energy of correlated-electron materials has been a very challenging task in condensed matter physics and materials science. Recently, we have developed a correlation matrix renormalization (CMR) method which does not assume any empirical Coulomb interaction U parameters and does not have double counting problems in the ground-state total energy calculation. The CMR method has been demonstrated to be accurate in describing both the bonding and bond breaking behaviors of molecules. In this study, we extend the CMR method to the treatment of electron correlations in periodic solid systems. By using a linear hydrogen chain as a benchmark system, we show that the results from the CMR method compare very well with those obtained recently by accurate quantum Monte Carlo (QMC) calculations. We also study the equation of states of three-dimensional crystalline phases of atomic hydrogen. We show that the results from the CMR method agree much better with the available QMC data in comparison with those from density functional theory and Hartree-Fock calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Hanbury-Brown–Twiss correlation functions and radii from event-by-event hydrodynamics

Hanbury-Brown–Twiss correlation functions and radii from event-by-event hydrodynamics (HoTCoffeeh) is a novel computational tool which determines Hanbury-Brown–Twiss (HBT) charged-pion ( π + ) correlation functions and radii for event-by-event hydrodynamics with fluctuating initial conditions in terms of Cooper–Frye integrals, including resonance-decay contributions. Here, we review the basic formalism for computing the HBT correlation functions and radii with resonance-decay contributions included and discuss our implementation of this formalism in the form of HoTCoffeeh. This tool may easily be integrated with other numerical packages [see, e.g., [ Comput. Phys. Commun. 199 , 61 (2016) ]] for the purpose of simulating the evolution of heavy-ion collisions and thereby extracting predictions for heavy-ion observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗