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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Concentration-dependent ion correlations impact the electrochemical behavior of calcium battery electrolytes.

Ion interactions strongly determine the solvation environments of multivalent electrolytes even at concentrations below that required for practical battery-based energy storage. This statement is particularly true of electrolytes utilizing ethereal solvents due to their low dielectric constants. These solvents are among the most commonly used for multivalent batteries based on reactive metals (Mg, Ca) due to their reductive stability. Recent developments in multivalent electrolyte design have produced a variety of new salts for Mg2+ and Ca2+ that test the limits of weak coordination strength and oxidative stability. Such electrolytes have great potential for enabling full-cell cycling of batteries based on these working ions. However, the ion interactions in these electrolytes exhibit significant and non-intuitive concentration relationships. In this work, we investigate a promising exemplar, calcium tetrakis(hexafluoroisopropoxy)borate (Ca(BHFIP)(2)), in the ethereal solvents 1,2-dimethoxyethane (DME) and tetrahydrofuran (THF) across a concentration range of several orders of magnitude. Surprisingly, we find that effective salt dissociation is lower at relatively dilute concentrations (e.g. 0.01 M) than at higher concentrations (e.g. 0.2 M). Combined experimental and computational dielectric and X-ray spectroscopic analyses of the changes occurring in the Ca2+ solvation environment across these concentration regimes reveals a progressive transition from well-defined solvent-separated ion pairs to de-correlated free ions. This transition in ion correlation results in improvements in both conductivity and calcium cycling stability with increased salt concentration. Comparison with previous findings involving more strongly associating salts highlights the generality of this phenomenon, leading to important insight into controlling ion interactions in ether-based multivalent battery electrolytes.

Hahn, Nathan T.↗
DOE OSTI2021

Combination of cluster number counts and two-point correlations: validation on mock Dark Energy Survey

ABSTRACT We present a method of combining cluster abundances and large-scale two-point correlations, namely galaxy clustering, galaxy–cluster cross-correlations, cluster autocorrelations, and cluster lensing. This data vector yields comparable cosmological constraints to traditional analyses that rely on small-scale cluster lensing for mass calibration. We use cosmological survey simulations designed to resemble the Dark Energy Survey Year 1 (DES-Y1) data to validate the analytical covariance matrix and the parameter inferences. The posterior distribution from the analysis of simulations is statistically consistent with the absence of systematic biases detectable at the precision of the DES-Y1 experiment. We compare the χ2 values in simulations to their expectation and find no significant difference. The robustness of our results against a variety of systematic effects is verified using a simulated likelihood analysis of DES-Y1-like data vectors. This work presents the first-ever end-to-end validation of a cluster abundance cosmological analysis on galaxy catalogue level simulations.

79 ASTRONOMY AND 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 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 OSTI2021

Grain boundary velocity and curvature are not correlated in Ni polycrystals

Grain boundary velocity has been believed to be correlated to curvature, and this is an important relationship for modeling how polycrystalline materials coarsen during annealing. We determined the velocities and curvatures of approximately 52,000 grain boundaries in a nickel polycrystal using three-dimensional orientation maps measured by high-energy diffraction microscopy before and after annealing at 800°C. Unexpectedly, the grain boundary velocities and curvatures were uncorrelated. Instead, we found strong correlations between the boundary velocity and the five macroscopic parameters that specify grain boundary crystallography. The sensitivity of the velocity to grain boundary crystallography might be the result of defect-mediated grain boundary migration or the anisotropy of the grain boundary energy. The absence of a correlation between velocity and curvature likely results from the constraints imposed by the grain boundary network and implies the need for a new model for grain boundary migration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1949

Heat Transfer from High-Temperature Surfaces to Fluids. III - Correlation of Heat-Transfer Data for Air Flowing in Silicon Carbide Tube with Rounded Entrance, Inside Diameter of 3/4 Inch, and Effective Length of 12 Inches: Correlation of Heat-Transfer Data for Air Flowing in Silicon Carbide Tube with Rounded Entrance, Inside Diameter of 3/4 Inch, and Effective Length of 12 Inches - Part 3

A heat-transfer investigation was conducted with air flowing through an electrically heated silicon carbide tube with a rounded entrance, an inside diameter of 3/4 inch, and an effective heat-transfer length of 12 inches over a range of Reynolds numbers up to 300,000 and a range of average inside-tube-wall temperature up to 2500 R. The highest corresponding local outside-tube-wall temperature was 3010 R. Correlation of the heat-transfer data using the conventional Nueselt relation wherein physical properties of the fluid were evaluated at average bulk temperature resulted in a separation of data with tube-wall-temperature level. A satisfactory correlation of the heat-transfer data was obtained, however, by the use of modified correlation parameters wherein the mass velocity G (or product of average air density and velocity evaluated at bulk temperature P(sub b)V(sub b)) in the Reynolds number was replaced by the product of average air velocity evaluated at the bulk temperature and density evaluated at either the average inside-tube-wall temperature or the average film temperature; in addition, all the physical properties of air were correspondingly evaluated at either the average inside-tube-wall temperature or the average film temperature.

Sams, Eldon W.↗