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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Sample preparation with sucrose cryoprotection dramatically alters Zn distribution in the rodent hippocampus, as revealed by elemental mapping

Transition metal ions (Fe, Mn, Cu, Zn) are essential for healthy brain function, but altered concentration, distribution, or chemical form of the metal ions has been implicated in numerous brain pathologies. Currently, it is not possible to image the cellular or sub-cellular distribution of metal ions in vivo and therefore, studying brain-metal homeostasis largely relies on ex vivo in situ elemental mapping. Sample preparation methods that accurately preserve the in vivo elemental distribution are essential if one wishes to translate the knowledge of elemental distributions measured ex vivo toward increased understanding of chemical and physiological pathways of brain disease. Furthermore, the choice of sample preparation is particularly important for metal ions that exist in a labile or mobile form, for which the in vivo distribution could be easily distorted by inappropriate sample preparation. One of the most widely studied brain structures, the hippocampus, contains a large pool of labile and mobile Zn. Herein, we describe how sucrose cryoprotection, the gold standard method of preparing tissues for immuno-histochemistry or immuno-fluorescence, which is also often used as a sample preparation method for elemental mapping studies, drastically alters hippocampal Zn distribution. Based on the results of this study, in combination with a comparison against the strong body of published literature that has used either rapid plunge freezing of brain tissue, or sucrose cryo-protection, we strongly urge investigators in the future to cease using sucrose cryoprotection as a method of sample preparation for elemental mapping, especially if Zn is an analyte of interest.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Quantitative local state of charge mapping by operando electrochemical fluorescence microscopy in porous electrodes

We introduce operando quantitative electrochemical fluorescence state of charge mapping (QEFSM), a non-invasive technique to study operating electrochemical systems along with a new design of optically transparent microfluidic redox flow cells compatible with the most demanding optical requirements. QEFSM allows quantitative mappings of the concentration of a particular oxidation state of a redox-active species within a porous electrode during its operation. In this study, we used confocal microscopy to map the fluorescence signal of the reduced form of 2,7-anthraquinone disulfonate (AQDS) in a set of multistep-chronoamperometry experiments. Calibrating these images and incorporating an analytical model of quinhydrone heterodimer formation with no free parameters, and accounting for the emission of each species involved, we determined the local molecular concentration and the state of charge (SOC) fields within a commercial porous electrode during operation. With this method, electrochemical conversion and species advection, reaction and diffusion can be monitored at heretofore unprecedented transverse and axial resolution (1 μm and 25 μm, respectively) at frame rates of 0.5 Hz, opening new routes to understanding local electrochemical processes in porous electrodes. Here, we observed pore-scale SOC inhomogeneities appearing when the fraction of electroactive species converted in a single pass through the electrode becomes large.

42 ENGINEERING↗
DOE OSTI2015

Sensitivity map computation in adaptive electrical capacitance volume tomography with multielectrode excitations

Electrical capacitance tomography (ECT) is a low‐cost, high‐speed imaging technique useful in many industrial settings. ECT is predicated on the knowledge of sensitivity maps between capacitance electrodes that blanket the imaging domain. The simultaneous activation of multiple electrodes can be advantageous to manipulate the resulting field distributions and capture additional spatial information for imaging purposes. However, conventional methods for sensitivity map computation in ECT are not adequate in the presence of multielectrode activation because the mutual coupling between electrodes is not properly accounted for. This coupling becomes especially critical in adaptive electrical capacitance volume tomography (AECVT) sensors, where signals from many small electrode segments are combined into synthetic electrodes. A more general approach is presented for sensitivity map computation in AECVT based on the actual posteriori (induced) charge distributions rather than the conventional approach based on boundary conditions with no account for electrode interactions.

Zeeshan, Z.↗
DOE OSTI2016

Planck intermediate results: XLI. A map of lensing-induced B -modes

The secondary cosmic microwave background (CMB) B-modes stem from the post-decoupling distortion of the polarization E-modes due to the gravitational lensing effect of large-scale structures. These lensing-induced B-modes constitute both a valuable probe of the dark matter distribution and an important contaminant for the extraction of the primary CMB B-modes from inflation. Planck provides accurate nearly all-sky measurements of both the polarization E-modes and the integrated mass distribution via the reconstruction of the CMB lensing potential. By combining these two data products, we have produced in this paper an all-sky template map of the lensing-induced B-modes using a real-space algorithm that minimizes the impact of sky masks. The cross-correlation of this template with an observed (primordial and secondary) B-mode map can be used to measure the lensing B-mode power spectrum at multipoles up to 2000. In particular, when cross-correlating with the B-mode contribution directly derived from the Planck polarization maps, we obtain lensing-induced B-mode power spectrum measurement at a significance level of 12σ, which agrees with the theoretical expectation derived from the Planck best-fit Λ cold dark matter model. This unique nearly all-sky secondary B-mode template, which includes the lensing-induced information from intermediate to small (10 ≲ ℓ ≲ 1000) angular scales, is delivered as part of the Planck 2015 public data release. Finally, it will be particularly useful for experiments searching for primordial B-modes, such as BICEP2/Keck Array or LiteBIRD, since it will enable an estimate to be made of the lensing-induced contribution to the measured total CMB B-modes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Planck intermediate results: XLVI. Reduction of large-scale systematic effects in HFI polarization maps and estimation of the reionization optical depth

This study describes the identification, modelling, and removal of previously unexplained systematic effects in the polarization data of the Planck High Frequency Instrument (HFI) on large angular scales, including new mapmaking and calibration procedures, new and more complete end-to-end simulations, and a set of robust internal consistency checks on the resulting maps. These maps, at 100, 143, 217, and 353 GHz, are early versions of those that will be released in final form later in 2016. The improvements allow us to determine the cosmic reionization optical depth τ using, for the first time, the low-multipole EE data from HFI, reducing significantly the central value and uncertainty, and hence the upper limit. Two different likelihood procedures are used to constrain τ from two estimators of the CMB E- and B-mode angular power spectra at 100 and 143 GHz, after debiasing the spectra from a small remaining systematic contamination. These all give fully consistent results. A further consistency test is performed using cross-correlations derived from the Low Frequency Instrument maps of the Planck 2015 data release and the new HFI data. For this purpose, end-to-end analyses of systematic effects from the two instruments are used to demonstrate the near independence of their dominant systematic error residuals. The tightest result comes from the HFI-based τ posterior distribution using the maximum likelihood power spectrum estimator from EE data only, giving a value 0.055 ± 0.009. Finally, in a companion paper these results are discussed in the context of the best-fit PlanckΛCDM cosmological model and recent models of reionization.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Candidate cosmic filament in the GJ526 field, mapped with the NIKA2 camera

Distinctive large-scale structures have been identified in the spatial distribution of optical galaxies up to redshift z ~ 1. In the more distant universe, the relationship between the dust-obscured population of star-forming galaxies observed at millimetre wavelengths and the network of cosmic filaments of dark matter apparent in all cosmological hydrodynamical simulations is still under study. Using the NIKA2 dual-band millimetre camera, we mapped a field of ~90 arcmin 2 in the direction of the star GJ526 simultaneously in its 1.15-mm and 2.0-mm continuum wavebands to investigate the nature of the quasi-alignment of five sources found ten years earlier with the MAMBO camera at 1.2 mm. We find that these sources are not clumps of a circumstellar debris disc around this star as initially hypothesized. Rather, they must be dust-obscured star-forming galaxies, or sub-millimetre galaxies (SMGs), in the distant background. The new NIKA2 map at 1.15 mm reveals a total of seven SMGs distributed in projection on the sky along a filament-like structure crossing the whole observed field. Furthermore, we show that the NIKA2 and supplemental Herschel photometric data are compatible with a model of the spectral energy distributions (SEDs) of these sources when a common redshift of 2.5 and typical values of the dust parameters for SMGs are adopted. Hence, we speculate that these SMGs might be located in a filament of the distant ‘cosmic web’. The length of this candidate cosmic filament crossing the whole map is at least 4 cMpc (comoving), and the separations between sources are between 0.25 cMpc and 1.25 cMpc at this redshift, in line with expectations from cosmological simulations. Nonetheless, further observations to determine the precise spectroscopic redshifts of these sources are required to definitively support this hypothesis of SMGs embedded in a cosmic filament of dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Inference of the optical depth to reionization τ from Planck CMB maps with convolutional neural networks

The optical depth to reionization, τ, is the least constrained parameter of the cosmological Λ cold dark matter (ΛCDM) model. To date, its most precise value is inferred from large-scale polarized cosmic microwave background (CMB) power spectra from the High Frequency Instrument (HFI) aboard the Planck satellite. These maps are known to contain significant contamination by residual non-Gaussian systematic effects, which are hard to model analytically. Therefore, robust constraints on τ are currently obtained through an empirical cross-spectrum likelihood built from simulations. In this paper, we present a likelihood-free inference of τ from polarized Planck HFI maps which, for the first time, is fully based on neural networks (NNs). NNs have the advantage of not requiring an analytical description of the data and can be trained on state-of-the-art simulations, combining the information from multiple channels. By using Gaussian sky simulations and Planck SRoll2 simulations, including CMB, noise, and residual instrumental systematic effects, we trained, tested, and validated NN models considering different setups. We inferred the value of τ directly from Stokes Q and U maps at ~4° pixel resolution, without computing angular power spectra. On Planck data, we obtained τ NN = 0.0579 ± 0.0082, which is compatible with current EE cross-spectrum results but with a ~30% larger uncertainty, which can be assigned to the inherent nonoptimality of our estimator and to the retraining procedure applied to avoid biases. While this paper does not improve on current cosmological constraints on τ, our analysis represents a first robust application of NN-based inference on real data, and highlights its potential as a promising tool for complementary analysis of near-future CMB experiments, also in view of the ongoing challenge to achieve the first detection of primordial gravitational waves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Improving long time behavior of Poisson bracket mapping equation: A non-Hamiltonian approach

Understanding nonadiabatic dynamics in complex systems is a challenging subject. A series of semiclassical approaches have been proposed to tackle the problem in various settings. The Poisson bracket mapping equation (PBME) utilizes a partial Wigner transform and a mapping representation for its formulation, and has been developed to describe nonadiabatic processes in an efficient manner. Operationally, it is expressed as a set of Hamilton's equations of motion, similar to more conventional classical molecular dynamics. However, this original Hamiltonian PBME sometimes suffers from a large deviation in accuracy especially in the long time limit. Here, we propose a non-Hamiltonian variant of PBME to improve its behavior especially in that limit. As a benchmark, we simulate spin-boson and photosynthetic model systems and find that it consistently outperforms the original PBME and its Ehrenfest style variant. We explain the source of this improvement by decomposing the components of the mapping Hamiltonian and by assessing the energy flow between the system and the bath. We discuss strengths and weaknesses of our scheme with a viewpoint of offering future prospects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Digital noise generators using one-dimensional chaotic maps

This work shows how to improve the statistical distribution of signals produced by digital noise generators designed with one-dimensional (1-D) chaotic maps. It also shows that in a digital electronic design the piecewise linear chaotic maps (PWLCM) should be considered because they do not have stability islands in its chaotic behavior region, as it occurs in the case of the logistic map, which is commonly used to build noise generators. The design and implementation problems of the digital noise generators are analyzed and a solution is proposed. This solution relates the output of PWLCM, usually defined in the real numbers' domain, with a codebook of S elements, previously defined. The proposed solution scheme produces digital noise signals with a statistical distribution close to a uniform distribution. Finally, this work shows that it is possible to have control over the statistical distribution of the noise signal by selecting the control parameter of the PWLCM and using, as a design criterion, the bifurcation diagram.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Auger electron nanoscale mapping and x-ray photoelectron spectroscopy combined with gas cluster ion beam sputtering to study an organic bulk heterojunction

The lateral and vertical distributions of organic p/n bulk heterojunctions for an organic solar cell device are, respectively, investigated using nanometer-scale Auger electron mapping and using X-ray photoelectron spectroscopy (XPS) with Ar gas cluster ion beam (GCIB) sputtering. The concentration of sulfur, present only in the p-type material, is traced to verify the distribution of p-type (donor) and n-type (acceptor) materials in the blended structure. In the vertical direction, a considerable change in atomic sulfur concentration is observed using XPS depth profiling with Ar GCIB sputtering. In addition, Auger electron mapping of sulfur reveals the lateral 2-dimensional distribution of p- and n-type materials. The combination of Auger electron mapping with Ar GCIB sputtering should thereby allow the construction of 3-dimensional distributions of p- and n-type materials in organic photovoltaic cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Nanoscale mapping of the W/Si(001) Schottky barrier

The W/Si(001) Schottky barrier was spatially mapped with nanoscale resolution using ballistic electron emission microscopy (BEEM) and ballistic hole emission microscopy (BHEM) using n-type and p-type silicon substrates. The formation of an interfacial tungsten silicide is observed utilizing transmission electron microscopy and Rutherford backscattering spectrometry. The BEEM and BHEM spectra are fit utilizing a linearization method based on the power law BEEM model using the Prietsch Ludeke fitting exponent. The aggregate of the Schottky barrier heights from n-type (0.71 eV) and p-type (0.47 eV) silicon agrees with the silicon band gap at 80 K. Spatially resolved maps of the Schottky barrier are generated from grids of 7225 spectra taken over a 1 μm × 1 μm area and provide insight into its homogeneity. Histograms of the barrier heights have a Gaussian component consistent with an interface dipole model and show deviations that are localized in the spatial maps and are attributed to compositional fluctuations, nanoscale defects, and foreign materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

An improved classical mapping method for homogeneous electron gases at finite temperature

We introduce a modified classical mapping method to predict the exchange-correlation free energy and the structure of homogeneous electron gases (HEG) at finite temperature. With the classical map temperature parameterized on the basis of the quantum Monte Carlo simulation data for the correlation energy and exact results at high and low temperature limits, the new theoretical procedure greatly improves the classical mapping method for correlating the energetic properties HEG over a broad range of thermodynamic conditions. Improvement can also be identified in predicting the long-range components of the spin-averaged pair correlation functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Diffusion maps, clustering and fuzzy Markov modeling in peptide folding transitions

Using the helix-coil transitions of alanine pentapeptide as an illustrative example, we demonstrate the use of diffusion maps in the analysis of molecular dynamics simulation trajectories. Diffusion maps and other nonlinear data-mining techniques provide powerful tools to visualize the distribution of structures in conformation space. The resulting low-dimensional representations help in partitioning conformation space, and in constructing Markov state models that capture the conformational dynamics. In an initial step, we use diffusion maps to reduce the dimensionality of the conformational dynamics of Ala5. The resulting pretreated data are then used in a clustering step. The identified clusters show excellent overlap with clusters obtained previously by using the backbone dihedral angles as input, with small—but nontrivial—differences reflecting torsional degrees of freedom ignored in the earlier approach. We then construct a Markov state model describing the conformational dynamics in terms of a discrete-time random walk between the clusters. We show that by combining fuzzy C-means clustering with a transition-based assignment of states, we can construct robust Markov state models. This state-assignment procedure suppresses short-time memory effects that result from the non-Markovianity of the dynamics projected onto the space of clusters. In a comparison with previous work, we demonstrate how manifold learning techniques may complement and enhance informed intuition commonly used to construct reduced descriptions of the dynamics in molecular conformation space.

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

Facile and high spatial resolution ratio-metric luminescence thermal mapping in microfluidics by near infrared excited upconversion nanoparticles

A local area temperature monitor is important for precise control of chemical and biological processes in microfluidics. In this work, we developed a facile method to realize micron spatial resolution of temperature mapping in a microfluidic channel quickly and cost effectively. Based on the temperature dependent fluorescence emission of NaYF{sub 4}:Yb{sup 3+}, Er{sup 3+} upconversion nanoparticles (UCNPs) under near-infrared irradiation, ratio-metric imaging of UCNPs doped polydimethylsiloxane can map detailed temperature distribution in the channel. Unlike some reported strategies that utilize temperature sensitive organic dye (such as Rhodamine) to achieve thermal sensing, our method is highly chemically inert and physically stable without any performance degradation in long term operation. Moreover, this method can be easily scaled up or down, since the spatial and temperature resolution is determined by an optical imaging system. Our method supplied a simple and efficient solution for temperature mapping on a heterogeneous surface where usage of an infrared thermal camera was limited.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A complete quasiclassical map for the dynamics of interacting fermions

We present a strategy for mapping the dynamics of a fermionic quantum system to a set of classical dynamical variables. The approach is based on imposing the correspondence relation between the commutator and the Poisson bracket, preserving Heisenberg's equation of motion for one-body operators. In order to accommodate the effect of two-body terms, we further impose quantization on the spin-dependent occupation numbers in the classical equations of motion, with a parameter that is determined self-consistently. Expectation values for observables are taken with respect to an initial quasiclassical distribution that respects the original quantization of the occupation numbers. The proposed classical map becomes complete under the evolution of quadratic Hamiltonians and is extended for all even order observables. We show that the map provides an accurate description of the dynamics for an interacting quantum impurity model in the coulomb blockade regime, at both low and high temperatures. In conclusion, the numerical results are aided by a novel importance sampling scheme that employs a reference system to reduce significantly the sampling effort required to converge the classical calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Data-guided Multi-Map variables for ensemble refinement of molecular movies

Driving molecular dynamics simulations with data-guided collective variables offer a promising strategy to recover thermodynamic information from structure-centric experiments. In this study, the three-dimensional electron density of a protein, as it would be determined by cryo-EM or x-ray crystallography, is used to achieve simultaneously free-energy costs of conformational transitions and refined atomic structures. Unlike previous density-driven molecular dynamics methodologies that determine only the best map-model fits, our work employs the recently developed Multi-Map methodology to monitor concerted movements within equilibrium, non-equilibrium, and enhanced sampling simulations. Construction of all-atom ensembles along the chosen values of the Multi-Map variable enables simultaneous estimation of average properties, as well as real-space refinement of the structures contributing to such averages. Using three proteins of increasing size, we demonstrate that biased simulation along the reaction coordinates derived from electron densities can capture conformational transitions between known intermediates. The simulated pathways appear reversible with minimal hysteresis and require only low-resolution density information to guide the transition. The induced transitions also produce estimates for free energy differences that can be directly compared to experimental observables and population distributions. The refined model quality is superior compared to those found in the Protein Data Bank. We find that the best quantitative agreement with experimental free-energy differences is obtained using medium resolution density information coupled to comparatively large structural transitions. Practical considerations for probing the transitions between multiple intermediate density states are also discussed.

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

A decomposition theorem for the space of C{sup 1}-smooth skew products with complicated dynamics of the quotient map

We use the notions of the Ω-function and functions suitable to it, to give a detailed proof of a decomposition theorem for the space of C{sup 1}-smooth skew products of interval maps whose quotient maps have complicated dynamics and satisfy the additional condition of Ω-stability with respect to the C{sup 1}-norm. In our theorem, the space of C{sup 1}-smooth skew products is decomposed into a union of four nonempty, pairwise disjoint subspaces. We give examples of maps contained in each of the four subspaces. Bibliography: 46 titles.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

THE RINGS SURVEY. I. Hα AND H i VELOCITY MAPS OF GALAXY NGC 2280

Precise measurements of gas kinematics in the disk of a spiral galaxy can be used to estimate its mass distribution. The Southern African Large Telescope has a large collecting area and field of view, and is equipped with a Fabry–Pérot (FP) interferometer that can measure gas kinematics in a galaxy from the Hα line. To take advantage of this capability, we have constructed a sample of 19 nearby spiral galaxies, the RSS Imaging and Spectroscopy Nearby Galaxy Survey, as targets for detailed study of their mass distributions and have collected much of the needed data. In this paper, we present velocity maps produced from Hα FP interferometry and H i aperture synthesis for one of these galaxies, NGC 2280, and show that the two velocity measurements are generally in excellent agreement. Minor differences can mostly be attributed to the different spatial distributions of the excited and neutral gas in this galaxy, but we do detect some anomalous velocities in our Hα velocity map of the kind that have previously been detected in other galaxies. Models produced from our two velocity maps agree well with each other and our estimates of the systemic velocity and projection angles confirm previous measurements of these quantities for NGC 2280.

79 ASTRONOMY AND ASTROPHYSICS↗