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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

WD1032 + 011, an inflated brown dwarf in an old eclipsing binary with a white dwarf

We present the discovery of only the third brown dwarf known to eclipse a non-accreting white dwarf. Gaia parallax information and multicolour photometry confirm that the white dwarf is cool (9950 ± 150 K) and has a low mass (0.45 ± 0.05 M ⊙ ), and spectra and light curves suggest the brown dwarf has a mass of 0.067 ± 0.006 M ⊙ (70M Jup ) and a spectral type of L5 ± 1. The kinematics of the system show that the binary is likely to be a member of the thick disc and therefore at least 5-Gyr old. In conclusion, the high-cadence light curves show that the brown dwarf is inflated, making it the first brown dwarf in an eclipsing white dwarf-brown dwarf binary to be so.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Timing Observations of the SMC Binary PSR J0045-7319

We describe radio timing observations of the binary pulsar PSR J0045-7319 made over the past 3.3 yr. We show that a simple timing model involving a standard Keplerian orbit well-describes the data, however significant low-level systematic residuals never before seen in other binary pulsars remain. We consider various possible origins of the residuals.

radio timing of pulsars radio timing of binary pul↗
DOE OSTI2020

Nonlinear Logistic Regression Mixture Experiment Modeling for Binary Data Using Dimensionally Reduced Components

This article presents and illustrates an approach using nonlinear logistic regression for modeling binary response data from a mixture experiment when the components can be partitioned into groups used to form dimensionally-reduced pseudocomponents (DRPs). A DRP is a linear combination of the components in a group, where the linear combinations over all groups are normalized so that the DRP proportions sum to unity. Nonlinear logistic regression is required because, after normalization of the linear combinations, the model expressed in terms of the DRPs is nonlinear in the parameters that specify the linear combinations. A method for obtaining nonparametric tolerance limits on the probability of a “success” for the binary response variable using a bootstrap approach is also presented. Having three DRPs enables viewing data and modeling results on a ternary plot even though there may be many more than three mixture components. A real database, involving whether or not nepheline crystals form in simulated nuclear waste glass after cooling, is used to illustrate the nonlinear logistic regression modeling and nonparametric tolerance limit approaches when there are three DRPs.

Waste glass, Nepheline, Mixture experiment, Logist↗
DOE OSTI2018

Machine learning properties of binary wurtzite superlattices

The burgeoning paradigm of high-throughput computations and materials informatics brings new opportunities in terms of targeted materials design and discovery. The discovery process can be significantly accelerated and streamlined if one can learn effectively from available knowledge and past data to predict materials properties efficiently. Indeed, a very active area in materials science research is to develop machine learning based methods that can deliver automated and cross-validated predictive models using either already available materials data or new data generated in a targeted manner. In the present paper, we show that fast and accurate predictions of a wide range of properties of binary wurtzite superlattices, formed by a diverse set of chemistries, can be made by employing state-of-the-art statistical learning methods trained on quantum mechanical computations in combination with a judiciously chosen numerical representation to encode materials’ similarity. These surrogate learning models then allow for efficient screening of vast chemical spaces by providing instant predictions of the targeted properties. Moreover, the models can be systematically improved in an adaptive manner, incorporate properties computed at different levels of fidelities and are naturally amenable to inverse materials design strategies. Finally, while the learning approach to make predictions for a wide range of properties (including structural, elastic and electronic properties) is demonstrated here for a specific example set containing more than 1200 binary wurtzite superlattices, the adopted framework is equally applicable to other classes of materials as well.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Lagrangian dual method for two-stage robust optimization with binary uncertainties

This report presents a new exact method to calculate worst-case parameter realizations in two-stage robust optimization problems with categorical or binary-valued uncertain data. Traditional exact algorithms for these problems, notably Benders decomposition and column-and-constraint generation, compute worst-case parameter realizations by solving mixed-integer bilinear optimization subproblems. However, their numerical solution can be computationally expensive not only due to their resulting large size after reformulating the bilinear terms, but also because decision-independent bounds on their variables are typically unknown. We propose an alternative Lagrangian dual method that circumvents these difficulties and is readily integrated in either algorithm. We specialize the method to problems where the binary parameters switch on or off constraints as these are commonly encountered in applications, and discuss extensions to problems that lack relatively complete recourse and to those with integer recourse. Numerical experiments provide evidence of significant computational improvements over existing methods.

42 ENGINEERING↗
DOE OSTI2018

A new observation of strain-induced grain boundary serration and its underlying mechanism in a Ni–20Cr binary model alloy

Highlights: • Grain boundary serration was first found to occur in Ni–Cr binary alloy with no precipitate. • The mechanism of segregation-induced serration was proposed. • The serrated grain boundary was enriched with Cr atoms as high as 87 at.%. • The critical strain energy for the serration was determined to be lower than 0.97 kJ/mol. - Abstract: The formation of serrated grain boundaries and its mechanism correlated with straining exerted on grain boundaries were investigated in a Ni–20Cr binary model alloy. This model alloy is a full solid-solution which is deliberately free of carbon and aluminum to exclude precipitation of second phase. A special heat treatment involving slow cooling was used to promote grain boundary serration, which is known to enhance creep properties by decreasing interfacial free energy. No sign of serration could be observed for the Ni–20Cr model alloy, as expected. However, we found that a compressive 5% strain hold applied during slow cooling successfully induced grain boundary serration. The compressive 5% strain hold generated dislocations near the grain boundary, which promoted Cr enrichment near and at the grain boundary. To dismiss the effect of dislocations, straining was removed and the solutionizing temperature was increased in order to promote Cr enrichment near and at grain boundaries by means of vacancy-assisted diffusion of Cr atoms from the bulk to grain boundaries during slow cooling. Significant grain boundary serration was again observed. Atom probe tomography analyses showed that the serrated grain boundary with a wide width of ~ 10 nm was enriched with Cr atoms, as much as 87 at.%, while the γ matrix only contained 34 at.%. First-principles calculations showed that the strain energy necessary for the onset of grain boundary serration is lower than 0.97 kJ/mol.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Computational fluid dynamics simulations of a binary particle bed in a riser-based carbon stripper for chemical looping combustion

Chemical-looping combustion (CLC) is a next generation combustion technology that shows great promise as a solution for the need of high-efficiency low-cost carbon capture from fossil fueled power plants. In this paper, numerical simulations are conducted of a binary particle bed associated with a coal-direct CLC system consisting of coal (represented by plastic beads) and oxygen carrier particles and validated against an experimental riser-based carbon stripper. The detailed particle dynamics and solid-gas and solid-solid interactions are investigated using the Lagrangian particle-tracking approach known as the discrete element method coupled with the computational fluid dynamics solution for the flow field. The simulation results of the fluidization behavior and the separation ratio of the particles are in excellent agreement with the experiment. In conclusion, a credible simulation of a binary particle bed is of particular importance for understanding the details of the fluidization behavior; the baseline simulation established in this work can be used as a tool for designing and optimizing the performance of such systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Assessing interactions of binary mixtures of Penicillium mycotoxins (PMs) by using a bovine macrophage cell line (BoMacs)

Penicillium mycotoxins (PMs) are toxic contaminants commonly found as mixtures in animal feed. Therefore, it is important to investigate potential joint toxicity of PM mixtures. In the present study, we assessed the joint effect of binary combinations of the following PMs: citrinin (CIT), ochratoxin A (OTA), patulin (PAT), mycophenolic acid (MPA) and penicillic acid (PA) using independent action (IA) and concentration addition (CA) concepts. Previously published toxicity data (i.e. IC25; PM concentration that inhibited bovine macrophage (BoMacs) proliferation by 25%) were initially analyzed, and both concepts agreed that OTA + PA demonstrated synergism (p < 0.05), while PAT + PA showed antagonism (p < 0.05). When a follow-up dilution study was carried out using binary combinations of PMs at three different dilution levels (i.e. IC25, 0.5 ∗ IC25, 0.25 ∗ IC25), only the mixture of CIT + OTA at 0.5 ∗ IC25 was determined to have synergism by both IA and CA concepts with Model Deviation Ratios (MDRs; the ratio of predicted versus observed effect concentrations) of 1.4 and 1.7, respectively. The joint effect of OTA + MPA, OTA + PA and CIT + PAT complied with the IA concept, while CIT + PA, PAT + MPA and PAT + PA were better predicted with the CA over the IA concept. The present study suggests to test both IA and CA concepts using multiple doses when assessing risk of mycotoxin mixtures if the mode of action is unknown. In addition, the study showed that the tested PMs could be predicted by IA or CA within an approximate two-fold certainty, raising the possibility for a joint risk assessment of mycotoxins in food and feed. - Highlights: • We investigated the potential joint toxicity of Penicillium mycotoxin (PM) mixtures. • Independent action (IA) and concentration addition (CA) concepts were used. • 7 out of 10 mixtures followed joint toxicity described by IA or CA concepts. • Both concepts agreed that CIT + OTA mixture had synergistic interaction.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Next-generation large-scale binary protein interaction network for Drosophila melanogaster

Generating reference maps of interactome networks illuminates genetic studies by providing a protein-centric approach to finding new components of existing pathways, complexes, and processes. We apply state-of-the-art methods to identify binary protein-protein interactions (PPIs) for Drosophila melanogaster. Four all-by-all yeast two-hybrid (Y2H) screens of > 10,000 Drosophila proteins result in the ‘FlyBi’ dataset of 8723 PPIs among 2939 proteins. Testing subsets of data from FlyBi and previous PPI studies using an orthogonal assay allows for normalization of data quality; subsequent integration of FlyBi and previous data results in an expanded binary Drosophila reference interaction network, DroRI, comprising 17,232 interactions among 6511 proteins. We use FlyBi data to generate an autophagy network, then validate in vivo using autophagy-related assays. The deformed wings (dwg) gene encodes a protein that is both a regulator and a target of autophagy. Altogether, these resources provide a foundation for building new hypotheses regarding protein networks and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

The clumpy absorber in the high-mass X-ray binary Vela X-1

Bright and eclipsing, the high-mass X-ray binary Vela X-1 offers a unique opportunity to study accretion onto a neutron star from clumpy winds of O/B stars and to disentangle the complex accretion geometry of these systems. In Chandra-HETGS spectroscopy at orbital phase ~0.25, when our line of sight towards the source does not pass through the large-scale accretion structure such as the accretion wake, we observe changes in overall spectral shape on timescales of a few kiloseconds. This spectral variability is, at least in part, caused by changes in overall absorption and we show that such strongly variable absorption cannot be caused by unperturbed clumpy winds of O/B stars. We detect line features from high and low ionization species of silicon, magnesium, and neon whose strengths and presence depend on the overall level of absorption. Finally, these features imply a co-existence of cool and hot gas phases in the system, which we interpret as a highly variable, structured accretion flow close to the compact object such as has been recently seen in simulations of wind accretion in high-mass X-ray binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Novel phases of lithium-aluminum binaries from first-principles structural search

Intermetallic Li–Al compounds are on the one hand key materials for light-weight engineering, and on the other hand, they have been proposed for high-capacity electrodes for Li batteries. We determine from first-principles the phase diagram of Li–Al binary crystals using the minima hopping structural prediction method. Beside reproducing the experimentally reported phases (LiAl, Li{sub 3}Al{sub 2}, Li{sub 9}Al{sub 4}, LiAl{sub 3}, and Li{sub 2}Al), we unveil a structural variety larger than expected by discovering six unreported binary phases likely to be thermodynamically stable. Finally, we discuss the behavior of the elastic constants and of the electric potential profile of all Li–Al stable compounds as a function of their stoichiometry.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effective binary theory of multi-component nucleation

Classical theory of multi-component nucleation [O. Hirschfelder, J. Chem. Phys. 61, 2690 (1974)] belongs to the class of the so-called intractable problems: it requires computational time which is an exponential function of the number of components N. For a number of systems of practical interest with N > 10, the brute-force use of the classical theory becomes virtually impossible and one has to resort to an effective medium approach. We present an effective binary model which captures important physics of multi-component nucleation. The distinction between two effective species is based on the observation that while all N components contribute to the cluster thermodynamic properties, there is only a part of them which trigger the nucleation process. The proposed 2D-theory takes into account adsorption by means of the Gibbs dividing surface formalism and uses statistical mechanical considerations for the treatment of small clusters. Theoretical predictions for binary-, ternary-, and 14-component mixtures are compared with available experimental data and other models.

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

Copper-based alloys, crystallographic and crystallochemical parameters of alloys in binary systems Cu-Me (Me=Co, Rh, Ir, Cu, Ag, Au, Ni, Pd, Pt)

The article presents the results of the analysis of phase equilibrium of ordered phases in binary systems based on copper Cu- Me (where Me - Co, Rh, Ir, Ag, Au, Ni, Pd, Pt) to find correlations of crystallochemical and crystallographic factors. It is established that the packing index in disordered solid solutions in binary systems based on copper is close to the value of 0.74 against the background of an insignificant deviation of atomic volumes from the Zen’s law.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Quantum cluster equilibrium model of N-methylformamide–water binary mixtures

The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.

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

THE MULTI-COLOR LIGHT CURVES OF THE W UMa TYPE CONTACT BINARY EP ANDROMEDAE

New multi-color CCD photometric light curves of the eclipsing binary EP And were obtained over six nights in 2006, 2011, and 2012. Using the Wilson-Devinney code, we computed the photometric elements of this system. It was discovered that EP And is a W-type W UMa contact binary system with a mass ratio of q = 2.685 and a degree of contact factor f = 24.9%, rather than an A-type system. Combining 28 newly determined times of minimum light derived from 1999 to 2012 with others collected from the literature, a long-term increase (dP/dt = +5.22 Multiplication-Sign 10{sup -8} days yr{sup -1}) with a sinusoidal variation (A = 0.0109 days; T = 40.89 yr) in the orbital period was found. The orbital period secular increases may be interpreted as conservative mass transfer from the less massive component to the more massive one, and cyclic variations of the orbital period may be caused by the light-travel time effect through the presence of a third body. The evolutionary status and the age of the system are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

NEW PRECISION ORBITS OF BRIGHT DOUBLE-LINED SPECTROSCOPIC BINARIES. VIII. HR 1528, HR 6993, 2 SAGITTAE, AND 18 VULPECULAE

Improved orbital elements for four A-star double-lined spectroscopic binaries have been determined with numerous new radial velocities. Three of the four systems, HR 1528, 2 Sge, and 18 Vul, have moderately short orbital periods of 7.05, 7.39, and 9.31 days, respectively, and also have circular or nearly circular orbits. Only HR 6993 with a period of 14.68 days has a significantly eccentric orbit. The close visual companion of 2 Sge has been detected spectroscopically, and its velocity measured. The orbital dimensions (a {sub 1} sin i and a {sub 2} sin i) and minimum masses (m {sub 1} sin{sup 3} i and m {sub 2} sin{sup 3} i) of the short-period binary components all have accuracies of 0.5% or better. We determine basic properties of the individual stars and compare them with solar-abundance evolutionary tracks to estimate their masses. Half of the eight components may be synchronously or pseudosynchronously rotating.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

M31 GLOBULAR CLUSTER STRUCTURES AND THE PRESENCE OF X-RAY BINARIES

The Andromeda galaxy, M31, has several times the number of globular clusters found in the Milky Way. It contains a correspondingly larger number of low-mass X-ray binaries (LMXBs) associated with globular clusters, and as such can be used to investigate the cluster properties that lead to X-ray binary formation. The best tracer of the spatial structure of M31 globulars is the high-resolution imaging available from the Hubble Space Telescope (HST), and we have used HST data to derive structural parameters for 29 LMXB-hosting M31 globular clusters. These measurements are combined with structural parameters from the literature for a total of 41 (of 50 known) LMXB clusters and a comparison sample of 65 non-LMXB clusters. Structural parameters measured in blue bandpasses are found to be slightly different (smaller core radii and higher concentrations) than those measured in red bandpasses; this difference is enhanced in LMXB clusters and could be related to stellar population differences. Clusters with LMXBs show higher collision rates for their mass compared to clusters without LMXBs, and collision rates estimated at the core radius show larger offsets than rates estimated at the half-light radius. These results are consistent with the dynamical formation scenario for LMXBs. A logistic regression analysis finds that, as expected, the probability of a cluster hosting an LMXB increases with increasing collision rate and proximity to the galaxy center. The same analysis finds that probability of a cluster hosting an LMXB decreases with increasing cluster mass at a fixed collision rate, although we caution that this could be due to sample selection effects. Metallicity is found to be a less important predictor of LMXB probability than collision rate, mass, or distance, even though LMXB clusters have a higher metallicity on average. This may be due to the interaction of location and metallicity: a sample of M31 LMXBs with a greater range in galactocentric distance would likely contain more metal-poor clusters and make it possible to disentangle the two effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Orbital parameters for the two young binaries VSB 111 and VSB 126

We report orbital parameters for two low-mass, pre-main-sequence, double-lined spectroscopic binaries: VSB 111 and VSB 126. These systems were originally identified as single-lined on the basis of visible-light observations. We obtained high-resolution infrared spectra with the 10 m Keck II telescope, detected absorption lines of the secondary stars, and measured radial velocities of both components in the systems. The visible-light spectra were obtained with the 1.5 m Wyeth reflector at the Oak Ridge Observatory, the 1.5 m Tillinghast reflector at the F. L. Whipple Observatory, and the 4.5 m equivalent Multiple Mirror Telescope. The combination of our visible and infrared observations of VSB 111 leads to a period of 902.1 ± 0.9 days, an eccentricity of 0.788 ± 0.008, and a mass ratio of 0.52 ± 0.05. VSB 126 has a period of 12.9244 ± 0.0002 days, an eccentricity of 0.18 ± 0.02, and a mass ratio of 0.29 ± 0.02. Visible-light photometry, using the 0.8 m telescope at Lowell Observatory, provided rotation periods for the primary stars in both systems: 3.74 ± 0.02 days for VSB 111 and 5.71 ± 0.07 days for VSB 126. Both binaries are located in the young, active star-forming cluster NGC 2264 at a distance of ∼800 pc. The difference in the center-of-mass velocities of the two systems is consistent with the radial velocity gradient seen across NGC 2264. To test the evolutionary models for accuracy and consistency, we compare the stellar properties derived from several sets of theoretical calculations for pre-main-sequence evolution with our dynamical results.

79 ASTRONOMY AND ASTROPHYSICS↗