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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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NASA NTRS1995

Simultaneous concentration and purification through gradient deformation chromatography

Mobile-phase additives, commonly used to modulate absorbate retention in gradient elution chromatography, are usually assumed to be either linearly retained or unretained. Previous theoretical work from our laboratory has shown that these modulators, such as salts in ion-exchange and hydrophobic interaction chromatography and organic modifiers in reversed-phase chromatography, can absorb nonlinearly, giving rise to gradient deformation. Consequently, adsorbate peaks that elute in the vicinity of the head of the deformed gradient may exhibit unusual shapes, form shoulders, and/or be concentrated. These effects for a reversed-phase sorbent with aqueous acetonitrile (ACN) as the modulator are verified experimentally. Gradient deformation is demonstrated experimentally and agrees with simulations based on ACN isotherm parameters that are independently determined from batch equilibrium studies using the layer model. Unusual absorbate peak shapes were found experimentally for single-component injections of phenylalanine, similar to those calculated by the simulations. A binary mixture of tryptophan and phenylalanine is used to demonstrate simultaneous concentration and separation, again in agreement with simulations. The possibility of gradient deformation in ion-exchange and hydrophobic interaction chromatography is discussed.

NASA Discipline Number 93-10↗

NASA NTRS2021

Population Properties of Compact Objects from the Second LIGO-Virgo Gravitational-Wave Transient Catalog

We report on the population of 47 compact binary mergers detected with a false-alarm rate of <1yr^(−1) in the second LIGO–Virgo Gravitational-Wave Transient Catalog. We observe several characteristics of the merging binary black hole (BBH) population not discernible until now. First, the primary mass spectrum contains structure beyond a power law with a sharp high-mass cutoff; it is more consistent with a broken power law with a break at 39.7^(+20.3)(-9.1)M or a power law with a Gaussian feature peaking at 33.1^(+4.0)(-5.6)M (90% credible interval). While the primary mass distribution must extend to ~65M or beyond, only 2.9^(+3.5)(-1.7)M% of systems have primary masses greater than 45M. Second, we find that a fraction of BBH systems have component spins misaligned with the orbital angular momentum, giving rise to precession of the orbital plane. Moreover, 12% to 44% of BBH systems have spins tilted by more than 90°, giving rise to a negative effective inspiral spin parameter, χeff. Under the assumption that such systems can only be formed by dynamical interactions, we infer that between 25% and 93% of BBHs with nonvanishing |χeff| > 0.01 are dynamically assembled. Third, we estimate merger rates, finding RBBH = 23.9^(+14.3)(-8.6) Gpc^(-3) yr^(-1) for BBHs and RBNS = 320^(+490)(-240) Gpc^(-3) yr^(-1) for binary neutron stars. We find that the BBH rate likely increases with redshift (85% credibility) but not faster than the star formation rate (86% credibility). Additionally, we examine recent exceptional events in the context of our population models, finding that the asymmetric masses of GW190412 and the high component masses of GW190521 are consistent with our models, but the low secondary mass of GW190814 makes it an outlier.

R Abbott↗

DOE OSTI2020

A Multiwavelength Search for Intrinsic Linear Polarization in Wolf–Rayet Winds

Wolf–Rayet stars have strong, hot winds, with mass-loss rates at least a factor of 10 greater than their O-star progenitors, although their terminal wind speeds are similar. In this paper, we use the technique of multiband linear polarimetry to extract information on the global asymmetry of the wind in a sample of 47 bright Galactic WR stars. Our observations also include time-dependent observations of 17 stars in the sample. The path to our goal includes removing the dominating component of wavelength-dependent interstellar polarization (ISP), which normally follows the well-known Serkowski law. We include a wavelength-dependent ISP position angle parameter in our ISP law and find that 15 stars show significant results for this parameter. We detect a significant component of wavelength-independent polarization due to electron scattering in the wind for 10 cases, with most WR stars showing none at the ∼0.05% level precision of our data. The intrinsically polarized stars can be explained with binary interaction, large-scale wind structure, and clumping. We also found that 5 stars out of 19 observed with the Strömgren b filter (probing the complex λ4600–4700 emission-line region) have significant residuals from the ISP law and propose that this is due to wind asymmetries. We provide a useful catalog of ISP for 47 bright Galactic WR stars and upper limits on the possible level of intrinsic polarization.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Evidence for Evolved Stellar Binary Mergers in Observed B-type Blue Supergiants

Blue supergiants are the brightest stars in their host galaxies, and yet their evolutionary status has been a long-standing problem in stellar astrophysics. In this pioneering work, we present a large sample of 59 early B-type supergiants in the Large Magellanic Cloud with newly derived stellar parameters and identify the signatures of stars born from binary mergers among them. We simulate novel 1D merger models of binaries consisting of post main-sequence giants with helium-rich cores (primaries) and main-sequence companions (secondaries), and consider the effects of interaction of the secondary with the core of the primary along with the mixing induced by the merger in the envelope. Thereafter, the evolution of the newborn 17–43 M ⊙ stars is followed until core-carbon depletion, close to their final pre-explosion stage. Unlike stars born alone with comparable masses, stars born from mergers of evolved binaries are blue throughout their core helium-burning phase and replicate the surface gravities and Hertzsprung–Russell diagram positions of most of our sample, thus indicating that B-type supergiants structurally resemble stars born from such mergers. Moreover, the large nitrogen-to-carbon and nitrogen-to-oxygen number ratios, coupled with helium enhancements exhibited by at least half our data sample, is uniquely reproduced by our merger models. Collectively, these findings provide compelling evidence toward the important role of binary mergers in producing the currently observed population of blue supergiants in our Universe.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Statistics of the NiCoCr medium-entropy alloy: Novel aspects of an old puzzle

Abstract We study the K -state phenomenon in the NiCoCr medium-entropy alloy using first-principles techniques jointly with the efficient Wang–Landau Monte Carlo and simulated annealing algorithms. Our theoretical results successfully explain the existence of the peak around 940 K in the experimental specific heat curve that characterizes the K -state phenomenon and give a fine picture of its atomic origin. The peak is caused by the maximum change of the local configurations characterized by the short-range-order (SRO) parameters at that temperature. The maximum change in SRO parameters is dominated by the nearest-neighbor interactions of atoms but substantially tuned by the many-body interactions. One surprising aspect revealed by the reciprocal-space SRO parameters is that the Ni–Co pair distribution is not random even above the ordering transition temperature, dramatically different from Ni–Cr and Co–Cr, indicating the system cannot be treated as a pseudo binary alloy. This prototypical example shows the complicated nature of multicomponent alloys, different from binary alloys. Our methods can be directly used to study the important K -state phenomenon observed in a number of other composition-concentrated alloys regardless of their number of components.

Pei, Zongrui (ORCID:0000000307484629)↗

NASA NTRSDate not supplied

A Holistic DSMC Transport Database for Re-Entry and Ablation Modeling

Hybrid simulation frameworks combining Computational Fluid Dynamics (CFD) and Direct Simulation Monte Carlo (DSMC) are frequently employed to efficiently perform high-fidelity solutions of environments containing combined continuum/rarified flow. The use of DSMC, a stochastic, particle-based method, is necessary for high-Knudsen flow where continuum-based assumptions governing CFD break down. However, the DSMC methodology is generally very computationally inefficient to model the continuum regime. In a CFD/DSMC hybrid approach, obtaining an accurate, high-fidelity solution hinges on the consistent treatment of transport properties and the used thermo-chemical models employed within the two solvers. In principle, in regions where CFD and DSMC are both employed, the same gas mixture under the same conditions should have the same properties, regardless of simulation type. Observed differences should be due to non-equilibrium processes, rather than differences in physical models. While the transport models governing CFD and DSMC simulations are starkly different, they can effectively be linked via their use of reduced Chapman-Enskog collision integrals. In CFD, these integrals are typically stored as fitted polynomial expressions and used to directly compute gas transport properties via mixing rules or the full Chapman-Enskog formulation. In DSMC, they can be used to derive the collision parameters needed for the phenomenological collision cross-section models that govern particle interactions, via a Nelder-Mead optimization scheme. The goal of this work is to provide a unified DSMC transport database encompassing the vast majority of known gas species encountered during atmospheric entry, on Earth or any other Solar body. This goal is largely possible due to recently performed ab-initio quantum chemistry calculations. Combined with other high-fidelity literature sources, the planned database will consist of collision integral data for over 200 neutral and ionized species and over 17000 binary collisions. From these collision integrals, Nelder-Mead optimization is used to compute Variable Soft Sphere (VSS) collision model parameters for DSMC, fitted from 300 K to 20000 K. Initial comparisons of transport properties of relevant equilibrium gas mixtures show great agreement between CFD and DSMC-derived results. The completed database will be able to be readily applied to model binary collisions of any gas mixture containing the included species over the specified temperature range, making it a valuable tool for future planetary probe modeling efforts. An example is shown below. Equilibrium mixture transport properties for a 19-species Titan atmospheric model [4] are computed using both fitted VSS parameters and the original CFD collision integral values. Deviations in computed properties between the two approaches is less than 5% for the entire temperature range.

M R Gosma↗

NASA NTRS1979

Energetic binary collisions in rare gas plasmas

Calculations have been made of cross sections for energy and momentum transfer in binary collisions between like pairs of Ar, Kr, and Xe atoms in the energy range from about 1 to 1000 eV. These calculations were made using a classical model with pair interaction potentials for the rare gases developed from experimental sources, e.g., investigations of specific heats, viscosities, solid-state parameters, and scattering data. Cross sections in this energy range have not been available. The cross sections exhibit a rapid decrease from accepted values at thermal energies as the interaction energy increases. This behavior can be used to understand directed beam propagation limits as well as particle propagation within a plasma. Experimental data have also been fit to a theoretical expression for the Ar resonance charge exchange cross section over the same energy range.

Robinson, R. S.↗

DOE OSTI2022

Orbital Decay of Double White Dwarfs: Beyond Gravitational-wave Radiation Effects

The traditional description of the orbital evolution of compact-object binaries, like double white dwarfs (DWDs), assumes that the system is driven only by gravitational-wave (GW) radiation. However, the high magnetic fields with intensities of up to gigagausses measured in WDs alert a potential role of the electromagnetic (EM) emission in the evolution of DWDs. We evaluate the orbital dynamics of DWDs under the effects of GW radiation, tidal synchronization, and EM emission by a unipolar inductor generated by the magnetic primary and the relative motion of the nonmagnetic secondary. We show that the EM emission can affect the orbital dynamics for magnetic fields larger than megagausses. We applied the model to two known DWDs, SDSS J0651+2844 and ZTF J1539+5027, for which the GW radiation alone does not fully account for the measured orbital decay rate. We obtain upper limits to the primary's magnetic field strength, over which the EM emission causes an orbital decay faster than observed. The contribution of tidal locking and the EM emission is comparable, and together they can contribute up to 20% to the measured orbital decay rate. We show that the gravitational waveform for a DWD modeled as purely driven by GWs and including tidal interactions and EM emission can have large relative dephasing detectable in the mHz regime of frequencies relevant for space-based detectors like LISA. Therefore, including physics besides GW radiation in the waveform templates is essential to calibrate the GW detectors using known sources, e.g., ZTF J1539+5027, and to infer binary parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1995

Hydrodynamics of coalescing binary neutron stars: Ellipsoidal treatment

We employ an approximate treatment of dissipative hydrodynamics in three dimensions to study the coalescence of binary neutron stars driven by the emission of gravitational waves. The stars are modeled as compressible ellipsoids obeying a polytropic equation of state; all internal fluid velocities are assumed to be linear functions of the coordinates. The hydrodynamics equations then reduce to a set of coupled ordinary differential equations for the evolution of the principal axes of the ellipsoids, the internal velocity parameters, and the binary orbital parameters. Gravitational radiation reaction and viscous dissipation are both incorporated. We set up exact initial binary equilibrium configurations and follow the transition from the quasi-static, secular decay of the orbit at large separation to the rapid dynamical evolution of the configurations just prior to contact. A hydrodynamical instability resulting from tidal interactions significantly accelerates the coalescence at small separation, leading to appreciable radial infall velocity and tidal lag angles near contact. This behavior is reflected in the gravitational waveforms and may be observable by gravitational wave detectors under construction. In cases where the neutron stars have spins which are not aligned with the orbital angular momentum, the spin-induced quadrupole moment can lead to precession of the orbital plane and therefore modulation of the gravitational wave amplitude even at large orbital radius. However, the amplitude of the modulation is small for typical neutron star binaries with spins much smaller than the orbital angular momentum.

Lai, Dong↗

DOE OSTI2025

Modeling ethanol/water adsorption in all-silica zeolites using the real adsorbed solution theory

A comprehensive set of single-component and binary isotherms were collected for ethanol/water adsorption into the siliceous forms of 185 known zeolites using grand-canonical Monte Carlo simulations. Using these data, a systematic analysis of ideal/real adsorbed-solution theory (IAST/RAST) was conducted and activity coefficients were derived for ethanol/water mixtures adsorbed in different zeolites based on RAST. It was found that activity coefficients of ethanol are close to unity while activity coefficients of water are larger in most zeolites, indicating a positive excess free energy of the mixture. This observation can be attributed to water/ethanol interactions being less favorable than water/water interactions in the single-component adsorption of water at comparable loadings. The deviation from ideal behavior can be highly structure-dependent but no clear correlation with pore diameters was identified. Furthermore, our analysis also demonstrates the following: (1) accurate unary isotherms in the low-loading regime are critical for obtaining physically sensible activity coefficients; (2) the global regression scheme to solve for activity model parameters performs better than fitting activity models to activity coefficients calculated locally at each binary state point; and (3) including the dependence on adsorption potential offers only a minor benefit for describing binary adsorption at the lowest fugacities. Finally, the Margules activity model was found incapable of capturing the non-ideal adsorption behavior over the entire range of fugacities and compositions in all zeolites, but for conditions typical of solution-phase adsorption, RAST predictions using zeolite-specific or even bulk Margules parameters provide an improved description compared to IAST.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Dynamics of massive black holes as a possible candidate of Galactic dark matter

If the dark halo of the Galaxy is comprised of massive black holes (MBHs), then those within approximately 1 kpc will spiral to the center, where they will interact with one another, forming binaries which contract, owing to further dynamical friction, and then possibly merge to become more massive objects by emission of gravitational radiation. If successive mergers would invariably lead, as has been proposed by various authors, to the formation of a very massive nucleus of 10(exp 8) solar mass, then the idea of MBHs as a dark matter candidate could be excluded on observational grounds, since the observed limit (or value) for a Galactic central black hole is approximately 10(exp 6.5) solar mass. But, if successive mergers are delayed or prevented by other processes, such as the gravitational slingshot or rocket effect of gravitational radiation, then a large mass accumulation will not occur. In order to resolve this issue, we perform detailed N-body simulations using a modfied Aarseth code to explore the dynamical behavior of the MBHs, and we find that for a 'best estimate' model of the Galaxy a runaway does not occur. The code treates the MBHs as subject to the primary gravitational forces of one another and to the smooth stellar distribution, as well as the secondary perturbations in their orbits due to another and to the smooth stellar distribution, as well as the secondary perturbations in their orbits due to dynamical friction and gravitational radiation. Instead of a runaway, three-body interactions between hard binaries and single MBHs eject massive objects before accumulation of more than a few units, so that typically the center will contain zero, one, or two MBHs. We study how the situation depends in detail on the mass per MBH, the rotation of the halo, the mass distribution within the Galaxy, and other parameters. A runaway will most sensitively depend on the ratio of initial (spheroid/halo) central mass densities and secondarily on the typical values for the mass per MBH, with the rough dividing line, using Galactic parameters, being M(sub BH) less than or = 10(exp 6.5) solar mass. Using parameters from Lacey & Ostriker (1985) and our most accurate model for Galaxy, no runaway occurs.

Xu, Guohong↗

NASA NTRS1999

Directional Solidification of a Binary Alloy into a Cellular Convective Flow: Localized Morphologies

A steady, two dimensional cellular convection modifies the morphological instability of a binary alloy that undergoes directional solidification. When the convection wavelength is far longer than that of the morphological cells, the behavior of the moving front is described by a slow, spatial-temporal dynamics obtained through a multiple-scale analysis. The resulting system has a "parametric-excitation" structure in space, with complex parameters characterizing the interactions between flow, solute diffusion, and rejection. The convection stabilizes two dimensional disturbances oriented with the flow, but destabilizes three dimensional disturbances in general. When the flow is weak, the morphological instability behaves incommensurably to the flow wavelength, but becomes quantized and forced to fit into the flow-box as the flow gets stronger. At large flow magnitudes the instability is localized, confined in narrow envelopes with cells traveling with the flow. In this case the solutions are discrete eigenstates in an unbounded space. Their stability boundary and asymptotics are obtained by the WKB analysis.

Chen, Y.- J.↗

NASA NTRS2006

"One-Stop Shopping" for Ocean Remote-Sensing and Model Data

OurOcean Portal 2.0 (http:// ourocean.jpl.nasa.gov) is a software system designed to enable users to easily gain access to ocean observation data, both remote-sensing and in-situ, configure and run an Ocean Model with observation data assimilated on a remote computer, and visualize both the observation data and the model outputs. At present, the observation data and models focus on the California coastal regions and Prince William Sound in Alaska. This system can be used to perform both real-time and retrospective analyses of remote-sensing data and model outputs. OurOcean Portal 2.0 incorporates state-of-the-art information technologies (IT) such as MySQL database, Java Web Server (Apache/Tomcat), Live Access Server (LAS), interactive graphics with Java Applet at the Client site and MatLab/GMT at the server site, and distributed computing. OurOcean currently serves over 20 real-time or historical ocean data products. The data are served in pre-generated plots or their native data format. For some of the datasets, users can choose different plotting parameters and produce customized graphics. OurOcean also serves 3D Ocean Model outputs generated by ROMS (Regional Ocean Model System) using LAS. The Live Access Server (LAS) software, developed by the Pacific Marine Environmental Laboratory (PMEL) of the National Oceanic and Atmospheric Administration (NOAA), is a configurable Web-server program designed to provide flexible access to geo-referenced scientific data. The model output can be views as plots in horizontal slices, depth profiles or time sequences, or can be downloaded as raw data in different data formats, such as NetCDF, ASCII, Binary, etc. The interactive visualization is provided by graphic software, Ferret, also developed by PMEL. In addition, OurOcean allows users with minimal computing resources to configure and run an Ocean Model with data assimilation on a remote computer. Users may select the forcing input, the data to be assimilated, the simulation period, and the output variables and submit the model to run on a backend parallel computer. When the run is complete, the output will be added to the LAS server for

Li, P. Peggy↗

DOE OSTI2020

Deep Learning Prediction of Interspecies Interactions from Self-organized Spatiotemporal Patterns of Co-evolving Organisms

Microorganisms colonizing natural habits such as soils co-evolve to form specific spatial patterns through interspecies interactions. These self-organized patterns are a key ecological phenotype, which provides critical information on their interaction mechanisms. However, conventional network inference techniques that analyze species population data in bulk have yet to be extended to account for such spatial heterogeneity. Here we proposed supervised deep learning as a new network inference tool for predicting interspecies interactions from spatiotemporal patterns of microbial evolution. Due to lack of biological imaging data that can be used for training deep learning networks, we used in silico data generated from high-fidelity agent-based models to determine model structure and parameters. Even though networks were trained under simple configurations where interaction coefficients are assumed to be spatially invariant, we demonstrated that the resulting model can be utilized to successfully predict spatial variation of interactions in more complex domains (i.e., configured with a context-dependent mixture of interaction coefficients) as well as in simple domains without further training. In the further test against real biological data obtained through imaging experiments of a binary consortium (Pseudomonas fluorescens and a mutant of Escherichia coli), our model also predicted the dramatic shifts in interactions of the two organisms across different environmental contexts. Through various successful demonstrations in this work, the combined use of the agent-based model and machine learning algorithm provides a means to use new type of data - microscopic images - for extracting microbial interactions, therefore presenting itself as a useful tool for the analysis of more complex microbial community interactions.

Lee, Joon-Yong↗

NASA NTRS2015

A Coordinated X-Ray and Optical Campaign of the Nearest Massive Eclipsing Binary, Delta Orionis Aa. II. X-Ray Variability

We present time-resolved and phase-resolved variability studies of an extensive X-ray high-resolution spectral data set of the delta Ori Aa binary system. The four observations, obtained with Chandra ACIS (Advanced CCD Imaging Spectrometer) HETGS (High Energy Transmission Grating), have a total exposure time approximately equal to 479 kiloseconds and provide nearly complete binary phase coverage. Variability of the total X-ray flux in the range of 5-25 angstroms is confirmed, with a maximum amplitude of about plus or minus15 percent within a single approximately equal to125 kiloseconds observation. Periods of 4.76 and 2.04 days are found in the total X-ray flux, as well as an apparent overall increase in the flux level throughout the nine-day observational campaign. Using 40 kiloseconds contiguous spectra derived from the original observations, we investigate the variability of emission line parameters and ratios. Several emission lines are shown to be variable, including S (sub XV), Si (sub XIII), and Ne (sub IX). For the first time, variations of the X-ray emission line widths as a function of the binary phase are found in a binary system, with the smallest widths at phi = 0.0 when the secondary delta Ori Aa2 is at the inferior conjunction. Using 3D hydrodynamic modeling of the interacting winds, we relate the emission line width variability to the presence of a wind cavity created by a wind-wind collision, which is effectively void of embedded wind shocks and is carved out of the X-ray-producing primary wind, thus producing phase-locked X-ray variability.

X-ray flux↗

DOE OSTI2021

Skyrmions in an oblique field

Here we study skyrmion states induced by the oblique field in a square magnetic island. To describe stable states and dynamics of the skyrmion, we employ the lattice model that accounts for all relevant interactions and uses parameters in the range of practical interest. Depending on the orientation of the field, two or four spatially separated energy minima emerge in the oblique field. The depth of the energy minima can be controlled by the strength and orientation of the magnetic field. We study the dynamics of the skyrmion and show that it can be moved between any two states by the field gradient. Possible applications for developing binary and quaternary skyrmion-based memory are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Dynamical ejecta synchrotron emission as a possible contributor to the changing behaviour of GRB170817A afterglow

ABSTRACT Over the past 3 yr, the fading non-thermal emission from the GW170817 remained generally consistent with the afterglow powered by synchrotron radiation produced by the interaction of the structured jet with the ambient medium. Recent observations by Hajela et al. indicate the change in temporal and spectral behaviour in the X-ray band. We show that the new observations are compatible with the emergence of a new component due to non-thermal emission from the fast tail of the dynamical ejecta of ab-initio binary neutron star merger simulations. This provides a new avenue to constrain binary parameters. Specifically, we find that equal mass models with soft equations of state (EOSs) and high-mass ratio models with stiff EOSs are disfavoured as they typically predict afterglows that peak too early to explain the recent observations. Moderate stiffness and mass ratio models, instead, tend to be in good overall agreement with the data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Insights from binary pulsars and laboratories into baryon number violation: Implications for GeV dark matter

Rare processes in laboratory and within astrophysical environments can be highly sensitive probes of baryon-number-violating interactions at the TeV scale. We demonstrate the power of neutron stars to constrain baryon-number violation by considering a minimal extension of the standard model involving a TeV-mass scalar mediator and a GeV scale Majorana fermion ψ . We find that a Δ B = 2 mass-loss process in binary pulsar systems via n → γ ψ and the subsequent scattering ψ n → π − K + places stringent constraints on the model parameter space. These limits will become much stronger, due to the possibility of Λ → γ ψ decays at the tree level, if the neutron star equation of state is hyperonic. We compare these constraints with ongoing and future collider experiments, n − n ¯ oscillations, and dinucleon decay searches at future large-scale neutrino experiments, finding that the binary pulsars bounds on couplings are significantly tighter for specific flavor combinations. Published by the American Physical Society 2024

baryons↗