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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High dimensional binary classification under label shift: phase transition and regularization

Label Shift has been widely believed to be harmful to the generalization performance of machine learning models. Researchers have proposed many approaches to mitigate the impact of the label shift, e.g., balancing the training data. However, these methods often consider the underparametrized regime, where the sample size is much larger than the data dimension. The research under the overparametrized regime is very limited. Here, to bridge this gap, we propose a new asymptotic analysis of the Fisher Linear Discriminant classifier for binary classification with label shift. Specifically, we prove that there exists a phase transition phenomenon: Under certain overparametrized regime, the classifier trained using imbalanced data outperforms the counterpart with reduced balanced data. Moreover, we investigate the impact of regularization to the label shift: The aforementioned phase transition vanishes as the regularization becomes strong.

binary classification↗
DOE OSTI2020

Generalized Canonical Polyadic Tensor Decomposition

Tensor decomposition is a fundamental unsupervised machine learning method in data science, with applications including network analysis and sensor data processing. This work develops a generalized canonical polyadic (GCP) low-rank tensor decomposition that allows other loss functions besides squared error. For instance, we can use logistic loss or Kullback--Leibler divergence, enabling tensor decomposition for binary or count data. We present a variety of statistically motivated loss functions for various scenarios. We provide a generalized framework for computing gradients and handling missing data that enables the use of standard optimization methods for fitting the model. Furthermore, we demonstrate the flexibility of the GCP decomposition on several real-world examples including interactions in a social network, neural activity in a mouse, and monthly rainfall measurements in India.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Stability of outer planetary orbits around binary stars - A comparison of Hill's and Laplace's stability criteria

A comparison is made between the stability criteria of Hill and that of Laplace to determine the stability of outer planetary orbits encircling binary stars. The restricted, analytically determined results of Hill's method by Szebehely and coworkers and the general, numerically integrated results of Laplace's method by Graziani and Black (1981) are compared for varying values of the mass parameter mu. For mu = 0 to 0.15, the closest orbit (lower limit of radius) an outer planet in a binary system can have and still remain stable is determined by Hill's stability criterion. For mu greater than 0.15, the critical radius is determined by Laplace's stability criterion. It appears that the Graziani-Black stability criterion describes the critical orbit within a few percent for all values of mu.

Kubala, A.↗
DOE OSTI2025

Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles

Iron carbide (Fe x C y ) nanoparticles (NPs) are promising candidates for replacing platinum group metals in industrial applications, such as high-temperature Fischer–Tropsch synthesis. However, due to their amorphous nature, characterization of the active sites has been challenging experimentally and computationally. Here, using a combined density functional theory (DFT), neural network interatomic potential-assisted global optimization, and ensemble learning study, we evaluate dynamic surface changes associated with syngas (H and CO) interactions. For this purpose, we have developed a general procedure that we use to model an experimentally relevant 270-atom Fe 182 C 88 NP using the neural network-assisted stochastic surface walk global optimization algorithm (SSW-NN). Once generated, the Fe 182 C 88 NP active sites and particle morphology are thoroughly characterized before the effects of syngas adsorbate interactions are explored by using DFT and molecular dynamics simulations. Lastly, we explore correlations between geometric and electronic features of the active sites and the adsorption of H (H ads ), using a regularized random forest machine learning algorithm. In doing so, we identified the Fe–C coordination number and p orbital occupancy as the most important descriptors affecting H ads . Furthermore, using a combined ML and quantum chemistry approach, our work demonstrates a general and efficient procedure for generating and probing complex surface phenomena on binary nanoparticles.

Adsorption↗
DOE OSTI2024

Detectability of QCD phase transitions in binary neutron star mergers: Bayesian inference with the next generation gravitational wave detectors

We study the detectability of postmerger QCD phase transitions in neutron star binaries with next-generation gravitational-wave detectors Cosmic Explorer and Einstein Telescope. We perform numerical relativity simulations of neutron star mergers with equations of state that include a quark deconfinement phase transition through either a Gibbs or Maxwell construction. These are followed by Bayesian parameter estimation of the associated gravitational-wave signals using the nrpmw waveform model, with priors inferred from the analysis of the inspiral signal. We assess the ability of the model to measure the postmerger peak frequency $f$$^{peak}_{2}$ and identify aspects that should be improved in the model. We show that, even at postmerger signal to noise ratios as low as 10, the model can distinguish (at the 90% level) $f$$^{peak}_{2}$ between binaries with and without a phase transition in most cases. Phase-transition induced deviations in the $f$$^{peak}_{2}$ from the predictions of equation-of-state insensitive relations can also be detected if they exceed 1.6⁢σ. Our results suggest that next-generation gravitational wave detectors can measure phase transition effects in binary neutron star mergers. Furthermore, unless the phase transition is “strong,” disentangling it from other hadronic physics uncertainties will require significant theory improvements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

A Simulator for Neyer Tests of Explosives

Explosives and explosive devices such as detonators are typically tested by applying a range of stimuli such as voltage or mechanical shock, and recording binary “detonated/did not detonate” responses. These are analyzed using maximum likelihood or generalized linear models to provide estimates of quantities such as the all-fire and no-fire points. Given that the true threshold for detonation is unknown a priori , sequential design methods are typically used to optimize the set of test points. One popular method, implemented in commercial software, is Neyer’s algorithm. To support simulation and experimental design, we have developed code in the R programming language to duplicate the functions of the Neyer software. We provide code for the simulator along with a description and examples of usage.

42 ENGINEERING↗
NASA NTRS1985

Experimental determination of systems suitable for study as monotectic binary metallic alloy solidification models

Transparent binary metallic alloy solidification models are important in attempts to understand the processes causing liquid-liquid and solid-liquid phase transformations in metallic alloy systems. These models permit visual observation of the phase transformation and the processes proceding solidification. The number of these transparent monotectic binary models needs to be expanded to distinguish between the unique and general phenomena observed. The expansion of the number of accurately determined monotectic phase diagrams of model systems, and contribution to a data base for eventual use with UNIFAC group contribution methods is examined.

Smith, J. E., Jr.↗
NASA NTRS1992

The onset of galactic winds in early-type galaxies

We completed the spectral analysis of 31 early-type galaxies to investigate whether their x-ray emission was predominantly due to thermal bremsstrahlung from a hot gaseous corona or emission from discrete, galactic sources such as x-ray binaries. If a corona dominates the x-ray emission, its spectra is expected to be relatively cool (0.5 - 1 keV) compared to the harder emission associated with x-ray binaries in our galaxy, the Magellanic Clouds and M31. While it is generally accepted that the x-ray emission in luminous E and S0 galaxies arises from hot coronae, the status of hot gas in lower luminosity (and hence lower mass) galaxies is less clear. Calculations show that, for a given supernova rate, a critical galaxy luminosity (mass) exists below which the gas cannot be gravitationally confined and a galactic wind is predicted to be effective in expelling gas from the galaxy. Since significant mass (a dark halo) is required to hold a hot, gaseous corona around a galaxy, we expect that the faintest, smallest galaxies will not have a hot corona, but their x-ray emission will be dominated by galactic sources or by an active galactic nuclei. In the sample we tested which spanned the absolute magnitude range from -21.5 to -19.5, we found that except for two galaxies whose x-ray emission was dominated by an active nucleus, that the others were consistent with emission from hot gas. We also found that there is a correlation between gas temperature and galaxy magnitude (mass), such that the brighter, more luminous galaxies have hotter gas temperatures. Thus even at relatively faint magnitudes, the dominant emission from early-type galaxies appears to be hot gas. We also carried out an investigation of the x-ray surface brightness distribution of the x-ray emission for about 100 early type galaxies to determine whether the x-ray emission from galaxies are extended. Extended x-ray emission is expected if the emission is due to a hot gaseous corona. We determined the ratio of the source counts in two annuli (0-80 arc seconds and 80-160 arc seconds) for each galaxy and analyzed these ratios using a maximum likelihood estimator to determine the errors on the ratios. Even for weak sources, this ratio provides a sensitive test for source extent. We then compared these ratios to a sample of quasars (all unresolved sources) and have determined which galaxies are extended and which are consistent with point sources. A first paper including the Einstein x-ray fluxes for 147 early-type galaxies has been published in the Astrophysical Journal Supplement Series (with Roberts, Hogg, Bregman, Forman entitled 'Interstellar Matter in Early-Type Galaxies'). A second paper will describe the spectral and extent analysis carried out for this galaxy sample. These results also have been presented at scientific conferences and in colloquia.

Jones, Christine↗
NASA NTRS1994

Shear stabilization of solidification fronts

A linear-stability analysis is performed on the interface formed during the directional solidification of a dilute binary alloy in the presence of a time-periodic flow. In general, the flow is generated by the elliptical motion of the crystal parallel to the interface. The presence of the flow can either stabilize or destabilize the system relative to the case without flow with the result depending on the frequency and amplitude of the oscillations as well as the properties of the material. In the particular, we find that the morphological instability present in the absence of flow can be entirely suppressed with respect to disturbances of the same frequency as the oscillation.

Davis, Stephen H.↗
NASA NTRS2005

Performance Analysis of Direct-Sequence Code-Division Multiple-Access Communications with Asymmetric Quadrature Phase-Shift-Keying Modulation

This article considers a quaternary direct-sequence code-division multiple-access (DS-CDMA) communication system with asymmetric quadrature phase-shift-keying (AQPSK) modulation for unequal error protection (UEP) capability. Both time synchronous and asynchronous cases are investigated. An expression for the probability distribution of the multiple-access interference is derived. The exact bit-error performance and the approximate performance using a Gaussian approximation and random signature sequences are evaluated by extending the techniques used for uniform quadrature phase-shift-keying (QPSK) and binary phase-shift-keying (BPSK) DS-CDMA systems. Finally, a general system model with unequal user power and the near-far problem is considered and analyzed. The results show that, for a system with UEP capability, the less protected data bits are more sensitive to the near-far effect that occurs in a multiple-access environment than are the more protected bits.

Wang, C.-W.↗
NASA NTRS2017

The Stochastic X-Ray Variability of the Accreting Millisecond Pulsar MAXI J0911-655

In this work, I report on the stochastic X-ray variability of the 340 hertz accreting millisecond pulsar MAXI J0911-655. Analyzing pointed observations of the XMM-Newton and NuSTAR observatories, I find that the source shows broad band-limited stochastic variability in the 0.01-10 hertz range with a total fractional variability of approximately 24 percent root mean square timing residuals in the 0.4 to 3 kiloelectronvolt energy band that increases to approximately 40 percent root mean square timing residuals in the 3 to 10 kiloelectronvolt band. Additionally, a pair of harmonically related quasi-periodic oscillations (QPOs) are discovered. The fundamental frequency of this harmonic pair is observed between frequencies of 62 and 146 megahertz. Like the band-limited noise, the amplitudes of the QPOs show a steep increase as a function of energy; this suggests that they share a similar origin, likely the inner accretion flow. Based on their energy dependence and frequency relation with respect to the noise terms, the QPOs are identified as low-frequency oscillations and discussed in terms of the Lense-Thirring precession model.

ulsars: general { stars: neutron { X-rays: binarie↗
NASA NTRS1994

Equilibrium, stability, and orbital evolution of close binary systems

We present a new analytic study of the equilibrium and stability properties of close binary systems containing polytropic components. Our method is based on the use of ellipsoidal trial functions in an energy variational principle. We consider both synchronized and nonsynchronized systems, constructing the compressible generalizations of the classical Darwin and Darwin-Riemann configurations. Our method can be applied to a wide variety of binary models where the stellar masses, radii, spins, entropies, and polytropic indices are all allowed to vary over wide ranges and independently for each component. We find that both secular and dynamical instabilities can develop before a Roche limit or contact is reached along a sequence of models with decreasing binary separation. High incompressibility always makes a given binary system more susceptible to these instabilities, but the dependence on the mass ratio is more complicated. As simple applications, we construct models of double degenerate systems and of low-mass main-sequence star binaries. We also discuss the orbital evoltuion of close binary systems under the combined influence of fluid viscosity and secular angular momentum losses from processes like gravitational radiation. We show that the existence of global fluid instabilities can have a profound effect on the terminal evolution of coalescing binaries. The validity of our analytic solutions is examined by means of detailed comparisons with the results of recent numerical fluid calculations in three dimensions.

Lai, Dong↗
DOE OSTI2023

On the Thermodynamic Condition for Adsorption Azeotropes

Adsorption azeotropy is a common phenomenon in mixed-gas adsorption equilibria. Since the first literature report of binary adsorption azeotropes in 1933, numerous studies investigated the thermodynamic conditions for adsorption azeotropes but failed to reach definitive conclusions. Based on the generalized Langmuir isotherm model for multicomponent adsorption equilibria which takes into account the vacant site as part of the adsorbed phase, this study presents the thermodynamic condition for adsorption azeotropes as derived from the generalized Langmuir isotherm to be the equality of the ratios of adsorbed phase activity coefficient γi and adsorption equilibrium constant $K$$^{o}_{i}$ for the two adsorbates in the binary 1–2 adsorption system, i.e., γ 1 /$K$$^{o}_{1}$ = γ 2 /$K$$^{o}_{2}$. This adsorption azeotropic condition is analogous to the vapor–liquid equilibrium azeotropic condition, i.e., the equality of the products of liquid phase activity coefficient and saturation vapor pressure Pisat for the two components, i.e., γ 1 $P$$^{sat}_{1}$ = γ 2 $P$$^{sat}_{2}$. We validated the thermodynamic condition for adsorption azeotropes with 14 azeotrope-forming adsorption systems in this study. As a result, we investigated the effects of the pressure, temperature, and adsorbed phase nonideality on azeotrope formation.

42 ENGINEERING↗
DOE OSTI2025

2D end-to-end modelling of kilonovae from binary neutron star merger remnants

We investigate the kilonova emission resulting from outflows produced in a 3D general-relativistic magnetohydrodynamic (GRMHD) simulation of a hypermassive neutron star (HMNS) remnant. We map the outflows into the flash hydrodynamics code to model their expansion in axisymmetry, and study the effects of employing different r-process heating rates. Except for the highest heating rate prescription, we find no significant differences with respect to overall ejecta dynamics and morphology compared to the simulation without heating. Once homologous expansion is attained, typically after ~2s for these ejecta, we map the outflows to the sedona radiative transfer code and compute the spectral evolution of the kilonova and broad-band light curves in various Legacy Survey of Space and Time (LSST) bands. The kilonova properties depend on the remnant lifetime, with peak luminosities and peak time-scales increasing for longer lived remnants that produce more massive ejecta. For all models, there is a strong dependence of both the bolometric and broad-band light curves on the viewing angle. While the short-lived (12 ms) remnant produces higher luminosities when viewed from angles closer to the pole, longer lived remnants (240 ms and 2.5 s) are more luminous when viewed from angles closer to the equator. Our results highlight the importance of self-consistent, long-term modelling of merger ejecta, and taking viewing-angle dependence into account when interpreting observed kilonova light curves. We find that magnetized outflows from an HMNS – if it survives long enough – could explain blue kilonovae, such as the blue emission seen in AT2017gfo.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1975

Langevin equation with stochastic damping - Possible application to critical binary fluid

We solve the familiar Langevin equation with stochastic damping to represent the motion of a Brownian particle in a fluctuating medium. A connection between the damping and the random driving forces is proposed which preserves quite generally the Einstein relation between the diffusion and mobility coefficients. We present an application to the case of a Brownian particle in a critical binary mixture.

Jasnow, D.↗
NASA NTRS1993

On the optimum bit orders with respect to the state complexity of trellis diagrams for binary linear codes

It was shown earlier that for a punctured Reed-Muller (RM) code or a primitive BCH code, which contains a punctured RM code of the same minimum distance as a large subcode, the state complexity of the minimal trellis diagram is much greater than that for an equivalent code obtained by a proper permutation on the bit positions. To find a permutation on the bit positions for a given code that minimizes the state complexity of its minimal trellis diagram is an interesting and challenging problem. This permutation problem is related to the generalized Hamming weight hierarchy of a code, and is shown that for RM codes, the standard binary order of bit positions is optimum at every bit position with respect to the state complexity of a minimal trellis diagram by using a theorem due to Wei. The state complexity of trellis diagram for the extended and permuted (64, 24) BCH code is discussed.

Kasami, Tadao↗
DOE OSTI2023

Noise dynamics of quantum annealers: estimating the effective noise using idle qubits

Quantum annealing is a type of analog computation that aims to use quantum mechanical fluctuations in search of optimal solutions of QUBO (quadratic unconstrained binary optimization) or, equivalently, Ising problems. Since NP-hard problems can in general be mapped to Ising and QUBO formulations, the quantum annealing paradigm has the potential to help solve various NP-hard problems. Current quantum annealers, such as those manufactured by D-Wave Systems, Inc. have various practical limitations including the size (number of qubits) of the problem that can be solved, the qubit connectivity, and error due to the environment or system calibration, which can reduce the quality of the solutions. Typically, for an arbitrary problem instance, the corresponding QUBO (or Ising) structure will not natively embed onto the available qubit architecture on the quantum chip. Thus, in these cases, a minor embedding of the problem structure onto the device is necessary. However, minor embeddings on these devices do not always make use of the full sparse chip hardware graph, and a large portion of the available qubits stay unused during quantum annealing. In this work, we embed a disjoint random QUBO on the unused parts of the chip alongside the QUBO to be solved, which acts as an indicator of the solution quality of the device over time. Using experiments on three different D-Wave quantum annealers, we demonstrate that (i) long term trends in solution quality exist on the D-Wave device, and (ii) the unused qubits can be used to measure the current level of noise of the quantum system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

r -process nucleosynthesis and kilonovae from hypermassive neutron star post-merger remnants

ABSTRACT We investigate r-process nucleosynthesis and kilonova emission resulting from binary neutron star (BNS) mergers based on a three-dimensional (3D) general-relativistic magnetohydrodynamic (GRMHD) simulation of a hypermassive neutron star (HMNS) remnant. The simulation includes a microphysical finite-temperature equation of state (EOS) and neutrino emission and absorption effects via a leakage scheme. We track the thermodynamic properties of the ejecta using Lagrangian tracer particles and determine its composition using the nuclear reaction network SkyNet. We investigate the impact of neutrinos on the nucleosynthetic yields by varying the neutrino luminosities during post-processing. The ejecta show a broad distribution with respect to their electron fraction Ye, peaking between ∼0.25–0.4 depending on the neutrino luminosity employed. We find that the resulting r-process abundance patterns differ from solar, with no significant production of material beyond the second r-process peak when using luminosities recorded by the tracer particles. We also map the HMNS outflows to the radiation hydrodynamics code SNEC and predict the evolution of the bolometric luminosity as well as broadband light curves of the kilonova. The bolometric light curve peaks on the timescale of a day and the brightest emission is seen in the infrared bands. This is the first direct calculation of the r-process yields and kilonova signal expected from HMNS winds based on 3D GRMHD simulations. For longer-lived remnants, these winds may be the dominant ejecta component producing the kilonova emission.

79 ASTRONOMY AND ASTROPHYSICS↗