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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A conservative Galerkin solver for the quasilinear diffusion model in magnetized plasmas

We propose a conservative Galerkin scheme for the quasilinear model in three-dimensional momentum space and three-dimensional spectral space, with cylindrical symmetry. We construct an unconditionally conservative weak form and use a discretization that preserves conservation properties independent of the wave emission probability. The discrete operators, combined with a consistent quadrature rule, preserve all the conservation laws rigorously. The proposed scheme is quite general: it works for both relativistic and non-relativistic systems, for both magnetized and unmagnetized plasmas, and even for problems with time-dependent dispersion relations. We represent the particle distribution by continuous basis functions and use discontinuous basis functions for the wave spectral energy density, which enables the application of a positivity-preserving technique. We adopt the marching simplex algorithm, designed initially for computer graphics, for numerical integration on the resonance manifold. Furthermore, the numerical examples with a bump-on-tail initial configuration show how the unstable waves produce strong momentum space diffusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Growth of tungsten nanoparticles in direct-current argon glow discharges

The growth of nanoparticles from the sputtering of a tungsten cathode in DC argon glow discharges is reported. The study was performed at fixed argon pressure and constant discharge current. The growth by successive agglomerations is evidenced. First, tungsten nanocrystallites agglomerate into primary particles, the most probable size of which being {approx}30 nm. Primary particles of this size are observed for all plasma durations and always remain the most numerous in the discharge. Primary particles quickly agglomerate to form particles with size up to {approx}150 nm. For short plasma duration, log-normal functions describe accurately the dust particle size distributions. On the contrary, for long discharge durations, a second hump appears in the distributions toward large particle sizes. In the meantime, the discharge voltage, electron density, and emission line intensities strongly evolve. Their evolutions can be divided in four separate phases and exhibit unusual distinctive features compared to earlier observations in discharges in which particles were growing. The evolution of the different parameters is explained by a competition between the surface state of the tungsten cathode and the influence of the growing nanoparticles. The differences with sputtering glow discharges and chemically active plasmas suggest that the nanoparticle growth and its influence on discharge parameters is system and material dependent.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Electron detachment from negative ions in a short laser pulse

We present an efficient and accurate method to study electron detachment from negative ions by a few-cycle linearly polarized laser pulse. The adiabatic saddle-point method of Gribakin and Kuchiev [Phys. Rev. A 55, 3760 (1997)] is adapted to calculate the transition amplitude for a short laser pulse. Its application to a pulse with N optical cycles produces 2(N+1) saddle points in complex time, which form a characteristic 'smile.' Numerical calculations are performed for H{sup -} in a 5-cycle pulse with frequency 0.0043 a.u. and intensities of 10{sup 10}, 5x10{sup 10}, and 10{sup 11} W/cm{sup 2}, and for various carrier-envelope phases. We determine the spectrum of the photoelectrons as a function of both energy and emission angle, as well as the angle-integrated energy spectra and total detachment probabilities. Our calculations show that the dominant contribution to the transition amplitude is given by 5-6 central saddle points, which correspond to the strongest part of the pulse. We examine the dependence of the photoelectron angular distributions on the carrier-envelope phase and show that measuring such distributions can provide a way of determining this phase.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

All-sky search for short gravitational-wave bursts in the second Advanced LIGO and Advanced Virgo run

Here, we present the results of a search for short-duration gravitational-wave transients in the data from the second observing run of Advanced LIGO and Advanced Virgo. We search for gravitational-wave transients with a duration of milliseconds to approximately one second in the 32-4096 Hz frequency band with minimal assumptions about the signal properties, thus targeting a wide variety of sources. We also perform a matched-filter search for gravitational-wave transients from cosmic string cusps for which the waveform is well-modeled. The unmodeled search detected gravitational waves from several binary black hole mergers which have been identified by previous analyses. No other significant events have been found by either the unmodeled search or the cosmic string search. We thus present search sensitivity for a variety of signal waveforms and report upper limits on the source rate-density as function of the characteristic frequency of the signal. These upper limits are a factor of three lower than the first observing run, with a $50\%$ detection probability for gravitational-wave emissions with energies of $\sim10^{-9}M_\odot c^2$ at 153 Hz. For the search dedicated to cosmic string cusps we consider several loop distribution models, and present updated constraints from the same search done in the first observing run.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Modeling dark photon oscillations in our inhomogeneous Universe

Not provided.A dark photon may kinetically mix with the Standard Model photon, leading to observable cosmological signatures. The mixing is resonantly enhanced when the dark photon mass matches the primordial plasma frequency, which depends sensitively on the underlying spatial distribution of electrons. Crucially, inhomogeneities in this distribution can have a significant impact on the nature of resonant conversions. We develop and describe, for the first time, a general analytic formalism to treat resonant oscillations in the presence of inhomogeneities. Our formalism follows from the theory of level crossings of random fields and only requires knowledge of the one-point probability density function (PDF) of the underlying electron number density fluctuations. We validate our formalism using simulations and illustrate the photon-to-dark photon conversion probability for several different choices of PDFs that are used to characterize the low-redshift Universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

STELLAR POPULATIONS IN THE CENTRAL 0.5 pc OF THE GALAXY. I. A NEW METHOD FOR CONSTRUCTING LUMINOSITY FUNCTIONS AND SURFACE-DENSITY PROFILES

We present new high angular resolution near-infrared spectroscopic observations of the nuclear star cluster surrounding the Milky Way's central supermassive black hole. Using the integral-field spectrograph OSIRIS on Keck II behind the laser-guide-star adaptive optics system, this spectroscopic survey enables us to separate early-type (young, 4-6 Myr) and late-type (old, >1 Gyr) stars with a completeness of 50% down to K' = 15.5 mag, which corresponds to {approx}10 M {sub Sun} for the early-type stars. This work increases the radial extent of reported OSIRIS/Keck measurements by more than a factor of three from 4'' to 14'' (0.16 to 0.56 pc), along the projected disk of young stars. For our analysis, we implement a new method of completeness correction using a combination of star-planting simulations and Bayesian inference. We assign probabilities for the spectral type of every source detected in deep imaging down to K' = 15.5 mag using information from spectra, simulations, number counts, and the distribution of stars. The inferred radial surface-density profiles, {Sigma}(R){proportional_to}R {sup -{Gamma}}, for the young stars and late-type giants are consistent with earlier results ({Gamma}{sub early} = 0.93 {+-} 0.09, {Gamma}{sub late} = 0.16 {+-} 0.07). The late-type surface-density profile is approximately flat out to the edge of the survey. While the late-type stellar luminosity function is consistent with the Galactic bulge, the completeness-corrected luminosity function of the early-type stars has significantly more young stars at faint magnitudes compared with previous surveys with similar depth. This luminosity function indicates that the corresponding mass function of the young stars is likely less top-heavy than that inferred from previous surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Spatial analysis of cell patterning to aid genetic and phenotypic understanding of grass stomatal density: A case study in maize

Biological processes involve complex hierarchies where composite traits result from multiple component traits. However, holistically understanding of how sets of component traits interact to underpin genotype-to-phenotype relationships is generally lacking. Stomatal density (SD) is a tractable model system for exploring how high-throughput phenotyping (HTP) data could be exploited by a new spatial analysis approach to better understand a developmentally and functionally important trait. SD is a composite trait, resulting from various components related to cell identity and size, which are themselves governed by a series of spatio-developmental processes. Data from 192 recombinant inbred lines of maize [Zea mays (L.)] were analyzed by a new stomatal patterning phenotype (SPP) to (1) describe the average spatial probability distribution of the nearest neighboring stomata; (2) derive a core set of component traits related to cell size, cell packing, and positional probabilities; (3) build a structural equation model of component traits underlying SD; and (4) identify stomatal patterning quantitative trait loci (QTL). The core set of SPP-derived traits explained 74% of the variation in SD. Analyzing SPP component traits allowed some loci previously identified as generic SD QTL to be recognized as specific to lateral versus longitudinal elements of stomatal patterning. Therefore, this study highlights how novel insights can be gained by decomposing a composite trait (e.g., SD) into a set of component traits that were present in HTP data but not previously exploited.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Evaluation of probability density function descriptions for three-component Rayleigh–Taylor mixing

Results from simulations of a three-component Rayleigh–Taylor (RT) mixing problem are presented. These simulations are conducted in heavy–light–heavy and heavy–intermediate–light configurations, and each of these configurations are further considered in high- and low-Reynolds-number regimes. This results in RT-unstable flow with one or both interfaces initially unstable, permitting the influence of problem configuration on the statistical description of three-component RT-driven mixing to be considered. Mass fraction covariances are observed to undergo a sign change through the mixing layer in all four configurations considered. This appears to be unique to the multi-component case and represents another way in which multi-component RT mixing differs from the two-component case. Qualitative and quantitative comparisons of joint and marginal probability density function (PDF) descriptions of species concentration are made. Three-, five-, and six-parameter model PDFs are compared against simulation data to assess how accurately they describe the mixing, and it is found that three-component mixing requires at least a five-parameter model PDF to accurately describe the mixing. Notably, the marginal distributions of three-component mixing do not appear to conform to a beta distribution, representing a departure from the classical two-component RT case. In conclusion, statistical neutrality also appears to influence the optimal choice of model PDF, which is found to be a function of problem configuration.

Large-eddy simulation↗
DOE OSTI2016

Experimental and theoretical study of rotationally inelastic diffraction of H{sub 2}(D{sub 2}) from methyl-terminated Si(111)

Fundamental details concerning the interaction between H{sub 2} and CH{sub 3}–Si(111) have been elucidated by the combination of diffractive scattering experiments and electronic structure and scattering calculations. Rotationally inelastic diffraction (RID) of H{sub 2} and D{sub 2} from this model hydrocarbon-decorated semiconductor interface has been confirmed for the first time via both time-of-flight and diffraction measurements, with modest j = 0 → 2 RID intensities for H{sub 2} compared to the strong RID features observed for D{sub 2} over a large range of kinematic scattering conditions along two high-symmetry azimuthal directions. The Debye-Waller model was applied to the thermal attenuation of diffraction peaks, allowing for precise determination of the RID probabilities by accounting for incoherent motion of the CH{sub 3}–Si(111) surface atoms. The probabilities of rotationally inelastic diffraction of H{sub 2} and D{sub 2} have been quantitatively evaluated as a function of beam energy and scattering angle, and have been compared with complementary electronic structure and scattering calculations to provide insight into the interaction potential between H{sub 2} (D{sub 2}) and hence the surface charge density distribution. Specifically, a six-dimensional potential energy surface (PES), describing the electronic structure of the H{sub 2}(D{sub 2})/CH{sub 3}−Si(111) system, has been computed based on interpolation of density functional theory energies. Quantum and classical dynamics simulations have allowed for an assessment of the accuracy of the PES, and subsequently for identification of the features of the PES that serve as classical turning points. A close scrutiny of the PES reveals the highly anisotropic character of the interaction potential at these turning points. This combination of experiment and theory provides new and important details about the interaction of H{sub 2} with a hybrid organic-semiconductor interface, which can be used to further investigate energy flow in technologically relevant systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

GEOMETRIC AND DYNAMICAL MODELS OF REVERBERATION MAPPING DATA

We present a general method to analyze reverberation (or echo) mapping data that simultaneously provides estimates for the black hole mass and for the geometry and dynamics of the broad-line region (BLR) in active galactic nuclei (AGNs). While previous methods yield a typical scale size of the BLR or a reconstruction of the transfer function, our method directly infers the spatial and velocity distribution of the BLR from the data, from which a transfer function can be easily derived. Previous echo mapping analysis requires an independent estimate of a scaling factor known as the virial coefficient to infer the mass of the black hole, but this is not needed in our more direct approach. We use the formalism of Bayesian probability theory and implement a Markov Chain Monte Carlo algorithm to obtain estimates and uncertainties for the parameters of our BLR models. Fitting of models to the data requires knowledge of the continuum flux at all times, not just the measured times. We use Gaussian Processes to interpolate and extrapolate the continuum light curve data in a fully consistent probabilistic manner, taking the associated errors into account. We illustrate our method using simple models of BLR geometry and dynamics and show that we can recover the parameter values of our test systems with realistic uncertainties that depend upon the variability of the AGN and the quality of the reverberation mapping observing campaign. With a geometry model we can recover the mean radius of the BLR to within {approx}0.1 dex random uncertainty for simulated data with an integrated line flux uncertainty of 1.5%, while with a dynamical model we can recover the black hole mass and the mean radius to within {approx}0.05 dex random uncertainty, for simulated data with a line profile average signal-to-noise ratio of 4 per spectral pixel. These uncertainties do not include modeling errors, which are likely to be present in the analysis of real data, and should therefore be considered as lower limits to the accuracy of the method.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE Pa{alpha} LUMINOSITY FUNCTION OF H II REGIONS IN NEARBY GALAXIES FROM HST/NICMOS

The H II region luminosity function (LF) is an important tool for deriving the birthrates and mass distribution of OB associations and is an excellent tracer of the newly formed massive stars and associations. To date, extensive work (predominantly in H{alpha}) has been done from the ground, which is hindered by dust extinction and the severe blending of adjacent (spatially or in projection) H II regions. Reliably measuring the properties of H II regions requires a linear resolution <40 pc, but analyses satisfying this requirement have been done only in a handful of galaxies, so far. As the first space-based work using a galaxy sample, we have selected 12 galaxies from our HST/NICMOS Pa{alpha} survey and studied the LF and size distribution of H II regions both in individual galaxies and cumulatively, using a virtually extinction-free tracer of the ionizing photon rate. The high angular resolution and low sensitivity to diffuse emission of NICMOS also offer an advantage over ground-based imaging by enabling a higher degree of de-blending of the H II regions. We do not confirm the broken power-law LFs found in ground-based studies. Instead, we find that the LFs, both individual and co-added, follow a single power law dN(L)/dln L{proportional_to}L {sup -1}, are consistent with the mass function of star clusters in nearby galaxies, and are in agreement with the results of the existing analyses with Hubble Space Telescope (HST) data. The individual and co-added size distributions of H II regions are both roughly consistent with dN(D)/dln D{proportional_to}D {sup -3}, but the power-law scaling is probably contaminated by blended regions or complexes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

TU-F-17A-05: Calculating Tumor Trajectory and Dose-Of-The-Day for Highly Mobile Tumors Using Cone-Beam CT Projections

Purpose: Cone-beam CT (CBCT) projection images provide anatomical data in real-time over several respiratory cycles, forming a comprehensive picture of tumor movement. We developed a method using these projections to determine the trajectory and dose of highly mobile tumors during each fraction of treatment. Methods: CBCT images of a respiration phantom were acquired, where the trajectory mimicked a lung tumor with high amplitude (2.4 cm) and hysteresis. A template-matching algorithm was used to identify the location of a steel BB in each projection. A Gaussian probability density function for tumor position was calculated which best fit the observed trajectory of the BB in the imager geometry. Two methods to improve the accuracy of tumor track reconstruction were investigated: first, using respiratory phase information to refine the trajectory estimation, and second, using the Monte Carlo method to sample the estimated Gaussian tumor position distribution. 15 clinically-drawn abdominal/lung CTV volumes were used to evaluate the accuracy of the proposed methods by comparing the known and calculated BB trajectories. Results: With all methods, the mean position of the BB was determined with accuracy better than 0.1 mm, and root-mean-square (RMS) trajectory errors were lower than 5% of marker amplitude. Use of respiratory phase information decreased RMS errors by 30%, and decreased the fraction of large errors (>3 mm) by half. Mean dose to the clinical volumes was calculated with an average error of 0.1% and average absolute error of 0.3%. Dosimetric parameters D90/D95 were determined within 0.5% of maximum dose. Monte-Carlo sampling increased RMS trajectory and dosimetric errors slightly, but prevented over-estimation of dose in trajectories with high noise. Conclusions: Tumor trajectory and dose-of-the-day were accurately calculated using CBCT projections. This technique provides a widely-available method to evaluate highly-mobile tumors, and could facilitate better strategies to mitigate or compensate for motion during SBRT.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Host-Directed Antimicrobial Drugs with Broad-Spectrum Efficacy against Intracellular Bacterial Pathogens

We sought a new approach to treating infections by intracellular bacteria, namely, by altering host cell functions that support their growth. We screened a library of 640 Food and Drug Administration (FDA)-approved compounds for agents that render THP-1 cells resistant to infection by four intracellular pathogens. We identified numerous drugs that are not antibiotics but were highly effective in inhibiting intracellular bacterial growth with limited toxicity to host cells. These compounds are likely to target three kinds of host functions: (i) G protein-coupled receptors, (ii) intracellular calcium signals, and (iii) membrane cholesterol distribution. The compounds that targeted G protein receptor signaling and calcium fluxes broadly inhibited Coxiella burnetii, Legionella pneumophila, Brucella abortus, and Rickettsia conorii, while those directed against cholesterol traffic strongly attenuated the intracellular growth of C. burnetii and L. pneumophila. These pathways probably support intracellular pathogen growth so that drugs that perturb them may be therapeutic candidates. Combining host- and pathogen-directed treatments is a strategy to decrease the emergence of drug-resistant intracellular bacterial pathogens.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Bayesian inference for the seismic moment tensor using regional waveforms and a data-derived distribution of velocity models

The largest source of uncertainty in any source inversion is the velocity model used to construct the transfer function employed in the forward model that relates observed ground motion to the seismic moment tensor. However, standard inverse procedures often does not quantify uncertainty in the seismic moment tensor due to error in the Green’s functions from uncertain event location and Earth structure. We attempt to incorporate this uncertainty into an estimation of the seismic moment tensor using a distribution of velocity models calculated in a prior effort based on different and complementary data sets. The posterior distribution of velocity models is then used to construct Green’s functions for use in Bayesian inference of an unknown seismic moment tensor using regional waveform data. The combined likelihood is estimated using data-specific error models and the posterior of the seismic moment tensor is estimated and can be interpreted in terms of most-probable source-type.

58 GEOSCIENCES↗
DOE OSTI2012

Molecular Dynamic Simulations of the Effect on the Hydration of Nafion in the Presence of a Platinum Nanoparticle

Platinum catalysts play a critical role in fuel cell technology. Current optimization efforts focus on reducing the amount of Pt in the system and optimizing the utilization of that which remains. The effect of the presence of Pt nanoparticles on the local structure and morphology of the polymer electrolyte membrane, water, and hydronium ions has been studied at molecular level in this work. Classical molecular dynamics simulation has been used to examine a system containing a 4 nm fcc cubic ({100} face) platinum nanoparticle at the center surrounded by Nafion polymer, water molecules, and hydronium ions at λ = 3, 6, 9, 15, and 22. The changes in density and orientation distribution of sulfonic acid groups in the side-chains, water, and hydronium as a function of distance from platinum surface are analyzed in this study. Sulfonic acid groups and hydronium ions show a very high increase in density near the platinum surface, and they approach the bulk value as they move away from the platinum surface. At lower water contents (λ = 3 and 6), water is strongly attracted to platinum surface, increasing the density near the platinum surface. However, at the highest humidity level studied, the density of water farthest from the platinum surface (>20 Å) is higher than the bulk value and the density of water nearest to the platinum surface. The above observed phenomenon is explained using the probability distribution of orientation computed at various distances from platinum surface. As the water content increases, sulfonic acid groups show a preferential orientation for the side-chains to align themselves horizontally on the platinum than vertically, thereby covering a larger area of platinum and pushing the water away from the platinum surface. This causes the water density to drop near the platinum surface. Water molecules and hydronium ions show preference to certain orientations near the platinum surface, but usually to none as they move away from the platinum surface.

Chemistry↗
DOE OSTI2022

Composite Power System Reliability with Renewables and Customer Flexibility

Composite Power System Reliability is defined as the computational procedure that quantifies the probability that the power system will perform the function of delivering electric power to customers adequately, on a continuous basis and with an acceptable quality. This definition leaves many details undefined and exemplifies the ambiguity in reliability analysis. The increasing deployment of wind and PV creates additional uncertainties that make reliability analysis a rather complex issue. Because of increased uncertainty the need for composite reliability analysis and utilization of results in power system planning is critical. New approaches are emerging for dealing with these problems from the operational point of view, including demand response programs, tapping on customer and distributed resource flexibility and new control approaches. The key question to be addressed is: how the new operational paradigms affect composite power system reliability. Here, this paper presents the ongoing work of the IEEE Composite System Reliability Task Force of the IEEE PES Reliability, Risk, Probability Application (RRPA) Subcommittee.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

A state estimation approach based on stochastic expansions

This paper presents a new approach for state estimation problems. It is based on the representation of random variables using stochastic functions. Its main idea is to expand the state variables in terms of the noise variables of the system, and then estimate the unnoisy value of the state variables by taking the mean value of the stochastic expansion. Moreover, it was shown that in some situations, the proposed approach may be adapted to the determination of the probability distribution of the state noise. For the determination of the coefficients of the expansions, we present three approaches: moment matching (MM), collocation (COL) and variational (VAR). In the numerical analysis section, three examples are analyzed including a discrete linear system, the Influenza in a boarding school and the state estimation problem in the Hodgkin–Huxley’s model. In all these examples, the proposed approach was able to estimate the values of the state variables with precision, i.e., with very low RMS values.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Inhomogeneous linewidth broadening and radiative lifetime dispersion of size dependent direct bandgap radiation in Si quantum dot

The SiO{sub x} (SiO{sub x}:Si-QDs) with buried Si quantum dots (Si-QDs) is synthesized by plasma-enhanced chemical vapor deposition (PECVD), and the size-dependent wave-function of Si-QDs embedded in Si-rich SiO{sub 2} matrix is experimentally and theoretically analyzed to reformulate its bandgap energy as E{sub g}(d) = 1.12+5.83/d{sup 1.78}. The photoluminescent lifetime of Si-QDs is dominated by the non-phonon assisted radiative recombination. Shrinking the Si-QD size from 4.3 to 1.9 nm increases the overlapping probability of electron-hole wave-functions in Si-QD to shorten the non-phonon assisted radiative lifetime from 6.3 {mu}s to 83 ns. Fitting the time-resolved photoluminescence trace with a stretched exponential decay function reveals a lifetime dispersion factor. The lifetime dispersion greatly reduced from 0.8 to 0.39 by enlarging the size distribution of Si-QDs from 0.2 to 1.1 nm, which elucidates the inhomogeneous linewidth broadening feature of Si-QDs. Based on the simulation of non-phonon assisted recombination process, the full-band stretched exponential decay analysis confirms the correlation between inhomogeneous linewidth broadening and lifetime dispersion in Si-QDs.

36 MATERIALS SCIENCE↗