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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Measurement of the Cosmic Microwave Background B-mode Polarization Power Spectrum at Subdegree Scales from Two Years of polarbear Data

We report an improved measurement of the cosmic microwave background B-mode polarization power spectrum with the Polarbear experiment at 150 GHz. By adding new data collected during the second season of observations (2013–2014) to re-analyzed data from the first season (2012–2013), we have reduced twofold the band-power uncertainties. The band powers are reported over angular multipoles 500⩽ℓ⩽2100, where the dominant B-mode signal is expected to be due to the gravitational lensing of E-modes. We reject the null hypothesis of no B-mode polarization at a confidence of 3.1σ including both statistical and systematic uncertainties. We test the consistency of the measured B-modes with the Λ Cold Dark Matter (ΛCDM) framework by fitting for a single lensing amplitude parameter A {sub L} relative to the Planck 2015 best-fit model prediction. We obtain A{sub L}=0.60{sub −0.24}{sup +0.26}(stat){sub −0.04}{sup +0.00}(inst) ± 0.14(foreground) ± 0.04(multi), where A{sub L}=1 is the fiducial ΛCDM value.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Efficient exploration of cosmology dependence in the EFT of LSS

The most effective use of data from current and upcoming large scale structure (LSS) and CMB observations requires the ability to predict the clustering of LSS with very high precision. The Effective Field Theory of Large Scale Structure (EFTofLSS) provides an instrument for performing analytical computations of LSS observables with the required precision in the mildly nonlinear regime. In this paper, we develop efficient implementations of these computations that allow for an exploration of their dependence on cosmological parameters. They are based on two ideas. First, once an observable has been computed with high precision for a reference cosmology, for a new cosmology the same can be easily obtained with comparable precision just by adding the difference in that observable, evaluated with much less precision. Second, most cosmologies of interest are sufficiently close to the Planck best-fit cosmology that observables can be obtained from a Taylor expansion around the reference cosmology. These ideas are implemented for the matter power spectrum at two loops and are released as public codes. When applied to cosmologies that are within 3σ of the Planck best-fit model, the first method evaluates the power spectrum in a few minutes on a laptop, with results that have 1% or better precision, while with the Taylor expansion the same quantity is instantly generated with similar precision. Finally, the ideas and codes we present may easily be extended for other applications or higher-precision results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Exploration of Factors That Influence Willingness to Consider Pooled Rideshare

Ridesharing has become an increasingly prevalent form of transportation. Although transportation network companies such as Uber and Lyft initially started as a personal rideshare service where individuals ride alone or with people they know, rideshare services have been expanded to pooled rideshare—a dynamic rideshare system where an individual rides with passengers they do not know. Despite the growth in rideshare services worldwide, the use of pooled rideshare in the U.S.A. is relatively low compared to other forms of transportation. A national U.S. survey (N = 5385) was conducted to investigate reasons why individuals are willing or unwilling to consider pooled rideshare. Exploratory and confirmatory factor analyses were performed, where the exploratory factor analysis suggests five factors, specifically,service experience,time/cost,traffic/environment,privacy, andsafety. Model fit indices of the confirmatory factor analysis verified that these five factors can represent the factors behind riders’ willingness to consider pooled rideshare. Furthermore, a binomial logistic regression was conducted to explore how the five factors influence riders’ willingness to consider pooled rideshare. The three factors that influence riders’ willingness to consider pooled rideshare wereservice experience(B = 1.05),traffic/environment(B = .38), andtime/cost(B = .26), while a lack ofprivacy(B = −1.46) can be a deterrent for pooled rideshare.Safetyis important for those who are both willing and unwilling to consider the use of pooled rideshare. Understanding these factors is important for the future of pooled rideshare services in the U.S.A.

Engineering↗
DOE OSTI2020

Viscous flow properties and hydrodynamic diameter of phenothiazine-based redox-active molecules in different supporting salt environments

We report viscous flow properties of a redox-active organic molecule, N-(2-(2-methoxyethoxy)ethyl)phenothiazine (MEEPT), a candidate for non-aqueous redox flow batteries, and two of its radical cation salts. A microfluidic viscometer enabled the use of small sample volumes in determining viscosity as a function of shear rate and concentration in the non-aqueous solvent, acetonitrile, both with and without supporting salts. All solutions tested show Newtonian behavior over shear rates of up to 30 000 s−1, which was rationalized by scaling arguments for the diffusion-based relaxation time of a single MEEPT molecule without aggregation. Neat MEEPT is flowable but with a large viscosity (412 mPa⋅s at room temperature), which is ∼1000 times larger than that of acetonitrile. MEEPT solutions in acetonitrile have low viscosities; at concentrations up to 0.5 M, the viscosity increases by less than a factor of two. From concentration-dependent viscosity measurements, molecular information was inferred from intrinsic viscosity (hydrodynamic diameter) and the Huggins coefficient (interactions). Model fit credibility was assessed using the Bayesian Information Criterion. It is found that the MEEPT and its charged cations are “flowable” and do not flocculate at concentrations up to 0.5 M. MEEPT has a hydrodynamic diameter of around 8.5 Å, which is almost insensitive to supporting salt and state of charge. This size is comparable to molecular dimensions of single molecules obtained from optimized structures using density functional theory calculations. The results suggest that MEEPT is a promising candidate for redox flow batteries in terms of its viscous flow properties.

Wang, Yilin (ORCID:0000000316102995)↗
NASA NTRS1994

BATSE spectroscopy catalog of bright gamma-ray bursts

This paper presents comprehensive results on the spectra of 30 bright gamma ray bursts (GRBs) as observed by the Spectroscopy Detectors (SDs) of the Burst And Transient Source Experiment (BATSE). The data selection was strict in including only spectra that are of high reliability for continuum shape studies. This BATSE Spectroscopy Catalog presents fluences, model fits (for five spectral models for three energy ranges), and photon spectra in a standard manner for each burst. Complete information is provided to describe the data selection and analysis procedures. The catalog results are also presented in electronic format (from the Compton Observatory Science Support Center) and CD-ROM format (AAS CD-ROM series, Vol. 2). These electronic formats also present the count spectra and detector response matrices so as to allow for independent study and fitting by researchers outside the BATSE Team. This BATSE Spectroscopy Catalog complements the catalog from BATSE Large Area Detector (LAD) data by Fishman et al. (1994).

Schaefer, Bradley E.↗
DOE OSTI2019

Large polaron formation and its effect on electron transport in hybrid perovskites

Many experiments have indicated that a large polaron may be formed in hybrid perovskites, and its existence is proposed to screen the carrier-carrier and carrier-defect scattering, thus contributing to the long lifetime of the carriers. However, a detailed theoretical study of the large polaron and its effect on carrier transport at the atomic level is still lacking. In particular, how strong is the large polaron binding energy? How does its effect compare with the effect of dynamic disorder caused by the A-site molecular rotation? And how does the inorganic sublattice vibration impact the motion of the large polaron? All of these questions are largely unanswered. In this work, using CH3NH3PbI3 as an example, we implement a tight-binding model fitted from density-functional theory to describe the electron large polaron ground state and to understand the large polaron formation and transport at its strong-coupling limit. We find that the formation energy of the large polaron is around -12 meV for the case without dynamic disorder, and -55 meV by including dynamic disorder. By performing the explicit time-dependent wavefunction evolution of the polaron state, together with the rotations of CH 3 NH 3 + and vibrations of the PbI3- sublattice, we studied the diffusion constant and mobility of the large polaron state driven by the dynamic disorder and the sublattice vibration. Two effects of the inorganic sublattice vibrations are found: on one hand, the vibration of the sublattice provides an additional driving force for carrier mobility; on the other hand, the large polaron polarization further localizes the electron, reducing its mobility. Overall, the effect of the large polaron is to slow down the electron mobility by roughly a factor of two. We believe that both dynamic disorder due to rotation of the organic molecule, and large polaron effects induced by the polarization and vibration of the inorganic sublattice, play important roles for the electronic structure and carrier dynamics of the system.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Phase-field modeling and experiments of dynamic fracture in single crystal quartz

Predicting the onset and characteristics of brittle fracture is important for a wide range of engineering and geological material applications. In this paper, we study important aspects of brittle fracture in α-quartz by phase-field modeling and experiments using a top-down approach. In the modeling framework, the work term in the Griffith energy balance is replaced with internal energy contributions that represent surface energy, thermal energy, and elastic strain energy stored in defects. This allows parametrization of individual energy contributions in terms of internal state variables and keeps track of energy partitioning after the onset of fracture. The path and history dependence of fracture is included in evolution laws for internal state variables, e.g., entropy evolution, while the energy remains a true potential. In the experimental part, dynamic compression experiments coupled with X-ray phase contrast imaging are performed on cube-like samples with a hole. In the top-down analysis, dynamic compression and three point bending experiments from the literature are simulated with the developed phase-field damage model. In conclusion, the fitted model highlights the strain rate, size, and stress state dependence of damage nucleation and evolution in single crystal α-quartz.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Source Apportionment of Stack Emissions from Research and Development Facilities Using Positive Matrix Factorization

Emissions from research and development (R&D) facilities are difficult to characterize due to the wide variety of processes used, changing nature of research, and large number of chemicals. Positive matrix factorization (PMF) was applied to volatile organic compounds (VOCs) concentrations measured in the main exhaust stacks of four different R&D buildings to identify the number and composition of major contributing sources. PMF identified from 9-11 source-related factors contributing to the stack emissions depending on the building. The factors that were similar between buildings were major contributors to trichloroethylene (TCE), acetone, and ethanol emissions. Several other factors had similar profiles for two or more buildings but not for all four. One factor for each building was a combination of p/m-xylene, o-xylene and ethylbenzene. At least one factor for each building was identified that contained a broad mix of many species and constraints were used in PMF to modify the factors to resemble more closely the off-shift concentration profiles. PMF accepted the constraints with little decrease in model fit. Although the PMF model predicted the profiles of the off-shift samples, the percent of total emissions was under-predicted by the model versus the measured data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Multifidelity importance sampling

Estimating statistics of model outputs with the Monte Carlo method usually requires a large number of model evaluations. This leads to long runtimes if the model is expensive to evaluate. Importance sampling is one method that can lead to a reduction in the number of model evaluations. Importance sampling uses a biasing distribution to sample the model more efficiently, but generating such a biasing distribution can be difficult and usually also requires model evaluations. A different strategy to speed up Monte Carlo sampling is to replace the computationally expensive high-fidelity model with a computationally cheap surrogate model; however, because the surrogate model outputs are only approximations of the high-fidelity model outputs, the estimate obtained using a surrogate model is in general biased with respect to the estimate obtained using the high-fidelity model. We introduce a multifidelity importance sampling (MFIS) method, which combines evaluations of both the high-fidelity and a surrogate model. It uses a surrogate model to facilitate the construction of the biasing distribution, but relies on a small number of evaluations of the high-fidelity model to derive an unbiased estimate of the statistics of interest. We prove that the MFIS estimate is unbiased even in the absence of accuracy guarantees on the surrogate model itself. The MFIS method can be used with any type of surrogate model, such as projection-based reduced-order models and data-fit models. Moreover, the MFIS method is applicable to black-box models, i.e., where only inputs and the corresponding outputs of the high-fidelity and the surrogate model are available but not the details of the models themselves. We demonstrate on nonlinear and time-dependent problems that our MFIS method achieves speedups of up to several orders of magnitude compared to Monte Carlo with importance sampling that uses the high-fidelity model only.

42 ENGINEERING↗
DOE OSTI2016

A simple physiologically based pharmacokinetic model evaluating the effect of anti-nicotine antibodies on nicotine disposition in the brains of rats and humans

Physiologically based pharmacokinetic (PBPK) modeling was applied to investigate the effects of anti-nicotine antibodies on nicotine disposition in the brains of rats and humans. Successful construction of both rat and human models was achieved by fitting model outputs to published nicotine concentration time course data in the blood and in the brain. Key parameters presumed to have the most effect on the ability of these antibodies to prevent nicotine from entering the brain were selected for investigation using the human model. These parameters, which included antibody affinity for nicotine, antibody cross-reactivity with cotinine, and antibody concentration, were broken down into different, clinically-derived in silico treatment levels and fed into the human PBPK model. Model predictions suggested that all three parameters, in addition to smoking status, have a sizable impact on anti-nicotine antibodies' ability to prevent nicotine from entering the brain and that the antibodies elicited by current human vaccines do not have sufficient binding characteristics to reduce brain nicotine concentrations. If the antibody binding characteristics achieved in animal studies can similarly be achieved in human studies, however, nicotine vaccine efficacy in terms of brain nicotine concentration reduction is predicted to meet threshold values for alleviating nicotine dependence. - Highlights: • Modelling of nicotine disposition in the presence of anti-nicotine antibodies • Key vaccine efficacy factors are evaluated in silico in rats and in humans. • Model predicts insufficient antibody binding in past human nicotine vaccines. • Improving immunogenicity and antibody specificity may lead to vaccine success.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

CO GAS INSIDE THE PROTOPLANETARY DISK CAVITY IN HD 142527: DISK STRUCTURE FROM ALMA

Inner cavities and annular gaps in circumstellar disks are possible signposts of giant planet formation. The young star HD 142527 hosts a massive protoplanetary disk with a large cavity that extends up to 140 AU from the central star, as seen in continuum images at infrared and millimeter wavelengths. Estimates of the survival of gas inside disk cavities are needed to discriminate between clearing scenarios. We present a spatially and spectrally resolved carbon monoxide isotopologue observations of the gas-rich disk HD 142527, in the J = 2-1 line of {sup 12}CO, {sup 13}CO, and C{sup 18}O obtained with the Atacama Large Millimeter/submillimeter Array (ALMA). We detect emission coming from inside the dust-depleted cavity in all three isotopologues. Based on our analysis of the gas in the dust cavity, the {sup 12}CO emission is optically thick, while {sup 13}CO and C{sup 18}O emissions are both optically thin. The total mass of residual gas inside the cavity is ∼1.5-2 M {sub Jup}. We model the gas with an axisymmetric disk model. Our best-fit model shows that the cavity radius is much smaller in CO than it is in millimeter continuum and scattered light observations, with a gas cavity that does not extend beyond 105 AU (at 3σ). The gap wall at its outer edge is diffuse and smooth in the gas distribution, while in dust continuum it is manifestly sharper. The inclination angle, as estimated from the high velocity channel maps, is 28 ± 0.5 deg, higher than in previous estimates, assuming a fix central star mass of 2.2 M {sub ☉}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

EVIDENCE FOR DECAY OF TURBULENCE BY MHD SHOCKS IN THE ISM VIA CO EMISSION

We utilize observations of sub-millimeter rotational transitions of CO from a Herschel Cycle 2 open time program (“COPS”, PI: J. Green) to identify previously predicted turbulent dissipation by magnetohydrodynamic (MHD) shocks in molecular clouds. We find evidence of the shocks expected for dissipation of MHD turbulence in material not associated with any protostar. Two models fit about equally well: model 1 has a density of 10{sup 3} cm{sup −3}, a shock velocity of 3 km s{sup −1}, and a magnetic field strength of 4 μG; model 2 has a density of 10{sup 3.5} cm{sup −3}, a shock velocity of 2 km s{sup −1}, and a magnetic field strength of 8 μG. Timescales for decay of turbulence in this region are comparable to crossing times. Transitions of CO up to J of 8, observed close to active sites of star formation, but not within outflows, can trace turbulent dissipation of shocks stirred by formation processes. Although the transitions are difficult to detect at individual positions, our Herschel-SPIRE survey of protostars provides a grid of spatially distributed spectra within molecular clouds. We averaged all spatial positions away from known outflows near seven protostars. We find significant agreement with predictions of models of turbulent dissipation in slightly denser (10{sup 3.5} cm{sup −3}) material with a stronger magnetic field (24 μG) than in the general molecular cloud.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Observations of the Ultraviolet-bright Star Y453 in the Globular Cluster M4 (NGC 6121)

We present a spectral analysis of the UV-bright star Y453 in M4. Model fits to the star’s optical spectrum yield T{sub eff} ∼ 56,000 K. Fits to the star’s FUV spectrum, obtained with the Cosmic Origins Spectrograph on board the Hubble Space Telescope, reveal it to be considerably hotter, with T{sub eff} ∼ 72,000 K. We adopt T{sub eff} = 72,000 ± 2000 K and logg = 5.7 ± 0.2 as our best-fit parameters. Scaling the model spectrum to match the star’s optical and near-infrared magnitudes, we derive a mass M{sub ∗}=0.53±0.24 M{sub ⊙} and luminosity logL/L{sub ⊙}=2.84±0.05, consistent with the values expected of an evolved star in a globular cluster. Comparing the star with post-horizontal-branch evolutionary tracks, we conclude that it most likely evolved from the blue horizontal branch, departing the asymptotic giant branch before third dredge-up. It should thus exhibit the abundance pattern (O-poor and Na-rich) characteristic of the second-generation (SG) stars in M4. We derive the star’s photospheric abundances of He, C, N, O, Si, S, Ti, Cr, Fe, and Ni. CNO abundances are roughly 0.25 dex greater than those of the cluster’s SG stars, while the Si and S abundances match the cluster values. Abundances of the iron-peak elements (except for iron itself) are enhanced by 1–3 dex. Rather than revealing the star’s origin and evolution, this pattern reflects the combined effects of diffusive and mechanical processes in the stellar atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

Cloud height differences on Saturn

Spectrophotometry from 0.6-2.5 micron at 1.5% spectral resolution of Saturn's equator and visibly dark South Equatorial Belt near a 1980 ring-plane crossing shows substantially less absorption by methane over the equator than over the SEB. Model fits using Appleby's model atmosphere and a multiple scattering model lead to the conclusion that the pressure levels of the clouds in the two regions differ by 20%. The region of high clouds is coincident with the location of the equatorial fast jet observed by Voyager.

Apt, J.↗
NASA NTRS1985

Study of non-thermal photon production under different scenarios in solar flares. 2: The Compton inverse and Bremsstrahlung models and fittings

Energy spectra of photons emitted from Bremsstrahlung (BR) of energetic electrons with matter, is obtained from the deconvolution of the electron energy spectra. It can be inferred that the scenario for the production of X-rays and gamma rays in solar flares may vary from event to event. However, it is possible in many cases to associated low energy events to impulsive acceleration, and the high energy phase of some events to stochastic acceleration. In both cases, flare particles seem to be strongly modulated by local energy losses. Electric field acceleration, associated to neutral current sheets is a suitable candidate for impulsive acceleration. Finally, that the predominant radiation process of this radiation is the inverse Compton effect due to the local flare photon field.

Perez-Peraza, J.↗