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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Toxicodynamics of rigid polystyrene microparticles on pulmonary gas exchange in mice: Implications for microemboli-based drug delivery systems

The toxicodynamic relationship between the number and size of pulmonary microemboli resulting from uniformly sized, rigid polystyrene microparticles (MPs) administered intravenously and their potential effects on pulmonary gas exchange were investigated. CD-1 male mice (6–8 weeks) were intravenously administered 10, 25 and 45 μm diameter MPs. Oxygen hemoglobin saturation in the blood (SpO{sub 2}) was measured non-invasively using a pulse oximeter while varying inhaled oxygen concentration (F{sub I}O{sub 2}). The resulting data were fit to a physiologically based non-linear mathematical model that estimates 2 parameters: ventilation–perfusion ratio (V{sub A}/Q) and shunt (percentage of deoxygenated blood returning to systemic circulation). The number of MPs administered prior to a statistically significant reduction in normalized V{sub A}/Q was dependent on particle size. MP doses that resulted in a significant reduction in normalized V{sub A}/Q one day post-treatment were 4000, 40,000 and 550,000 MPs/g for 45, 25 and 10 μm MPs, respectively. The model estimated V{sub A}/Q and shunt returned to baseline levels 7 days post-treatment. Measuring SpO{sub 2} alone was not sufficient to observe changes in gas exchange; however, when combined with model-derived V{sub A}/Q and shunt early reversible toxicity from pulmonary microemboli was detected suggesting that the model and physical measurements are both required for assessing toxicity. Moreover, it appears that the MP load required to alter gas exchange in a mouse prior to lethality is significantly higher than the anticipated required MP dose for effective drug delivery. Overall, the current results indicate that the microemboli-based approach for targeted pulmonary drug delivery is potentially safe and should be further explored. -- Highlights: ► Murine pulmonary gas exchange after microembolization was non-invasively studied. ► A physiologically based model quantified impairment of pulmonary gas exchange. ► Number and size of microemboli determine severity of impaired gas exchange. ► Pulmonary gas exchange returns to baseline within 7 days.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Dynamics of multilayer Rayleigh–Taylor instability at moderately high Atwood numbers

This paper investigates the multilayer Rayleigh–Taylor instability (RTI) using statistically stationary experiments conducted in a gas tunnel. Employing diagnostics such as particle image velocimetry (PIV) and planar laser induced fluorescence (PLIF), we make simultaneous velocity–density measurements to study how dynamics and mixing are linked in this variable density flow. Experiments are conducted in a newly built, blow-down three-layer gas tunnel facility. Mixing between three gas streams is studied, where the top and bottom streams are comprised of air, and the middle stream is an air–helium mixture. Shear is minimized between these streams by matching their inlet velocities. The four experimental conditions investigated here consist of two different density ratios (Atwood numbers 0.3 and 0.6), each investigated at two instability development times (or equivalently, two streamwise locations), and all experiments are with the same middle stream thickness of 3 cm. The growth of the middle layer is measured using laser-based planar Mie scattering visualization. The mixing width is found to grow linearly with time at late times. Various quantitative measures of molecular mixing indicate a very high degree of molecular mixing at late times in the multilayer RTI flow. The vertical turbulent mass flux $a_y$ is calculated. In addition to mostly negative values of $a_y$ , typical of buoyancy-dominated flows due to negative correlation between velocity and density fluctuations, positive regions are also observed in profiles of $a_y$ due to entrainment and erosion at the lower edge of the mixing region. Global energy budgets are calculated for the multilayer RTI flow at late times and it is found that the majority of potential energy released has been dissipated due to viscous effects, and a large value of mixing efficiency ( $\sim$ 60 %) is observed.

Mechanics↗
DOE OSTI2024

Source Levels of In‐Cloud Air in Shallow Cumulus: Consistency Between Paluch Diagram and Lagrangian Particle Tracking

Abstract The Paluch diagram is a widely used tool for interpreting aircraft measurements of shallow cumulus clouds. A prior study conducted by Heus et al. (2008,https://doi.org/10.1175/2008jas2572.1) concluded that the source levels of in‐cloud air inferred from the Paluch diagram exhibit biases, sometimes of several hundred meters, in comparison to those derived from Lagrangian particle tracking. In this short study we revisit this comparison. The results indicate that the upper source levels of in‐cloud air determined from the Lagrangian Particle Tracking and the Paluch diagram are consistent, and the choice of statistical methods is crucial. The significance of this research lies in confirming the reliability of the Paluch analysis, enabling its confident application to aircraft data.

Meteorology & Atmospheric Sciences↗
DOE OSTI2017

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65–70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. As a result, the data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Screening of metal complexes and organic solvents using the COSMOSAC-LANL model to enhance the energy density in a non-aqueous redox flow cell: an insight into the solubility

In this paper, we have proposed a first-principles methodology to screen transition metal complexes against a particular organic solvent and organic solvents against a particular transition metal complex based on their solubility information without the knowledge of heat of fusion and melting temperature. The energy density of a non-aqueous redox flow cell directly depends on the solubility of the redox active species in the non-aqueous medium. Here, we have used the “COSMOSAC-LANL” activity coefficient model which is based on first-principles COSMO calculations where the microscopic information is passed to the macroscopic world via a dielectric continuum solvation model, followed by a post-statistical thermodynamic treatment of the self-consistent properties of the solute particle to calculate the solubility. To model the activity coefficient at infinite dilution for the binary mixtures, a 3-suffix Margules (3sM) function is introduced for the quantitative estimation of the asymmetric interactions and, for the combinatorial term, the Staverman–Guggenheim (SG) form is used. The new activity coefficient model is separately called the “LANL” activity coefficient model. The metal complex and the organic solvent have been treated as a simple binary mixture. The present model has been applied to a set of 14 different organic solvents and 16 different transition metal complexes. Using the new LANL activity coefficient model in combination with the ADF-COSMOSAC-2013 model, we have shown how one can improve the solubility of a transition metal complex in an organic solvent. We applied our model to screen 84 binary mixtures to predict the compatible pair of redox active species and organic solvent to increase the energy density. The solvation mechanism of the transition metal complexes in the organic solvents was obtained using the new model. The results have been compared with the experimental and theoretical results where they are available.

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

A whole-path importance-sampling scheme for Feynman path integral calculations of absolute partition functions and free energies

Using Feynman path integrals, a molecular partition function can be written as a double integral with the inner integral involving all closed paths centered at a given molecular configuration, and the outer integral involving all possible molecular configurations. In previous work employing Monte Carlo methods to evaluate such partition functions, we presented schemes for importance sampling and stratification in the molecular configurations that constitute the path centroids, but we relied on free-particle paths for sampling the path integrals. At low temperatures, the path sampling is expensive because the paths can travel far from the centroid configuration. In this paper, we now present a scheme for importance sampling of whole Feynman paths based on harmonic information from an instantaneous normal mode calculation at the centroid configuration, which we refer to as harmonically guided whole-path importance sampling (WPIS). We obtain paths conforming to our chosen importance function by rejection sampling from a distribution of free-particle paths. Sample calculations on CH 4 demonstrate that at a temperature of 200 K, about 99.9% of the free-particle paths can be rejected without integration, and at 300 K, about 98% can be rejected. Finally, we also show that it is typically possible to reduce the overhead associated with the WPIS scheme by sampling the paths using a significantly lower-order path discretization than that which is needed to converge the partition function.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Efficient calculation of cosmological neutrino clustering in the non-linear regime

We study in detail how neutrino perturbations can be followed in linear theory by using only terms up to l =2 in the Boltzmann hierarchy. We provide a new approximation to the third moment and demonstrate that the neutrino power spectrum can be calculated to a precision of better than ∼ 5% for masses up to ∼ 1 eV and k ∼< 10 h /Mpc. The matter power spectrum can be calculated far more precisely and typically at least a factor of a few better than with existing approximations. We then proceed to study how the neutrino power spectrum can be reliably calculated even in the non-linear regime by using the non-linear gravitational potential, sourced by dark matter overdensities, as it is derived from semi-analytic methods based on N -body simulations in the Boltzmann evolution hierarchy. Our results agree extremely well with results derived from N -body simulations that include cold dark matter and neutrinos as independent particles with different properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Reconstructing probability distributions with Gaussian processes

Modern cosmological analyses constrain physical parameters using Markov Chain Monte Carlo (MCMC) or similar sampling techniques. Oftentimes, these techniques are computationally expensive to run and require up to thousands of CPU hours to complete. Here we present a method for reconstructing the log-probability distributions of completed experiments from an existing chain (or any set of posterior samples). Here, the reconstruction is performed using Gaussian process regression for interpolating the log-probability. This allows for easy resampling, importance sampling, marginalization, testing different samplers, investigating chain convergence, and other operations. As an example use case, we reconstruct the posterior distribution of the most recent Planck 2018 analysis. We then resample the posterior, and generate a new chain with 40 times as many points in only 30 min. Our likelihood reconstruction tool is made publicly available online.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Distribution function of nuclei from $\mathcal{e}^±$ scattering in the presence of a strong primordial magnetic field

The amplitude of the primordial magnetic field (PMF) is constrained from observational limits on primordial nuclear abundances. Within this constraint, it is possible that nuclear motion is regulated by Coulomb scattering with electrons and positrons (e ± s), while e ± s are affected by a PMF rather than collisions. For example, at a temperature of 10 9 K, thermal nuclei typically experience ~ 10 21 scatterings per second that are dominated by very small angle scattering leading to minuscule changes in the nuclear kinetic energy of order $\mathcal{O}$(1) eV. In this paper the upper limit on the effects of a possible discretization of the e ± momenta by the PMF on the nuclear momentum distribution is estimated under the extreme assumptions that the momentum of the e ± is relaxed before and after Coulomb scattering to Landau levels, and that during Coulomb scattering the PMF is neglected. This assumption explicitly breaks the time reversal invariance of Coulomb scattering, and the Maxwell-Boltzmann distribution is not a trivial steady state solution of the Boltzmann equation under these assumptions. Here we numerically evaluate the collision terms in the Boltzmann equation, and show that the introduction of a special direction in the e ± distribution by the PMF generates no directional dependence of the collisional destruction term of nuclei. Large anisotropies in the nuclear distribution function are then constrained from big bang nucleosynthesis. Ultimately, we conclude that a PMF does not significantly affect the isotropy or big bang nucleosynthesis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Nearly quantized conductance plateau of vortex zero mode in an iron-based superconductor

Majorana zero modes (MZMs) are spatially-localized zero-energy fractional quasiparticles with non-Abelian braiding statistics that hold promise for topological quantum computing. Owing to the particle-antiparticle equivalence, MZMs reflect quantized conductance at low temperature. By utilizing variable-tunnel-coupled scanning tunneling spectroscopy, we study tunneling conductance of vortex bound states on FeTe 0.55 Se 0.45 superconductors. Here, we report observations of conductance plateaus as a function of tunnel coupling for zero-energy vortex bound states with values close to or even reaching the 2 e 2 / h quantum conductance (here e is the electron charge and h is Planck’s constant). In contrast, no plateaus were observed on either finite energy vortex bound states or in the continuum of electronic states outside the superconducting gap. This behavior of the zero-mode conductance confirms the existence of MZMs in FeTe 0.55 Se 0.45 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Spin transfer to Λ and Λ-bar hyperons in deep inelastic scattering at HERMES

Preliminary results on the spin transfer to the Λ and Λ-bar hyperons measured by the HERMES Collaboration are presented. Longitudinal spin transfer directed along the virtual-photon momentum in the Λ rest frame is found to be D{sup Λ}{sub LL }= 0.19 ± 0.04{sub stat} ± 0.02{sub syst}, the transverse component being compatible with zero. For Λ-bar both longitudinal and transverse components are compatible with zero within statistical errors of ±0.1.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Mapping Correlation of a Simulated Dark Matter Source and a Point Source in the Gamma-Ray Sky - Oral Presentation [Slides]

In my research, I analyzed how two gamma-ray source models interact with one another when optimizing to fit data. This is important because it becomes hard to distinguish between the two point sources when they are close together or looking at low energy photons. The reason for the first is obvious, the reason why they become harder to distinguish at lower photon energies is the resolving power of the Fermi Gamma-Ray Space Telescope gets worse at lower energies. When the two point sources are highly correlated (hard to distinguish between), we need to change our method of statistical analysis. What I did was show that highly correlated sources have larger uncertainties associated with them, caused by an optimizer not knowing which point source’s parameters to optimize. I also mapped out where their is high correlation for 2 different theoretical mass dark matter point sources so that people analyzing them in the future knew where they had to use more sophisticated statistical analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1973

Sandstorms and eolian erosion on Mars

It is now apparent that windblown sand plays a major role in the Martian environment. The existence of great sand and dust storms implies the lateral transport of large quantities of material on Mars that provide a convenient mechanism for the filling of craters- an event directly implied both by crater frequency-diameter statistics, and by the appearance of Martian craters. Such fast moving sand particles, saltating close to the Martian surface, can produce by collision and subsequent abrasion significant erosion of the Martian terrain.

Sagan, C.↗
NASA NTRS1975

The variation of solar proton energy spectra and size distribution with heliolongitude

A statistical study of the initial phases of a large number of solar particle events provides an approach for an investigation of the variability in the production process and coronal diffusion. A description is given of the procedures which are suitable for identifying the parent flare of an event, taking into account the heliocentric distribution of the flare-associated events. The determination of the proton energy spectrum at the sun is discussed along with the variation of the spectral index with the associated flare heliocentric longitude, questions concerning the source spectra and the acceleration process, and the size distribution of flare associated particle events.

Van Hollebeke, M. A. I.↗
NASA NTRS1981

Correlation function studies for snow and ice

The random medium model is used to characterize snow and ice fields in the interpretation of active and passive microwave remote sensing data. A correlation function is used to describe the random permittivity fluctuations with the associated mean and variance and correlation lengths; and several samples are investigated to determine typical correlation functions for snow and ice. It is shown that correlation functions are extracted directly from appropriate ground truth data, and an exponential correlation function is observed for snow and ice with lengths corresponding to the actual size of ice particles or air bubbles. Thus, given that a medium has spatially stationary statistics and a small medium, the random medium model can interpret remote sensing data where theoretical parameters correspond to actual physical parameters of the terrain.

Vallese, F.↗