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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Assessment of Wind Parameter Sensitivity on Extreme and Fatigue Wind Turbine Loads

Wind turbines are designed using a set of simulations to ascertain the structural loads that the turbine could encounter. While mean hub-height wind speed is considered to vary, other wind parameters such as turbulence spectra, sheer, veer, spatial coherence, and component correlation are fixed or conditional values that, in reality, could have different characteristics at different sites and have a significant effect on the resulting loads. This paper therefore seeks to assess the sensitivity of different wind parameters on the resulting ultimate and fatigue loads on the turbine during normal operational conditions. Eighteen different wind parameters are screened using an Elementary Effects approach with radial points. As expected, the results show a high sensitivity of the loads to the turbulence standard deviation in the primary wind direction, but the sensitivity to wind shear is often much greater. To a lesser extent, other wind parameters that drive loads include the coherence in the primary wind direction and veer.

17 WIND ENERGY↗
DOE OSTI2018

Assessment of Wind Parameter Sensitivity on Ultimate and Fatigue Wind Turbine Loads: Preprint

Wind turbines are designed using a set of simulations to ascertain the structural loads that the turbine could encounter. While mean hub-height wind speed is considered to vary, other wind parameters such as turbulence spectra, sheer, veer, spatial coherence, and component correlation are fixed or conditional values that, in reality, could have different characteristics at different sites and have a significant effect on the resulting loads. This paper therefore seeks to assess the sensitivity of different wind parameters on the resulting ultimate and fatigue loads on the turbine during normal operational conditions. Eighteen different wind parameters are screened using an Elementary Effects approach with radial points. As expected, the results show a high sensitivity of the loads to the turbulence standard deviation in the primary wind direction, but the sensitivity to wind shear is often much greater. To a lesser extent, other wind parameters that drive loads include the coherence in the primary wind direction and veer.

17 WIND ENERGY↗
NASA NTRS1972

Ionization of multielectron atoms by fast charged particles.

Using plane waves to describe the incident and scattered particles, and screened hydrogenic and Coulomb functions to describe the atomic electrons before and after ejections, we have calculated the differential and total ionization cross sections of 11 atoms and one ion by electron impact, and ionization of helium by proton impact. The effective charges of the screened hydrogenic functions are fixed by the Hartree-Fock calculations. Calculations have been carried out for the atomic s, p, and d electrons. For low atomic numbers, we find reasonable agreement with the experimental data. For intermediate atomic numbers, we expect our results to overestimate the actual cross sections, since our choice of a unit charge for the Coulomb function of the ejected electrons will overestimate the atomic dipole potential strength, and in turn the high-energy cross sections. The advantage of the method presented here is that the ionization amplitude is given in analytic form. This may allow further analysis on this amplitude, and facilitates extension of the numerical integration for the cross section to high impact energies.

Omidvar, K.↗
NASA NTRS2001

MODIS Solar Diffuser: Modelled and Actual Performance

The Moderate Resolution Imaging Spectroradiometer (MODIS) instrument's solar diffuser is used in its radiometric calibration for the reflective solar bands (VIS, NTR, and SWIR) ranging from 0.41 to 2.1 micron. The sun illuminates the solar diffuser either directly or through a attenuation screen. The attenuation screen consists of a regular array of pin holes. The attenuated illumination pattern on the solar diffuser is not uniform, but consists of a multitude of pin-hole images of the sun. This non-uniform illumination produces small, but noticeable radiometric effects. A description of the computer model used to simulate the effects of the attenuation screen is given and the predictions of the model are compared with actual, on-orbit, calibration measurements.

Waluschka, Eugene↗
DOE OSTI2023

Identifying limitations in screening high-throughput photocatalytic bimetallic nanoparticles with machine-learned hydrogen adsorptions

The Sabatier principle is of fundamental importance to computational catalyst discovery, saving researchers time and expense by predicting catalytic activity in silico at scale. However, as polycrystalline and nanoscale catalysts increasingly dominate industry, computational screening tools must be adapted to these uses. In this work, we demonstrate the effectiveness of computational adsorption energy screening in nanocatalysis by comparing a multisite adsorption energy prediction workflow against a large experimental dataset of hydrogen evolution activities over bimetallic nanoparticles. Comparing 16 million hydrogen adsorption energy predictions with the hydrogen evolution activity of 5300 experiments across 84 monometallic and bimetallic systems, we discover that favorable adsorption energies are a necessary condition for experimental activity, but other factors often determine trends in practice. Finally, about half of the bimetallic search space can be excluded from experimental screens using hydrogen adsorption predictions, but this method may become significantly more powerful when combined with other screening tools.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Anti-polyelectrolyte and polyelectrolyte effects on conformations of polyzwitterionic chains in dilute aqueous solutions

Abstract Polyzwitterions (PZs) are considered as model synthetic analogs of intrinsically disordered proteins. Based on this analogy, PZs in dilute aqueous solutions are expected to attain either globular (i.e. molten, compact) or random coil conformations. Addition of salt is expected to open these conformations. To the best of our knowledge, these hypotheses about conformations of PZs have never been verified. In this study, we test these hypotheses by studying effects of added salt [potassium bromide (KBr)] on gyration and hydrodynamic radii of poly(sulfobetaine methacrylate) in dilute aqueous solutions using dynamic light scattering and small-angle X-ray scattering, respectively. Effects of zwitteration are revealed by direct comparisons of the PZs with the polymers of the same backbone but containing (1) no explicit charges on side groups such as poly(2-dimethylaminoethyl methacrylate)s and (2) explicit cationic side groups with tertiary amino bromide pendants. Zeta-potential measurements, transmission electron microscopy, and ab initio molecular dynamics simulations reveal that the PZs acquire net positive charge in near salt-free conditions due to protonation but retain coiled conformations. Added KBr leads to nonmonotonic changes exhibiting an increase followed by a decrease in radius of gyration (and hydrodynamic radius), which are called antipolyelectrolyte and polyelectrolyte effects, respectively. Charge regulation and screening of charge–charge interactions are discussed in relation to the antipolyelectrolyte and polyelectrolyte effects, respectively, which highlight the importance of salt in affecting net charge and conformations of PZs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

MeV per Nucleon Ion Irradiation of Nuclear Materials with High Energy Synchrotron X-ray Characterization

The combination of MeV/Nucleon ion irradiation (e.g. 133 MeV Xe) and high energy synchrotron x-ray characterization (e.g. at the Argonne Advanced Photon Source, APS) provides a powerful characterization method to understand radiation effects and to rapidly screen materials for the nuclear reactor environment. Ions in this energy range penetrate ~10 μm into materials. Over this range, the physical interactions vary (electronic stopping, nuclear stopping and added interstitials). Spatially specific x-ray (and TEM and nanoindentation) analysis allow individual quantification of these various effects. Hard x-rays provide the penetration depth needed to analyze even nuclear fuels. Here, this combination of synchrotron x-ray and MeV/Nucleon ion irradiation is demonstrated on U-Mo fuels. A preliminary look at HT-9 steels is also presented. We suggest that a hard x-ray facility with in situ MeV/nucleon irradiation capability would substantially accelerate the rate of discovery for extreme materials.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1988

Evidence against the involvement of ionically bound cell wall proteins in pea epicotyl growth

Ionically bound cell wall proteins were extracted from 7 day old etiolated pea (Pisum sativum L. cv Alaska) epicotyls with 3 molar LiCl. Polyclonal antiserum was raised in rabbits against the cell wall proteins. Growth assays showed that treatment of growing region segments (5-7 millimeters) of peas with either dialyzed serum, serum globulin fraction, affinity purified immunoglobulin, or papain-cleaved antibody fragments had no effect on growth. Immunofluorescence microscopy confirmed antibody binding to cell walls and penetration of the antibodies into the tissues. Western blot analysis, immunoassay results, and affinity chromatography utilizing Sepharose-bound antibodies confirmed recognition of the protein preparation by the antibodies. Experiments employing in vitro extension as a screening measure indicated no effect upon extension by antibodies, by 50 millimolar LiCl perfusion of the apoplast or by 3 molar LiCl extraction. Addition of cell wall protein to protease pretreated segments did not restore extension nor did addition of cell wall protein to untreated segments increase extension. It is concluded that, although evidence suggests that protein is responsible for the process of extension, the class(es) of proteins which are extracted from pea cell walls with 3 molar LiCl are probably not involved in this process.

NASA Program Space Biology↗
DOE OSTI2019

Scanning tunneling shot-noise spectroscopy in Kondo systems

Using a large- N theory in combination with the Keldysh nonequilibrium Green's function formalism, we investigate the current, differential conductance, zero-frequency shot noise, and Fano factor as measured by scanning tunneling shot-noise spectroscopy (STSNS) using a scanning tunneling microscope (STM) near single Kondo impurities and in Kondo lattices. We show that the Fano factor F exhibits a characteristic bias dependence arising from Kondo screening that is similar to the Kondo resonance observed in the differential conductance. Moreover, the line shape of F is strongly dependent on the ratio of the tunneling amplitudes for electron tunneling from the STM tip into the conduction band and electronic levels of the magnetic adatoms. We demonstrate that the Fano factor can be enhanced or suppressed due to interference effects and as such, is not only a sensitive probe for the correlation effects arising from Kondo screening, but also for quantum interference between tunneling electrons. We identify a correlation between the form of the differential conductance and the Fano factor that could be tested in future STSNS experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Grain in weakly ionized plasma in the presence of an external magnetic field: Charging by plasma currents and effective potential

The problem of grain screening is solved numerically for the case of weakly ionized plasma in the presence of an external magnetic field. The plasma dynamics is described within the drift-diffusion approximation under the assumption that the grain absorbs all encountered electrons and ions. We also assume that the plasma current through the grain surface is equal to zero in the stationary state. This condition is used to perform self-consistent calculations of the grain charge. The spatial distribution of the screened grain potential is studied and compared with the analytical estimates. It is shown that at the distances larger than the Debye length such potential has the Coulomb-like asymptotics with the effective charge dependent on the angle between the radius vector and the external magnetic field direction. The numerical solutions show that in the direction parallel to the external magnetic field the effective potential can have nonmonotonic behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement

In polar semiconductors and insulators, the Fröhlich interaction between electrons and long-wavelength longitudinal optical phonons induces a many-body renormalization of the carrier effective masses and the appearance of characteristic phonon sidebands in the spectral function, commonly dubbed “polaron satellites.” The simplest model that captures these effects is the Fröhlich model, whereby electrons in a parabolic band interact with a dispersionless longitudinal optical phonon. The Fröhlich model has been employed in a number of seminal papers, from early perturbation-theory approaches to modern diagrammatic Monte Carlo calculations. One limitation of this model is that it focuses on undoped systems, thus ignoring carrier screening and Pauli blocking effects that are present in real experiments on doped samples. Here, to overcome this limitation, we extend the Fröhlich model to the case of doped systems, and we provide exact solutions for the electron spectral function, mass enhancement, and polaron satellites. We perform the analysis using two approaches, namely, Dyson’s equation with the Fan-Migdal self-energy, and the second-order cumulant expansion. We find that these two approaches provide qualitatively different results. In particular, Dyson’s approach yields better quasiparticle masses and worse satellites, while the cumulant approach provides better satellite structures, at the price of worse quasiparticle masses. Both approaches yield an anomalous enhancement of the electron effective mass at finite doping levels, which in turn leads to a breakdown of the quasiparticle picture in a significant portion of the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2001

Combining Information on Multiple Detection Techniques to Estimate the Effect of Patent Foramen Ovale on Susceptibility to Decompression Illness

The assembly and the maintenance of the International Space Station is expected to require hundreds of extravehicular excursions (EVA's) in the next 10 years. During an EVA, in order to allow movement and bending of limbs, spacesuit pressures are reduced to about 4.3 psi. as compared with about 14.7 psi. for normal atmospheric pressure at sea level. However, the exposure of astronauts to reduced pressures in spacesuits, is conducive to fonnation and growth of gas bubbles within venous blood or tissues, which could cause decompression illness (DCI), a pathology best known to occur among deep-sea divers when they return to the surface. To reduce the risk of DCI, astronauts adjust to the reduced pressure in stages for a prolonged time known as a "pre-breathe" period prior to their extravehicular activity. Despite the use of pre-breathe protocols, an increased risk of DCI can arise for about 25% of humans who have a small hole, known as a patent foramen ovale (PFO), between two chambers of the heart. The atrial septum's fossa oval is, an embryological remnant of a flap between the septae primum and secundum allows fetal right atrial blood to pass into the left atrium, and usually closes after birth (Hagen, et al,. 1984). If fusion does not occur, a valve-like opening, the foramen ovale persists between the two atria. It has been suggested that astronauts with PFO's might be at greater risk of stroke or other serious neurological DCI because bubbles from a venous site may traverse a PFO, travel to the aorta and then enter the cerebral circulatory system causing a stroke (Figure 1). Astronauts are not now screened for PFO's, however consideration is being given to doing so. Here, we study three main methods abbreviated here as "ITE", "TCD" and "TEE", for detecting PFO's in living subjects. All involve the introduction of bubbles into a vein, immediately after which a sensory probe attempts to detect the bubbles in systemic circulation. Presence of the injected bubbles in the systemic circulation is indicative of a PFO. More detailed descriptions are given after the explanation of PFO's under Figure I. Even if a true PFO affects the risk of DCI, there remains a question of how effective screening would be if the detection method has errors of omission and/or commission. Of the three methods studied here, TEE is the "gold standard", matching autopsy results with near-perfect sensitivity and specificity (Schneider, et al. , 1996). However TEE is also the most difficult method to implement, requiring an internal esophagal probe, and is therefore not widely used. Currently, the easiest to use and most common PFO detection method is TTE, which uses an external chest probe. This method has a specificity of near 100%, but suffers from a low sensitivity rate (about 30%). More recently, TCD has been developed, which uses ultrasound probes to detect the presence of bubbles in cerebral arteries. Studies indicate that TCD is quite effective, having a sensitivity of about 91% and a specificity of about 93% (Droste, et al., 1999) when applied correctly, however implementation is difficult and requires considerable training.

Feiveson, Alan H.↗
DOE OSTI2020

Efficient computational search for lanthanide-binding additive dopants for advanced U-Zr based fuels

A rational design strategy combining theory and experiment is highly desirable for the development of U-Zr based fuels that are resistant to lanthanide-induced fuel-cladding chemical interaction (FCCI). Here, we performed rapid computational screening of FCCI-mitigating (via strong lanthanide-binding) elements across the periodic table by utilizing three simple criteria and density functional theory (DFT) calculated total energies of relevant elements and compounds retrieved from high-throughput DFT databases. In addition to successfully identifying previously demonstrated additives, our search leads to the discovery of Bi as a highly effective element among all 68 elements screened, and its effectiveness was experimentally confirmed in this study.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA

Tens-of-thousands of chemicals are registered in the U.S. for use in countless processes and products. Recent evidence suggests that many of these chemicals are measureable in environmental and/or biological systems, indicating the potential for widespread exposures. Traditional public health research tools, including in vivo studies and targeted analytical chemistry methods, have been unable to meet the needs of screening programs designed to evaluate chemical safety. As such, new tools have been developed to enable rapid assessment of potentially harmful chemical exposures and their attendant biological responses. One group of tools, known as “nontargeted analysis” (NTA) methods, allows the rapid characterization of thousands of never-before-studied compounds in a wide variety of environmental, residential, and biological media. This article discusses current applications of NTA methods, challenges to their effective use in chemical screening studies, and ways in which shared resources (e.g., chemical standards, databases, model predictions, and media measurements) can advance their use in risk-based chemical prioritization. A brief review is provided of resources and projects within EPA’s Office of Research and Development (ORD) that provide benefit to, and receive benefits from, NTA research endeavors. A summary of EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT) is also given, which makes direct use of ORD resources to benefit the global NTA research community. Finally, a research framework is described that shows how NTA methods will bridge chemical prioritization efforts within ORD. This framework exists as a guide for institutions seeking to understand the complexity of chemical exposures, and the impact of these exposures on living systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Tuning the polar states of ferroelectric films via surface charges and flexoelectricity

In this work, using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge represented by the Bardeen-type surface states. Hence we consider the competition between the screening and the domain formation as alternative ways to reduce the electrostatic energy and reveal unusual peculiarities of distributions of polarization, electric and elastic fields conditioned by the surface screening length and the flexocoupling strength. We have established that the critical thickness of the film and its transition temperature to a paraelectric phase strongly depend on the Bardeen screening length, while the flexocoupling affects the polarization rotation and closure domain structure. Furthermore the flexocoupling induces ribbon-like nano-scale domains in the film depth far from the top open surface, which might be related to the enigmatic polar nanoregions in relaxor ferroelectrics. Thus the joint action of the surface screening (originating from e.g. the adsorption of ambient ions or surface states) and flexocoupling may remarkably modify polar and electromechanical properties of thin ferroelectric films.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Observation of photo-induced plasmon–phonon coupling in PbTe via ultrafast x-ray scattering

We report the observation of photo-induced plasmon–phonon coupled modes in the group IV–VI semiconductor PbTe using ultrafast x-ray diffuse scattering at the Linac Coherent Light Source. We measure the near-zone-center excited-state dispersion of the heavily screened longitudinal optical (LO) phonon branch as extracted from differential changes in x-ray diffuse scattering intensity following above bandgap photoexcitation. We suggest that upon photoexcitation, the LO phonon-plasmon coupled (LOPC) modes themselves become coupled to longitudinal acoustic modes that drive electron band shifts via acoustic deformation potentials and possibly to low-energy single-particle excitations within the plasma and that these couplings give rise to displacement-correlations that oscillate in time with a period given effectively by the heavily screened LOPC frequency.

36 MATERIALS SCIENCE↗
NASA NTRS2002

Pulsar Polar Cap Heating and Surface Thermal X-ray Emission: Curvature Radiation Pair Fronts - 1

We investigate the effect of pulsar polar cap (PC) heating produced by positrons returning from the upper pair formation front. Our calculations are based on a self-consistent treatment of the pair dynamics and the effect of electric field screening by the returning positrons. We calculate the resultant X-ray luminosities and discuss the dependence of the PC heating efficiencies on pulsar parameters, such as characteristic spin-down age, spin period, and surface magnetic field strength. In this study we concentrate on the regime where the pairs are produced in a magnetic field by curvature photons emitted by accelerating electrons. Our theoretical results are not in conflict with the available observational x-ray data and suggest that the effect of PC heating should significantly contribute to the thermal x-ray fluxes from middle-aged and old pulsars. The implications for current and future x-ray observations of pulsars are briefly outlined.

Harding, Alice K.↗