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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Non-monotonic swelling of surface grafted hydrogels induced by pH and/or salt concentration

We use a molecular theory to study the thermodynamics of a weak-polyacid hydrogel film that is chemically grafted to a solid surface. We investigate the response of the material to changes in the pH and salt concentration of the buffer solution. Our results show that the pH-triggered swelling of the hydrogel film has a non-monotonic dependence on the acidity of the bath solution. At most salt concentrations, the thickness of the hydrogel film presents a maximum when the pH of the solution is increased from acidic values. The quantitative details of such swelling behavior, which is not observed when the film is physically deposited on the surface, depend on the molecular architecture of the polymer network. This swelling-deswelling transition is the consequence of the complex interplay between the chemical free energy (acid-base equilibrium), the electrostatic repulsions between charged monomers, which are both modulated by the absorption of ions, and the ability of the polymer network to regulate charge and control its volume (molecular organization). In the absence of such competition, for example, for high salt concentrations, the film swells monotonically with increasing pH. A deswelling-swelling transition is similarly predicted as a function of the salt concentration at intermediate pH values. This reentrant behavior, which is due to the coupling between charge regulation and the two opposing effects triggered by salt concentration (screening electrostatic interactions and charging/discharging the acid groups), is similar to that found in end-grafted weak polyelectrolyte layers. Understanding how to control the response of the material to different stimuli, in terms of its molecular structure and local chemical composition, can help the targeted design of applications with extended functionality. We describe the response of the material to an applied pressure and an electric potential. We present profiles that outline the local chemical composition of the hydrogel, which can be useful information when designing applications that pursue or require the absorption of biomolecules or pH-sensitive molecules within different regions of the film.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Injection current dependences of electroluminescence transition energy in InGaN/GaN multiple quantum wells light emitting diodes under pulsed current conditions

Injection current dependences of electroluminescence transition energy in blue InGaN/GaN multiple quantum wells light emitting diodes (LEDs) with different quantum barrier thicknesses under pulsed current conditions have been analyzed taking into account the related effects including deformation caused by lattice strain, quantum confined Stark effects due to polarization field partly screened by carriers, band gap renormalization, Stokes-like shift due to compositional fluctuations which are supposed to be random alloy fluctuations in the sub-nanometer scale, band filling effect (Burstein-Moss shift), and quantum levels in finite triangular wells. The bandgap renormalization and band filling effect occurring at high concentrations oppose one another, however, the renormalization effect dominates in the concentration range studied, since the band filling effect arising from the filling in the tail states in the valence band of quantum wells is much smaller than the case in the bulk materials. In order to correlate the carrier densities with current densities, the nonradiative recombination rates were deduced experimentally by curve-fitting to the external quantum efficiencies. The transition energies in LEDs both with 15 nm quantum barriers and 5 nm quantum barriers, calculated using full strengths of theoretical macroscopic polarization given by Barnardini and Fiorentini [Phys. Status Solidi B 216, 391 (1999)] are in excellent accordance with experimental results. The LED with 5 nm barriers has been shown to exhibit a higher transition energy and a smaller blue shift than those of LED with 15 nm barriers, which is mainly caused by the smaller internal polarization field in the quantum wells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Extended hot carrier lifetimes observed in bulk In{sub 0.265±0.02}Ga{sub 0.735}N under high-density photoexcitation

We have investigated the ultrafast carrier dynamics in a 1 μm bulk In{sub 0.265}Ga{sub 0.735}N thin film grown using energetic neutral atom-beam lithography/epitaxy molecular beam epitaxy. Cathodoluminescence and X-ray diffraction experiments are used to observe the existence of indium-rich domains in the sample. These domains give rise to a second carrier population and bi-exponential carrier cooling is observed with characteristic lifetimes of 1.6 and 14 ps at a carrier density of 1.3 × 10{sup 16 }cm{sup −3}. A combination of band-filling, screening, and hot-phonon effects gives rise to a two-fold enhanced mono-exponential cooling rate of 28 ps at a carrier density of 8.4 × 10{sup 18 }cm{sup −3}. This is the longest carrier thermalization time observed in bulk InGaN alloys to date.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Simultaneous mapping of nanoscale dielectric, electrochemical, and ferroelectric surface properties of van der Waals layered ferroelectric via advanced SPM

Ferroelectric surfaces involve a complex interplay between polarization and dielectric properties, internal and external surface charge screening, and ionic and electrochemical effects. There is currently no good way to simultaneously capture all the required information at appropriate length scales. To this end, we present an advanced scanning probe microscopy approach for simultaneously mapping surface potential, dielectric, and piezoelectric properties on the nanoscale. For quantitatively mapping electromechancial properties, we utilize interferometric displacement sensing piezoresponse force microscopy, which measures the effective piezoelectric coefficient free of background artifacts such as the cantilever body electrostatics. The dielectric and surface electrochemical properties are captured during G-mode electrostatic force microscopy/Kelvin probe force microscopy operated in the lift mode. We show the capabilities of this approach on the chemically phase separated composite sample consisting of a van der Waals layered ferroelectric CuInP 2 S 6 phase and a non-polar In 4/3 P 2 S 6 phase. Finally, we demonstrate domain structure evolution during thermally stimulated phase transition.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Searching for ternary magnetic Zr–Fe–B compounds through deep machine learning

We use deep machine learning (ML) combined with first-principles calculations to search for energetically favorable ternary magnetic zirconium–iron borides. We show that an iterative ML approach enables efficient screening of vast structural libraries, effectively selecting promising candidates for subsequent first-principles investigations. Twenty-two new Fe-rich ternary compounds with formation energies within 60 meV atom −1 above the known ternary convex hull and with magnetic polarization larger than 0.6 T are identified, among which ten structures exhibit significant uniaxial anisotropy with magnetocrystalline anisotropy constant K 1 ⩾ 0.8 MJ m −3 , including a Zr 2 Fe 14 B phase. Such an ML-guided approach dramatically accelerates the discovery of rare-earth-free permanent magnetic materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Ab initio calculations of exciton radiative lifetimes in bulk crystals, nanostructures, and molecules

Excitons are bound electron-hole pairs that dominate the optical response of semiconductors and insulators, especially in materials where the Coulomb interaction is weakly screened. Light absorption (including excitonic effects) has been studied extensively using first-principles calculations, but methods for computing radiative recombination and light emission are still being developed. In this work we show a unified ab initio approach to compute exciton radiative recombination in materials ranging from bulk crystals to nanostructures and molecules. We derive the rate of exciton radiative recombination in bulk crystals, isolated systems, and in one- and two-dimensional materials, using Fermi’s golden rule within the Bethe-Salpeter equation approach. We present benchmark calculations of radiative lifetimes in a GaAs crystal and in gas-phase organic molecules. Our work provides a general method for studying exciton recombination and light emission in bulk, nanostructured, and molecular materials from first principles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Tunable electronic correlation effects in nanotube-light interactions

Electronic many-body correlation effects in one-dimensional (1D) systems such as carbon nanotubes have been predicted to strongly modify the nature of photoexcited states. In this work we directly probe this effect using broadband elastic light scattering from individual suspended carbon nanotubes under electrostatic gating conditions. We observe significant shifts in optical transition energies, as well as line broadening, as the carrier density is increased. These effects demonstrate the role of screening of many-body electronic interactions on the different length scales, a feature inherent to quasi-1D systems. Our findings further demonstrate the possibility of electrical tuning of optical transitions and provide a basis for understanding of various optical phenomena in carbon nanotubes and other quasi-1D systems in the presence of charge carrier doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Probing many-body interactions in monolayer transition-metal dichalcogenides

Many-body interactions in monolayer transition-metal dichalcogenides are strongly affected by their unique band structure. We study these interactions by measuring the energy shift of neutral excitons (bound electron-hole pairs) in gated WSe 2 and MoSe 2 . Surprisingly, while the blueshift of the neutral exciton X 0 in electron-doped samples can be more than 10 meV, the blueshift in hole-doped samples is nearly absent. Taking into account dynamical screening and local-field effects, we present a transparent and analytical model that elucidates the crucial role played by intervalley plasmons in electron-doped conditions. Here, the energy shift of X 0 as a function of charge density is computed showing agreement with experiment, where the renormalization of X 0 by intervalley plasmons yields a stronger blueshift in MoSe 2 than in WSe 2 due to differences in their band ordering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Investigating the possible existence of hyper-heavy nuclei in a neutron-star environment

The synthesis of hyper-heavy elements is investigated under conditions simulating neutron star environment. The constrained molecular dynamics approach is used to simulate low energy collisions of extremely n-rich nuclei. A new type of the fusion barrier due to a “neutron wind” is observed when the effect of neutron star environment (screening of Coulomb interaction) is introduced implicitly. When introducing also a background of surrounding nuclei, the nuclear fusion becomes possible down to temperatures of 10 8 K and synthesis of extremely heavy and n-rich nuclei appears feasible. A possible existence of hyper-heavy nuclei in a neutron star environment could provide a mechanism of extra coherent neutrino scattering or an additional mechanism, resulting in x-ray burst or a gravitational wave signal and, thus, becoming another crucial process adding new information to the suggested models on neutron star evolution.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Measurement of the relative yields of ψ ( 2 S ) to ψ ( 1 S ) mesons produced at forward and backward rapidity in p + p , p + Al , p + Au , and He 3 + Au collisions at s NN = 200 GeV

The PHENIX Collaboration has measured the ratio of the yields of ψ(2S) to ψ(1S) mesons produced in p+p, p+Al, p+Au, and 3 He+Au collisions at √ s NN = 200 GeV over the forward and backward rapidity intervals 1.2 < |y| < 2.2. We find that the ratio in p+p collisions is consistent with measurements at other collision energies. In collisions with nuclei, we find that in the forward (p-going or 3 He-going) direction, the relative yield of ψ(2S) mesons to ψ(1S) mesons is consistent with the value measured in p+p collisions. However, in the backward (nucleus-going) direction, the ψ(2S) meson is preferentially suppressed by a factor of ~2. This suppression is attributed in some models to the breakup of the weakly bound ψ(2S) meson through final-state interactions with comoving particles, which have a higher density in the nucleus-going direction. As a result, these breakup effects may compete with color screening in a deconfined quark-gluon plasma to produce sequential suppression of excited quarkonia states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Potent, specific MEPicides for treatment of zoonotic staphylococci

Coagulase-positive staphylococci, which frequently colonize the mucosal surfaces of animals, also cause a spectrum of opportunistic infections including skin and soft tissue infections, urinary tract infections, pneumonia, and bacteremia. However, recent advances in bacterial identification have revealed that these common veterinary pathogens are in fact zoonoses that cause serious infections in human patients. The global spread of multidrug-resistant zoonotic staphylococci, in particular the emergence of methicillin-resistant organisms, is now a serious threat to both animal and human welfare. Accordingly, new therapeutic targets that can be exploited to combat staphylococcal infections are urgently needed. Enzymes of the methylerythritol phosphate pathway (MEP) of isoprenoid biosynthesis represent potential targets for treating zoonotic staphylococci. Here we demonstrate that fosmidomycin (FSM) inhibits the first step of the isoprenoid biosynthetic pathway catalyzed by deoxyxylulose phosphate reductoisomerase (DXR) in staphylococci. In addition, we have both enzymatically and structurally determined the mechanism by which FSM elicits its effect. Using a forward genetic screen, the glycerol-3-phosphate transporter GlpT that facilitates FSM uptake was identified in two zoonotic staphylococci, Staphylococcus schleiferi and Staphylococcus pseudintermedius . A series of lipophilic ester prodrugs (termed MEPicides) structurally related to FSM were synthesized, and data indicate that the presence of the prodrug moiety not only substantially increased potency of the inhibitors against staphylococci but also bypassed the need for GlpT-mediated cellular transport. Collectively, our data indicate that the prodrug MEPicides selectively and robustly inhibit DXR in zoonotic staphylococci, and further, that DXR represents a promising, druggable target for future development.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Integrated Component-Specific Measurements to Develop Emission Factors for Compressors and Gas Gathering Lines

The Department of Energy (DOE) National Energy Technology Laboratory (NETL) and other critical stakeholders (e.g., U.S. Environmental Protection Agency (USEPA), state regulators, and industry) seek to more accurately characterize and quantify methane emissions from compressors and gathering lines within the Gathering and Boosting (G&B) segment of the natural gas system network. These efforts will reduce uncertainties in emissions estimates in USEPA’s current Green House Gas Inventory (GHGI) under their Greenhouse Gas Reporting Program (GHGRP). For this study, four G&B stations in the Gulf Coast Area were visited four times over the course of one year. Components were classified according to equipment and component type and emissions from select components were measured using multiple measurement technologies. The following major equipment types were considered: i) compressors, ii) separators, iii) dehydrators, iv) coalescers, v) slug catchers, vi) yard piping, vii) tanks, and viii) gathering lines. Individual components on each equipment type were further divided into the following main categories: i) connectors, ii) valves, iii) pressure relief valves (PRV), iv) meters, v) gauges, vi) regulators, vii) pneumatic device vents, and viii) compressor vents (e.g., distance piece vents [DPVs] and rod packing vents [RPVs]). Components were screened for the presence of leaks and venting emissions with an optical gas imaging (OGI) camera, and methane emission rates were measured using a microdilution high volume sampler. Downwind emissions were measured using an Open Path Fourier Transform Infrared (OP-FTIR) Spectrometer. Data were evaluated to assess correlation with site, equipment, time, and operational variables. Key findings and recommendations from the study include: A) Different counting methodologies can result in vastly different component counts, thus influencing total emissions calculations using Subpart W population EFs. A standard methodology should be adopted for classifying and counting components in order to minimize inconsistencies across studies and instruct stakeholders responsible for GHGI reporting. B) Results support current component subcategories listed in USEPA Subpart W, including the subdivision of connectors (flanged and “other”) and pneumatic device vents (intermittent, continuous low bleed, and continuous high bleed). C) Emission rates vary across sites and a relationship between higher emissions and compressor age was observed for some components. D) Component emission rates varied between field campaigns. The type of components contributing to overall measured emissions also varied among field campaigns. However, the emission rate variability was larger between different components (of the same category) than the variability in one component over the four field campaigns. Therefore, when calculating emission factors, it is not necessary to take repeat measurements to capture component variability. E) Measuring the emission rate of a sample for an extended period of time is not necessary to capture the average component emission rate. F) For reporting purposes, excluding liquid lines from site-wide screening may have a negligible effect on component-related emissions. However, from a site management perspective, malfunctioning components were not uncommon on liquid lines and contributed substantially to fugitive emissions at some sites. G) Population EFs, whether including or excluding liquid lines, were a conservative estimate of fugitive emissions. Leaker EFs consistently underestimated emissions at the field sites. Measurements at more sites, particularity sites in other areas of the country, need to be completed before determining the accuracy of EFs.

03 NATURAL GAS↗
DOE OSTI2024

A Model for Pair Production Limit Cycles in Pulsar Magnetospheres

Abstract It was recently proposed that the electric field oscillation as a result of self-consistent e ± pair production may be the source of coherent radio emission from pulsars. Direct particle-in-cell simulations of this process have shown that the screening of the parallel electric field by this pair cascade manifests as a limit cycle, as the parallel electric field is recurrently induced when pairs produced in the cascade escape from the gap region. In this work, we develop a simplified time-dependent kinetic model of e ± pair cascades in pulsar magnetospheres that can reproduce the limit-cycle behavior of pair production and electric field screening. This model includes the effects of a magnetospheric current, the escape of e ± , as well as the dynamic dependence of pair production rate on the plasma density and energy. Using this simple theoretical model, we show that the power spectrum of electric field oscillations averaged over many limit cycles is compatible with the observed pulsar radio spectrum.

Astronomy & Astrophysics↗
NASA NTRS1973

Study and design of cryogenic propellant acquisition systems. Volume 2: Supporting experimental program

Areas of cryogenic fuel systems were identified where critical experimental information was needed either to define a design criteria or to establish the feasibility of a design concept or a critical aspect of a particular design. Such data requirements fell into three broad categories: (1) basic surface tension screen characteristics; (2) screen acquisition device fabrication problems; and (3) screen surface tension device operational failure modes. To explore these problems and to establish design criteria where possible, extensive laboratory or bench test scale experiments were conducted. In general, these proved to be quite successful and, in many instances, the test results were directly used in the system design analyses and development. In some cases, particularly those relating to operational-type problems, areas requiring future research were identified, especially screen heat transfer and vibrational effects.

Burge, G. W.↗
NASA NTRS1979

Analytical models for use in fan inflow control structure design. Inflow distortion and acoustic transmission models

Analytical models were developed to study the effect of flow contraction and screening on inflow distortions to identify qualitative design criteria. Results of the study are that: (1) static testing distortions are due to atmospheric turbulence, nacelle boundary layer, exhaust flow reingestion, flow over stand, ground plane, and engine casing; (2) flow contraction suppresses, initially, turbulent axial velocity distortions and magnifies turbulent transverse velocity distortions; (3) perforated plate and gauze screens suppress axial components of velocity distortions to a degree determined by the screen pressure loss coefficient; (4) honeycomb screen suppress transverse components of velocity distortions to a degree determined by the length to diameter ratio of the honeycomb; (5) acoustic transmission loss of perforated plate is controlled by the reactance of its acoustic impedance; (6) acoustic transmission loss of honeycomb screens is negligible; and (7) a model for the direction change due to a corner between honeycomb panels compares favorably with measured data.

Gedge, M. R.↗
NASA NTRS1981

Effect of a part span variable inlet guide vane on TF34 fan performance

Experimental aerodynamic and performance data were obtained from a TF34 engine. Part span variable inlet guide vanes mounted in front of the fan on the TF34 engine were tested to demonstrate the feasibility of modulating air flow and thrust for vertical takeoff aircraft systems. The fan was mapped to stall for a range of speeds and variable inlet guide were settings. Modulated fan tip performance and unmodulated hub performance were evaluated with a without an extended fan bypass splitter. The effect of a crosswind distortion screen on performance was also evaluated.

Alvarez, J.↗
NASA NTRS1983

Remote Sensing Program

Field spectroradiometric and airborne multispectral scanner data were related to vineyard yield and other agronomic variables in an attempt to determine the optimum wavelengths for yield prediction modeling. Reflections between vine canopy reflectance and several management practices were also considered. Spectral analysis of test vines found that, although some correlations with vine yield were significant, they were inadequate for producing a yield prediction model. The findings also indicate that the vines examined through the field spectroradiometers were not truly representative. Geologic linears identified from aerial photographys, LANDSAT images, and maps were compared to gas well locations in three New York' counties. Correlations were found between the dominant trends in regional liners and gas field boundaries and trends. Other projects being conducted under the grant include determining vegetable acreage in mucklands, site selection for windmills, spectral effects of sulfur dioxide, and screening tomato seedlings for salt tolerance.

Philipson, W. R.↗
NASA NTRS1984

High-pressure hydrogen testing of single crystal superalloys for advanced rocket engine turbopump turbine blades

A screening program to determine the effects of high pressure hydrogen on selected candidate materials for advanced single crystal turbine blade applications is examined. The alloys chosen for the investigation are CM SX-2, CM SX-4C, Rene N-4, and PWA1480. Testing is carried out in hydrogen and helium at 34 MPa and room temperature, with both notched and unnotched single crystal specimens. Results show a significant variation in susceptibility to Hydrogen Environment Embrittlement (HEE) among the four alloys and a marked difference in fracture topography between hydrogen and helium environment specimens.

Alter, W. S.↗