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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Biophysical characterization and surface radiation balance

The Kursk 1991 Experiment (KUREX-91) was conducted as one of a suite of international studies to develop capabilities to monitor global change. The studies were designed specifically to understand the earth's land-surface vegetation and atmospheric boundary layer interaction. An intensive field campaign was conducted at a site near Kursk, Russia during the month of July in 1991 by a team of international scientists to aid in the understanding of land-surface-atmosphere interactions in an agricultural/grassland setting. We were one of several teams of scientists participating at KUREX-91 at the Streletskaya Steppe Researve near Kursk, Russia. The main goals of our research were to: (1) characterize biophysical properties of the prairie vegetation; and (2) to characterize radiation regime through measurements and from estimates derived from canopy bidirectional reflectance data. Four objectives were defined to achieve these goals: (1) determine dependence of leaf optical properties on leaf water potential of some dominant species in discrete wavebands in the visible, near-infrared, and mid-infrared (spanning 0.4-2.3 microns range); (2) characterize the effective leaf area index (LAI) and leaf angle distribution of prairie vegetation; (3) characterize the radiation regime of the prairie vegetation through measures of the radiation balance components; and (4) examine, develop, and test methods for estimating albedo, APAR, and LAI from canopy bidirectional reflectance data. Papers which were the result of the research efforts are included.

Walter-Shea, Elizabeth A.↗
DOE OSTI2026

pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis

We introduce pyEF, a software package for computing molecular electric fields, electrostatic interaction energies, and electrostatic potentials from quantum mechanical (QM) atom-centered multipole expansions with atom-wise decomposable contributions. We demonstrate the computational efficiency and accuracy of this QM-derived electric field evaluation tool through several tests. To assess the influence of the underlying QM method and charge partitioning scheme on these electrostatic quantities, we analyze over 250 configurations of an acetone solute molecule in five solvents of variable polarity. We find that electric field calculations are highly sensitive to the choice of charge partitioning method. Even among real-space charge schemes, acetone Stark tuning rates differ by up to a factor of 2. Benchmarking computed solvent dipole moments against experimental bulk values, we conclude that the CM5, ADCH, and Hirshfeld-I charge schemes most reliably capture solvent electrostatics and therefore provide a more faithful foundation for computing electric fields. When constructed from these real-space charges, electric fields are nearly insensitive to basis set size and monotonically increase in magnitude with higher Fock exchange. We also demonstrate efficient convergence of QM electrostatics when more distant molecules are represented solely by MM point charges, reducing computational overhead. Leveraging these findings, we demonstrate the use of pyEF to deduce environmental effects on a transition metal complex from a Ga 4 L 6 12– nanocage and quantify the dominant role of organic linkers in orchestrating electrostatic preorganization.

electric fields↗
NASA NTRS1993

Nucleation of the diamond phase in aluminium-solid solutions

Precipitation was studied from fcc solid solutions with silicon, germanium, copper and magnesium. Of all these elements only silicon and germanium form diamond cubic (DC) precipitates in fcc Al. Nucleation of the DC structure is enhanced if both types of atom are dissolved in the fcc lattice. This is interpreted as due to atomic size effects in the prenucleation stage. There are two modes of interference of fourth elements with nucleation of the DC phase in Al + Si, Ge. The formation of the DC phase is hardly affected if the atoms (for example, copper) are rejected from the (Si, Ge)-rich clusters. If additional types of atom are attracted by silicon and/or germanium, DC nuclei are replaced by intermetallic compounds (for example Mg2Si).

Hornbogen, E.↗
DOE OSTI2025

Twin nucleation and growth in hexagonal close-packed metals: The role of slip-mediated plasticity on twin embryo formation and evolution

Twinning is a key deformation mechanism in hexagonal close-packed (hcp) metals, which are typified by a lack of easily activated slip systems that can accommodate a general state of loading. Pragmatically, the nucleation and evolution of twin domains occurs concomitantly with slip, such that the eventual twin network is conditioned by both external and internal stresses resulting, among others, from the evolution of dislocations. However our understanding of the interplay between dislocations, and twin nucleation and stability remains limited. This work focuses on elucidating the influence of dislocation-mediated plasticity on the formation, growth, and stability of twin embryos. First, a new mesoscale spectral crystal plasticity-twinning framework is developed and used to quantify the change in the free energy landscape following the nucleation {$10\bar{1}2$} of twins in Mg. Representative twin morphologies are modeled under conditions of limited and profuse slip activity, which are emulative of small- and bulk-scale samples, respectively. Then, the driving traction profiles around twin embryos are investigated via a sharp interface approach to obtain insights into how concurrent slip-mediated plasticity can influence the growth/stabilization of nanometric twins. The driving traction profiles are further utilized to determine the stability of twin embryos post loading. The initial dislocation density in the samples, and within the different domains (i.e., twin vs. parent), is seen to have a significant effect on the twin nucleation stress. Namely, the activation of high levels of concomitant plasticity in the parent grain is seen to significantly drive the formation of nanometric twin nuclei at stresses as low as 250 MPa. Further, the sharp interface analysis reveals that profuse plasticity in the parent grain simultaneously alters the forward and back stresses, such that the magnitude/polarity of the driving tractions become increasingly favorable for nanometric twin growth when slip is active. Finally, prior plasticity in the parent grain is seen to result in favorable driving tractions for nanometric twin growth, even at applied stresses as low as ~ 100 MPa. In conclusion, these results are in stark contrast to a case without any dislocations, wherein applied stresses as high as ~ 500 MPa are necessary to grow the twin domains.

36 MATERIALS SCIENCE↗
NASA NTRS2022

Modeling and Performance Analysis of the LUVOIR Coronagraph Instrument

Future space missions such as the Large UV/Optical/Infrared Surveyor (LUVOIR) and the Habitable Exoplanet Observatory, when equipped with coronagraphs with active wavefront control to suppress starlight, will allow the discovery and characterization of habitable exoplanets. The Extreme Coronagraph for Living Planetary Systems (ECLIPS) is the coronagraph instrument on the LUVOIR Surveyor mission concept, an 8- to 15-m segmented telescope. ECLIPS is split into three channels, namely, UV (200 to 400 nm), optical (400 to 850 nm), and near IR (850 nm to 2 μm), with each channel equipped with two deformable mirrors for wavefront control, a suite of coronagraph masks, a low-order/out-of-band wavefront sensor, and separate science imagers and spectrographs. The apodized pupil Lyot coronagraph and the vector vortex coronagraph are the baselined mask technologies for ECLIPS to enable the required 10−10 contrast for observations in the habitable zones of nearby stars for LUVOIR-A (15-m telescope) and LUVOIR-B (8-m telescope), respectively. Their performance depends on active wavefront sensing and control, as well as metrology subsystems to compensate for aberrations induced by segment errors (e.g., piston and tip/tilt), secondary mirror misalignment, and global low-order wavefront errors. Here, we present the latest results of the simulation of these effects for the LUVOIR coronagraph instrument and discuss the achieved contrast for exoplanet detection and characterization after closed-loop wavefront estimation and control algorithms have been applied. Finally, we show simulated observations using high-fidelity spatial and spectral input models of complete planetary systems generated with the Haystacks code framework.

Roser Juanola-Parramon↗
DOE OSTI2023

A Quantum-mechanical Treatment of Electron Broadening in Strong Magnetic Fields

Abstract Spectral line-shape fitting is an extremely useful tool in determining the gravity of white dwarf stars. This method is so far limited to nonmagnetic white dwarfs largely because the theory of line broadening in high magnetic fields is not as complete as in the nonmagnetic case. Current Stark+Zeeman models treat plasma particles classically and ignore the motion of the nucleus. We develop the formalism for a quantum-mechanical treatment of the perturbing electrons and include the nuclear motion as part of the broadening and explore their relative importance. The conditions we explore are those found in white dwarf and neutron star atmospheres. We find that, contrary to previous studies, the quantized perturbing electrons create more broadening than perturbers on a straight-path trajectory. Additionally, the quantization of the plasma electrons gives rise to resonances away from the line center. The nuclear motion creates an additional electric field, which also leads to an increase in line broadening; however, this effect in neutron star atmospheres is not as large as previously estimated. This suggests that neutron star spectral lines are sensitive to density and that their mass and radius can be obtained from spectral line fitting, which would help constrain the neutron star equation of state.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Strong, Nonresonant Radiation Enhances Cis–Trans Photoisomerization of Stilbene in Solution

Previously, it has been demonstrated that external electric fields may be used to exert control over chemical reactivity. In this paper, the impact of a strong, nonresonant IR field (1064 nm) on the photoisomerization of cis-stilbene is investigated in cyclohexane solution. The design of a suitable reaction vessel for characterization of this effect is presented. The electric field supplied by the pulsed, near-IR radiation (ε 1 = 4.5 × 10 7 V/cm) enhances the cis → trans photoisomerization yield at the red edge of the absorption spectrum (wavelengths between 337 and 340 nm). Within the microliter focal volume, up to 75% of all cis-stilbene molecules undergo isomerization to trans-stilbene in the strong electric-field environment, indicating a significant increase relative to the 35% yield of trans-stilbene under field-free conditions. This result correlates with a 1–3% enhancement in the trans-stilbene concentration throughout the bulk solution. Theoretical analysis suggests that the observed change is the result of dynamic Stark shifting of the ground and first excited states, leading to a significant redshift in cis-stilbene’s absorption spectrum. The predicted increase in the absorption cross section in this range of excitation wavelengths is qualitatively consistent with the experimental increase in trans-stilbene production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Heat Based Power Augmentation for Modular Pumped Hydro Storage in Smart Buildings Operation

In the U.S., building sector is responsible for around 40% of total energy consumption and contributes about 40% of carbon emissions since 2012. Within the past several years, various optimization models and control strategies have been studied to improve buildings energy efficiency and reduce operational expenses under the constraints of satisfying occupants’ comfort requirements. However, the majority of these studies consider building electricity demand and thermal load being satisfied by unidirectional electricity flow from the power grid or on-site renewable energy generation to electrical and thermal home appliances. Opportunities for leveraging low grade heat for electricity have largely been overlooked due to impracticality at small scale. In 2016, a modular pumped hydro storage technology was invented in Oak Ridge National Laboratory, named Ground Level Integrated Diverse Energy Storage (GLIDES). In GLIDES, employing high efficiency hydraulic machinery instead of gas compressor/turbine, liquid is pumped to compress gas inside high-pressure vessel creating head on ground-level. This unique design eliminates the geographical limitation associated with existing state of the art energy storage technologies. It is easy to be scaled for building level, community level and grid level applications. Using this novel hydro-pneumatic storage technology, opportunities for leveraging low-grade heat in building can be economical. In this research, the potential of utilizing low-grade thermal energy to augment electricity generation of GLIDES is investigated. Since GLIDES relies on gas expansion in the discharge process and the gas temperature drops during this non-isothermal process, available thermal energy, e.g. from thermal storage, Combined Cooling, Heat and Power system (CCHP), can be utilized by GLIDES to counter the cooling effect of the expansion process and elevate the gas temperature and pressure and boost the roundtrip efficiency. Several groups of comparison experiments have been conducted and the experimental results show that a maximum 12.9% cost saving could be achieved with unlimited heat source for GLIDES, and a moderate 3.8% cost improvement can be expected when operated coordinately with CCHP and thermal energy storage in a smart building.

Chen, Yang↗
DOE OSTI2024

Advances in laser-based bremsstrahlung x-ray sources. I. Optimizing laser-accelerated electrons

In this work, we have performed a suite of kinetic simulations of relativistic laser–plasma interaction under settings relevant to recent and planned experiments on a variety of laser systems. The goal of the study is to illuminate the physics of laser–target coupling and to provide guidance for how to optimize these sources for applications. It is shown that the production of relativistic electrons is maximized when conditions of relativistic induced transparency (RIT) in dense plasmas can be achieved over a large interaction volume at the time of arrival of most intense part of the laser pulse. RIT is shown to enhance both the numbers of relativistic electrons and the energies of the electrons, leading to an increased x-ray dose. A variety of approaches to enhancing laser–target coupling are considered. These include optimizing the effects of low-density pre-plasma (arising either from finite laser pedestal or from the use of foam coatings) and of modifying the laser focusing geometry to reduce effects of filamentation and self-focusing. Evidence of a novel approach to achieving stable laser propagation over distances of tens of micrometers in a plasma gradient is also presented. These conditions coincide with plasma and laser conditions explored in recent experiments on the Omega EP laser system and compare favorably with an analytic criterion for stable laser propagation in relativistically underdense plasma obtained from a nonlinear Wentzel–Kramers–Brillouin analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Coupled Heat Power Operation of Smart Buildings via Modular Pumped Hydro Storage

In the United States, building sector is responsible for around 40% of total energy consumption and contributes about 40% of carbon emissions since 2012. Within the past several years, various optimization models and control strategies have been studied to improve buildings’ energy efficiency and reduce operational expenses under the constraints of satisfying occupants’ comfort requirements. However, the majority of these studies consider building electricity demand and thermal load being satisfied by unidirectional electricity flow from the power grid or on-site renewable energy generation to electrical and thermal home appliances. Opportunities for leveraging low-grade heat for electricity have largely been overlooked due to impracticality at small scale. In 2016, a modular pumped hydro storage technology was invented in Oak Ridge National Laboratory, named Ground Level Integrated Diverse Energy Storage (GLIDES). In GLIDES, employing high-efficiency hydraulic machinery instead of gas compressor/turbine, liquid is pumped to compress gas inside high-pressure vessel creating head on ground level. This unique design eliminates the geographical limitation associated with the existing state-of-the-art energy storage technologies. It is easy to be scaled for building level, community level, and grid level applications. By using this novel hydro-pneumatic storage technology, opportunities for leveraging low-grade heat in building can be economical. In this research, the potential of utilizing low-grade thermal energy to augment electricity generation of GLIDES is investigated. Since GLIDES relies on gas expansion in the discharge process and the gas temperature drops during this non-isothermal process, available thermal energy, e.g., from thermal storage, combined cooling, heat and power system (CCHP), can be utilized by GLIDES to counter the cooling effect of the expansion process and elevate the gas temperature and pressure and boost the roundtrip efficiency. Here, several groups of comparison experiments have been conducted, and the experimental results show that a maximum 12.9% cost saving could be achieved with unlimited heat source for GLIDES, and a moderate 3.8% cost improvement can be expected when operated coordinately with CCHP and thermal energy storage in a smart building.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1987

Visual enhancements in pick-and-place tasks - Human operators controlling a simulated cylindrical manipulator

A teleoperation simulator has been constructed with vector display system, joysticks, and a simulated cylindrical manipulator, in order to quantitatively evaluate various display conditions. The first of two experiments thus conducted investigated the effects of perspective parameter variations on human operators' pick-and-place performance, using a monoscopic perspective display. The second experiment involved visual enhancements of the monoscopic perspective display, by adding a grid and reference lines, by comparison with visual enhancements of a stereoscopic display; results indicate that stereoscopy generally permits superior pick-and-place performance, but that monoscopy nevertheless allows equivalent performance when defined with appropriate perspective parameter values and adequate visual enhancements.

Kim, Won S.↗
NASA NTRS1989

Visual enhancements in pick-and-place tasks: Human operators controlling a simulated cylindrical manipulator

A teleoperation simulator was constructed with vector display system, joysticks, and a simulated cylindrical manipulator, in order to quantitatively evaluate various display conditions. The first of two experiments conducted investigated the effects of perspective parameter variations on human operators' pick-and-place performance, using a monoscopic perspective display. The second experiment involved visual enhancements of the monoscopic perspective display, by adding a grid and reference lines, by comparison with visual enhancements of a stereoscopic display; results indicate that stereoscopy generally permits superior pick-and-place performance, but that monoscopy nevertheless allows equivalent performance when defined with appropriate perspective parameter values and adequate visual enhancements.

Kim, Won S.↗
NASA NTRS1991

An electrograph for measurement of macroscopic electric fields in prominences and flares

An 'electrograph' instrument designed for measurement of macroscopic electric fields in solar plasmas is described, using the polarization dependence of line width in Stark-broadened hydrogen Paschen emission lines. Observations of quiescent prominences and limb chromosphere with the electrograph at the NSO/Sac Peak Evans Coronal Facility provide upper limits of 5-10 V/cm for transverse macroscopic electric fields in these structures, averaged over an area of about 5 x 7 arcsec. Random thermal motions of hydrogen ions across magnetic field lines generate a quasi-static electric field, which should be distinguishable from pressure broadening in the intensely magnetized chromosphere over a sunspot, given an electrograph sensitivity a factor 2-3 better than that achieved here. Future electrograph measurements of limb flares, post-flare loops, and eruptive prominences, even at 5-V/cm sensitivity, could provide a useful new test of reconnection and discharge effects in such dynamic structures.

Moran, T.↗
NASA NTRS2016

End-to-End Assessment of a Large Aperture Segmented Ultraviolet Optical Infrared (UVOIR) Telescope Architecture

Key challenges of a future large aperture, segmented Ultraviolet Optical Infrared (UVOIR) Telescope capable of performing a spectroscopic survey of hundreds of Exoplanets will be sufficient stability to achieve 10^-10 contrast measurements and sufficient throughput and sensitivity for high yield Exo-Earth spectroscopic detection. Our team has collectively assessed an optimized end to end architecture including a high throughput coronagraph capable of working with a segmented telescope, a cost-effective and heritage based stable segmented telescope, a control architecture that minimizes the amount of new technologies, and an Exo-Earth yield assessment to evaluate potential performance. These efforts are combined through integrated modeling, coronagraph evaluations, and Exo-Earth yield calculations to assess the potential performance of the selected architecture. In addition, we discusses the scalability of this architecture to larger apertures and the technological tall poles to enabling it.

Feinberg, Lee↗
DOE OSTI2021

Electric-field-dependent g factor for the ground state of lead monofluoride, PbF

The electric field dependent g–factor and the electron electric dipole moment (eEDM)-induced Stark splittings for the lowest rotational levels of 207,208 PbF are calculated. Observed and calculated Zeeman shifts for 207 PbF are found to be in very good agreement. Furthermore, it is shown that the 207 PbF hyperfine sublevels provide a promising system for the eEDM search and related experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Post-growth annealing effects on charge and spin excitations in ND 2-x Ce x CuO 4

We report a Cu K- and L 3 -edge resonant inelastic x-ray scattering study of charge and spin excitations of bulk Nd 2-x Ce x CuO 4 , with focus on post-growth annealing effects. For the parent compound Nd 2 CuO 4 (x = 0), a clear charge-transfer gap is observed in the as-grown state, whereas the charge excitation spectra indicate that electrons are doped in the annealed state. This is consistent with the observation that annealed thin-film and polycrystalline samples of RE 2 CuO 4 (RE = rare earth) can become metallic and superconducting at sufficiently high electron concentrations without Ce doping. For x = 0.16, a Ce concentration for which it is known that oxygen reduction destroys long-range antiferromagnetic order and induces superconductivity, we find that the high-energy spin excitations of non-superconducting as-grown and superconducting annealed crystals are nearly identical. This finding is in stark contrast to the significant changes in the low-energy spin excitations previously observed via neutron scattering

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of Co-Reactants on Interfacial Oxidation in Atomic Layer Deposition of Oxides on Metal Surfaces

We have examined the ALD of Al 2 O 3 using TMA as the precursor and t-BuOH and H 2 O as the co-reactants, focusing on the effects of the latter on both the ALD process and the possible modification of the underlying substrate. We have employed a quartz-crystal microbalance (QCM) to monitor ALD in situ and in real-time, and the deposited thin films have been characterized using X-ray photoelectron spectroscopy, spectroscopic ellipsometry, and X-ray reflectivity. Growth of thin films of Al 2 O 3 using TMA and either t-BuOH or H 2 O as the co-reactant at T = 285 °C produces thin films of similar physical properties (density, stoichiometry, minimal carbon incorporation), and the growth rate per cycle is similar for the two co-reactants at this temperature. At a lower temperature of T = 120 °C, the behavior is starkly different, where growth occurs with H 2 O but not with t-BuOH. At either process temperature, we find no evidence for significant coverages of a long-lived tert-butoxy species from the reaction of t-BuOH. Deposition of thin films of Al 2 O 3 on metal surfaces of Cu and Co has been examined for evidence of interfacial oxidation. While growth with either co-reactant does not lead to the oxidation of the underlying Cu substrate, use of H 2 O leads to the oxidation of Co, while use of t-BuOH as the co-reactant does not. Thermodynamic factors may affect early stages of growth as Al species will likely scavenge all free O species. In contrast, at later times diffusion of species through the deposited Al 2 O 3 thin film could result in oxidation at the Al 2 O 3 |metal interface, a process that is strongly hindered in the case of t-BuOH due to its size. Furthermore, this observation highlights the importance of the choice of the co-reactant concerning ALD of oxides on metal surfaces.

36 MATERIALS SCIENCE↗