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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dilute carbon in H3S under pressure

Abstract Recently, room temperature superconductivity was measured in a carbonaceous sulfur hydride material whose identity remains unknown. Herein, first-principles calculations are performed to provide a chemical basis for structural candidates derived by doping H 3 S with low levels of carbon. Pressure stabilizes unusual bonding configurations about the carbon atoms, which can be six-fold coordinated as CH 6 entities within the cubic H 3 S framework, or four-fold coordinated as methane intercalated into the H-S lattice, with or without an additional hydrogen in the framework. The doping breaks degenerate bands, lowering the density of states at the Fermi level ( N F ), and localizing electrons in C-H bonds. Low levels of CH 4 doping do not increase N F to values as high as those calculated for $$Im\bar{3}m$$ I m 3 ¯ m -H 3 S, but they can yield a larger logarithmic average phonon frequency, and an electron–phonon coupling parameter comparable to that of R 3 m -H 3 S. The implications of carbon doping on the superconducting properties are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Strain-modulated anisotropic electronic structure in superconducting RuO 2 films

The binary ruthenate, RuO 2 , has been the subject of intense interest due to its itinerant antiferromagnetism and strain-induced superconductivity. The strain mechanism and its effect on the microscopic electronic states leading to the normal and superconducting state, however, remain undisclosed. Here, we investigate highly strained epitaxial (110) RuO 2 films using polarization-dependent oxygen K-edge x-ray absorption spectroscopy (XAS). Through the detection of pre-edge peaks arising from O:2p - Ru:4d hybridization, we uncover the effects of epitaxial strain on the orbital/electronic structure near the Fermi level. Our data show robust strain-induced shifts of orbital levels and a reduction of hybridization strength. Furthermore, we reveal a pronounced in-plane anisotropy of the electronic structure along the [110] / [1$\bar{1}$0] directions naturally stemming from the symmetry-breaking epitaxial strain of the substrate. The B 2g symmetry component of the epitaxially enforced strain breaks a sublattice degeneracy, resulting in an increase of the density of states at the Fermi level (E F ), possibly paving the way to superconductivity. Finally, these results underscore the importance of the effective reduction from tetragonal to orthorhombic lattice symmetry in (110) RuO 2 films and its relevance towards the superconducting and magnetic properties.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Laser selective excitation of a three-level atom - Barium

Development of a theory describing the selective excitation of a three-level atom with a tunable laser. The effects of number density, line widths, and laser parameters on the final populations of the levels are discussed. An experiment is described in which a tunable dye laser is used to pump large numbers of barium atoms into a definite excited state.

Carlsten, J. L.↗
NASA NTRS1999

Effects of Space Flight, Clinorotation, and Centrifugation on the Growth and Metabolism of Escherichia Coli

Previous experiments have shown that space flight stimulates bacterial growth and metabolism. An explanation for these results is proposed, which may eventually lead to improved terrestrial pharmaceutical production efficiency. It is hypothesized that inertial acceleration affects bacterial growth and metabolism by altering the transport phenomena in the cells external fluid environment. It is believed that this occurs indirectly through changes in the sedimentation rate acting on the bacteria and buoyancy-driven convection acting on their excreted by-products. Experiments over a broad range of accelerations consistently supported this theory. Experiments at I g indicated that higher concentrations of excreted by products surrounding bacterial cells result in a shorter lag phase. Nineteen additional experiments simulated 0 g and 0.5 g using a clinostat, and achieved 50 g, 180 g, and 400 g using a centrifuge. These experiments showed that final cell density is inversely related to the level of acceleration. The experiments also consistently showed that acceleration affects the length of the lag phase in a non-monotonic, yet predictable, manner. Additional data indicated that E. coli metabolize glucose less efficiently at hypergravity, and more efficiently at hypogravity. A space-flight experiment was also performed. Samples on orbit had a statistically significant higher final cell density and more efficient metabolism than did ground controls. These results. which were similar to simulations of 0 g using a clinostat, support the theory that gravity only affects bacterial growth and metabolism indirectly, through changes in the bacteria's fluid environment.

Brown, Robert B.↗
DOE OSTI2025

Bayesian model mixing with multireference energy density functional

Reliably predicting nuclear properties across the entire chart of isotopes is important for applications ranging from nuclear astrophysics to superheavy science to nuclear technology. To this day, however, all the theoretical models that can scale at the level of the chart of isotopes remain semiphenomenological. Because they are fitted locally, their predictive power can vary significantly; different versions of the same theory provide different predictions. Bayesian model mixing takes advantage of such imperfect models to build a local mixture of a set of models to make improved predictions. Earlier attempts to use Bayesian model mixing for mass table calculations relied on models treated at single-reference energy density functional level, which fail to capture some of the correlations caused by configuration mixing or the restoration of broken symmetries. In this study we have applied Bayesian model mixing techniques within a multireference energy density functional (MR-EDF) framework. We considered predictions of two-particle separation energies from particle number projection or angular momentum projection with four different energy density functionals—a total of eight different MR-EDF models. We used a hierarchical Bayesian stacking framework with a Dirichlet prior distribution over weights together with an inverse log-ratio transform to enable positive correlations between different models. We found that Bayesian model mixing provides significantly improved predictions compared to the participating models. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1981

Solar observations and atomic data for the 3s2 1s0-3s3p 3P1 transition in S v

High resolution solar observations of the S v intersystem line at 1199.18 A are available from Skylab. This line is potentially useful as a density diagnostic for high density plasmas expected in solar flares. S v lines are also prominent in solar spectra at wavelengths below 1000 A. Collision strengths and radiative decay rates are calculated for levels of the configurations 3 s2, 3s3p, 3p2, and 3s3d. Level populations for the five lowest energy levels have been calculated as a function of electron density. These calculations are carried out assuming the temperature at which S v is most abundant in solar plasmas. The calculated population of the 3s3p 3P1 level reaches a pseudo-Boltzmann equilibrium at a density which is about five times higher than is derived from solar spectra and previous density determinations. It is believed that the discrepancy is due to a significant contribution from resonances to the 3s2-3s3p 3P excitation rate coefficient. It is suggested that the contribution of the resonances to the S v excitation rate coefficient can be estimated from a comparison of the experimental results and the theoretical calculations.

Feldman, U.↗
DOE OSTI2022

Low-temperature thermal properties of Fe-doped Co 3 Sn 2 S 2

Recent studies on Co 3 Sn 2 S 2 usually focus on its electrical and magnetic behaviors as it is a Weyl semimetal, half metal, and anisotropic ferromagnet at the same time. Only a few works looked into its low-temperature thermal characteristics. Here, in this study, we report the low-temperature heat capacity, Seebeck coefficient, and thermal conductivity of Fe-doped Co 3 Sn 2 S 2 , as well as the formation energies, band structures, and spin-polarized density of states calculated by using the spin-polarized relativistic Korringa-Kohn-Rostoker – Green’s function method (sprKKR). The heat capacity data reveal that the sample with a heavier Fe-doping level has a lower Debye temperature and a larger density of states at the Fermi level, the latter confirmed by our ab initio computational results. The Fe-doping increases the absolute value of the Seebeck coefficient at temperatures above 120 K and dramatically suppresses the thermal conductivity. Furthermore, we discuss how the external applied magnetic field affects the Seebeck coefficient and thermal conductivity of pristine Co 3 Sn 2 S 2 . Our findings provide a detailed reference and may stimulate future investigations into the low-temperature thermal transport properties of Co 3 Sn 2 S 2 and other compounds in the shandite family.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Charge density wave and superconductivity competition in Lu 5 Ir 4 Si 10 : A proton irradiation study

Real-space modulated charge density waves (CDW) are a ubiquitous feature in many families of superconductors. In particular, how CDW relates to superconductivity is an active and open question that has recently gathered much interest since CDWs have been discovered in many cuprates superconductors. Here we show that disorder induced by proton irradiation is a full-fledged tuning parameter that can bring essential information to answer this question as it affects CDW and superconductivity with different and unequivocal mechanisms. Specifically, in the model CDW superconductor Lu 5 Ir 4 Si 10 that develops a 1D CDW below 77 K and s-wave superconductivity below 4 K, we show that disorder enhances the superconducting critical temperature T c and H c2 while it suppresses the CDW. Discussing how disorder affects both superconductivity and the CDW, we make a compelling case that superconductivity and CDW are competing for electronic density of states at the Fermi level in Lu 5 Ir 4 Si 10 , and we reconcile the results obtained via the more common tuning parameters of pressure and doping. Owing to its prototypical, 1D, Peierls type CDW and the s-wave, weak-coupling nature of its superconductivity, this irradiation study of Lu 5 Ir 4 Si 10 provides the basis to understand and extend such studies to the more complex cases of density waves and superconductivity coexistence in heavy fermions, Fe-based, or cuprates superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Measurements of density, temperature, and their fluctuations in turbulent supersonic flow using UV laser spectroscopy

Nonintrusive measurements of density, temperature, and their turbulent fluctuation levels were obtained in the boundary layer of an unseeded, Mach 2 wind tunnel flow. The spectroscopic technique that was used to make the measurements is based on the combination of laser-induced oxygen fluorescence and Raman scattering by oxygen and nitrogen from the same laser pulse. Results from this demonstration experiment are compared with previous measurements obtained in the same facility using conventional probes and an earlier spectroscopic technique. Densities and temperatures measured with the current technique agree with the previous surveys to within 3 percent and 2 percent, respectively. The fluctuation amplitudes for both variables agree with the measurements obtained using the earlier spectroscopic technique and show evidence of an unsteady, weak shock wave that perturbs the boundary layer.

Fletcher, Douglas G.↗
NASA NTRS2013

UltraSail CubeSat Solar Sail Flight Experiment

UltraSail is a next-generation, highrisk, high-payoff sail system for the launch, deployment, stabilization, and control of very large (km2 class) solar sails enabling high payload mass fractions for interplanetary and deep space spacecraft. UltraSail is a non-traditional approach to propulsion technology achieved by combining propulsion and control systems developed for formation- flying microsatellites with an innovative solar sail architecture to achieve controllable sail areas approaching 1 km2, sail subsystem area densities approaching 1 g/m2, and thrust levels many times those of ion thrusters used for comparable deep space missions. UltraSail can achieve outer planetary rendezvous, a deep-space capability now reserved for high-mass nuclear and chemical systems. There is a twofold rationale behind the UltraSail concept for advanced solar sail systems. The first is that sail-andboom systems are inherently size-limited. The boom mass must be kept small, and column buckling limits the boom length to a few hundred meters. By eliminating the boom, UltraSail not only offers larger sail area, but also lower areal density, allowing larger payloads and shorter mission transit times. The second rationale for UltraSail is that sail films present deployment handling difficulties as the film thickness approaches one micrometer. The square sail requires that the film be folded in two directions for launch, and similarly unfolded for deployment. The film is stressed at the intersection of two folds, and this stress varies inversely with the film thickness. This stress can cause the film to yield, forming a permanent crease, or worse, to perforate. By rolling the film as UltraSail does, creases are prevented. Because the film is so thin, the roll thickness is small. Dynamic structural analysis of UltraSail coupled with dynamic control analysis shows that the system can be designed to eliminate longitudinal torsional waves created while controlling the pitch of the blades, while using solar photon pressure to slew the spin axis. Vacuum tests have also verified that electrostatic and molecular adhesion forces can substantially be eliminated by making the film electrically conductive, reducing the peel force of the film off the storage roll to levels of 100s of micro-N. The innovation demonstrated the capability of deploying a six-micron aluminum- coated film from a reel through a slit in vacuum. The innovation also demonstrated a spin-stabilized method for deploying a long reel of solar sail film using solar pressure to spin-up and orbit raise the satellite, and also a gravity gradient method for deploying a long reel of solar sail film using solar pressure to orbit raise the satellite. The solar sail mass fraction of 25% is consistent with high specific impulse ion systems, but without the added weight and cost of a power source and processing unit. The large sail area, coupled with low film density, is giving UltraSail a high payload fraction. The UltraSail deployment scheme unrolls a micrometerscale reflection-coated polyimide film from a storage mandrel to a maximum length of several kilometers with the aid of a blade tip satellite.

Carroll, David↗
NASA NTRS1978

A continuously pulsed copper halide laser with a cable-capacitor Blumlein discharge circuit

Experimental characteristics of a continuously pulsed copper halide laser with a cable-capacitor Blumlein discharge circuit are reported. Quartz laser tubes 1 m in length and 1.5 and 2.5 cm in diameter were employed to study the effects of the electrical circuit, lasant, and buffer gas on laser performance. Measured properties of the Blumlein circuit are compared with an analytic solution for an idealized circuit. Both CuCl and CuBr with neon and helium buffer gas were studied. A maximum average power of 12.5 W was obtained with a 1.5 nF capacitor charged to 8 kV and discharged at 31 kHz with CuCl and neon buffer gas at 0.7 kPa in a 2.5-cm-diam tube. A maximum efficiency of 0.72 percent was obtained at 9 W average power. Measurements of the radial distribution of the power in the laser beam and the variation of laser power at 510.6 and 578.2 nm with halide vapor density are also reported. Double and continuously pulsed laser characteristics are compared, and the role of copper metastable level atoms in limiting the laser pulse energy density is discussed.

Nerheim, N. M.↗
NASA NTRS1992

X-ray suppression in gamma-ray bursts through resonant Compton scattering

An X-ray that scatters with an electron in the first Landau level of a strong magnetic field is converted into a gamma ray. This process has a resonant cross section at X-ray energies and is therefore highly likely to occur even when the first Landau level is sparsely populated. Converted X-rays are cyclotron absorbed, maintaining the equilibrium between the cyclotron photon density and the population of the first Landau level. By suppressing a neutron star's black body emission, this mechanism can produce a gamma-ray burst with a low X-ray flux.

Brainerd, J. J.↗
DOE OSTI2020

Wannier–Koopmans method calculations for transition metal oxide band gaps

The widely used density functional theory (DFT) has a major drawback of underestimating the band gaps of materials. Wannier–Koopmans method (WKM) was recently developed for band gap calculations with accuracy on a par with more complicated methods. WKM has been tested for main group covalent semiconductors, alkali halides, 2D materials, and organic crystals. Here we apply the WKM to another interesting type of material system: the transition metal (TM) oxides. TM oxides can be classified as either with d 0 or d 10 closed shell occupancy or partially occupied open shell configuration, and the latter is known to be strongly correlated Mott insulators. We found that, while WKM provides adequate band gaps for the d0 and d10 TM oxides, it fails to provide correct band gaps for the group with partially occupied d states. This issue is also found in other mean-field approaches like the GW calculations. We believe that the problem comes from a strong interaction between the occupied and unoccupied d-state Wannier functions in a partially occupied d-state system. We also found that, for pseudopotential calculations including deep core levels, it is necessary to remove the electron densities of these deep core levels in the Hartree and exchange–correlation energy functional when calculating the WKM correction parameters for the d-state Wannier functions.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Electron-radiation effects on the ac and dc electrical properties and unpaired electron densities of three aerospace polymers

The effects of gigarad-level total absorbed doses from 1-MeV electrons on the post-irradiation alternating-current (ac) and direct-current (dc) electrical properties and the unpaired electron densities have been studied for Kapton, Ultem, and Mylar. The unpaired electron densities (determined from electron paramagnetic resonance spectroscopy) and the dc electrical conductivities of the irradiated materials were monitored as functions of time following the exposures to determine their decay characteristics at room temperature. The elevated-temperature ac electrical dissipations of the Ultem and Mylar were affected by the radiation. The dc conductivity of the Kapton increased by five orders of magnitude, while the dc conductivities of the Ultem and Mylar increased by less than an order of magnitude, due to the radiation. The observed radiation-generated changes in the ac electrical dissipations are explained in terms of known radiation-generated changes in the molecular structures of the three materials. A preliminary model relating the dc electrical conductivity and the unpaired electron density in the Kapton is proposed.

Long, Sheila Ann T.↗
NASA NTRS2002

A study of the refractivity bias in occultation retrievals using end-to-end simulations

Direct Methanol Fuel Cells in portable applications are expected to provide substantially higher energy density and longer operating times over advanced batteries. The time threshold of advantage of using a fuel cell instead of a battery is almost independent of the power level, and is determined by the power density of the fuel cell and its operating efficiency.

GPS↗
NASA NTRS1985

Quenching of the beam-plasma instability by large-scale density fluctuations in 3 dimensions

The highly variable, yet low, level of Langmuir waves measured in situ by spacecraft when electron beams associated with type III solar bursts are passing by are addressed by a model based on the existence of large scale density fluctuations capable of sufficiently diffusing small-k beam-unstable Langmuir waves in phase space. The model is also informed by the presence of a significant isotropic nonthermal tail in the distribution function of the background electron population, which is capable of stabilizing larger k modes. The model is able to predict various levels of Langmuir waves, depending on the parameters; calculations indicate that, for realistic parameters, the most unstable small k modes are fully stabilized, while some oblique mode with higher k and lower growth rate may remain unstable.

Muschietti, L.↗
DOE OSTI2025

Fully thermal meta-GGA exchange correlation free-energy density functional

The application of density functional theory to materials in the warm dense matter regime has motivated the development of exchange-correlation functionals which incorporate proper, explicit temperature dependence. Previous work has yielded fully-thermal exchange-correlation free energy functionals at the local density approximation (LDA) and generalized gradient approximation (GGA) levels of refinement. Recently an additive thermal correction scheme was utilized to construct a meta-GGA exchange-correlation (XC) functional in which thermal effects are treated at the GGA level. Here, the f TSCAN free-energy XC functional presented here includes thermal effects through the meta-GGA level in the context of the SCAN (strongly constrained and appropriately normed) ground-state functional. The f TSCAN functional provides generality while achieving similar performance to a thermal GGA functional at high temperatures, e.g. pressures within 1% of path integral Monte Carlo simulations of warm dense hydrogen, and a significant improvement over ground-state functionals. At low temperatures, f TSCAN demonstrates improvements in accuracy relative to lower-level and deorbitalized functionals, indicating that calculations using f TSCAN may be expected to perform well across experimentally relevant densities and pressures.

36 MATERIALS SCIENCE↗