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At least 199 records · Page 11

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Processing of tungsten through electron beam melting

Additive manufacturing (AM) presents a new design paradigm for the manufacture of engineering materials through the layer-by-layer approach combined with welding theory. In the instance of difficult to process materials such as tungsten and other refractory metals, AM offers an opportunity for radical redesign of critical components for next-generation energy technologies including fusion. In this work, electron beam powder bed fusion (EB-PBF) is applied to process pure tungsten to study the influence of process parameters on the defect density of the material. Here, an in-situ image analysis algorithm is applied to pure tungsten for the first time, and is used to visualize the defect structure in AM tungsten. Finally, a cracking mechanism for AM tungsten is proposed, and suggestions for suppression of cracks in pure tungsten are offered.

36 MATERIALS SCIENCE↗

DOE OSTI2020

When do hydrocarbons dewet metal surfaces? The case of coronene on Cu(111)

Here, we have used scanning tunneling microscopy and density functional theory calculations to study molecular layers of coronene on Cu(111). The structure and stability of these layers is determined by the balance between coronene-substrate and coronene-coronene interactions. Here, we characterize this balance by measuring the maximum coverage before coronene dewets the substrate to form three-dimensional islands. We find that coronene molecules lie parallel to the substrate at the maximum coverage, in contrast to previous observations of tilted coronene on metal surfaces. We attribute this previously reported tilt to a metastability caused by an activation barrier to nucleate three-dimensional islands.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Anionic Oxygen Redox in the High-Lithium Material Li 8 SnO 6

Lithiated transition metal oxide cathode materials that combine oxygen-anion redox [O 2 – /(O 2 ) n– ] with cation redox offer substantial capacities and higher voltage than cathodes without oxygen redox, but oxygen-anion redox is usually accompanied by the formation of peroxo or superoxo species that may cause oxygen release. To clarify the relationship between the oxygen release and peroxide and superoxide dimers without the complication of transition-metal redox, we performed density functional theory calculations to study the layered Li 8 SnO 6 cathode because it has only oxygen-anion redox during delithiation. Features with O–O distances of ~1.5 Å (corresponding to the formation of a peroxide) were observed at 75% lithium concentration, and further delithiation to 62.5% lithium concentration shortened the O–O bond distance to ~1.3 Å (corresponding to the formation of superoxide). The solely anionic oxygen redox stabilizes the delithiated structure of Li 8–x SnO 6 , and it does not cause structural disorder or release oxygen gas. Ab initio molecular dynamics calculations in the supercell at 300 K indicate that oxygen dimerization may occur at 75% lithium concentration. On the (0001) surface with a high lithium concentration (98%), oxygen dimerization is unfavorable. The calculations by HSE06 show that oxygen redox in Li 8 SnO 6 offers an initial voltage (vs Li/Li + ) greater than 4.2 V. The GGA+U calculations indicate that the Li + -polaron in Li 95 Sn 12 O 72 migrates with a migration barrier of only 0.43 eV. Here, this work also quantifies a solely anionic oxygen redox mechanism in Li 8 SnO 6 , and it provides a deeper understanding of anionic oxygen redox in Li-excess oxide cathode materials.

25 ENERGY STORAGE↗

DOE OSTI2023

Design of Atomic Ordering in Mo 2 Nb 2 C 3 T x MXenes for Hydrogen Evolution Electrocatalysis

The need for novel materials for energy storage and generation calls for chemical control at the atomic scale in nanomaterials. Ordered double-transition-metal MXenes expanded the chemical diversity of the family of atomically layered 2D materials since their discovery in 2015. However, atomistic tunability of ordered MXenes to achieve ideal composition-property relationships has not been yet possible. In this study, we demonstrate the synthesis of Mo 2+α Nb 2-α AlC 3 MAX phases (0 ≤ α ≤ 0.3) and confirm the preferential ordering behavior of Mo and Nb in the outer and inner M layers, respectively, using density functional theory, Rietveld refinement, and electron microscopy methods. We also synthesize their 2D derivative Mo 2+α Nb 2-α C 3 T x MXenes and exemplify the effect of preferential ordering on their hydrogen evolution reaction electrocatalytic behavior. In conclusion, this study seeks to inspire further exploration of the ordered double-transition-metal MXene family and contribute composition-behavior tools toward application-driven design of 2D materials.

2D materials↗

DOE OSTI2020

Identifying materials with charge–spin physics using charge–spin susceptibility computed from first principles

The authors present a quantity termed charge–spin susceptibility, which measures the charge response to spin degrees of freedom in strongly correlated materials. This quantity is simple to evaluate using both standard density functional theory and many-body electronic structure techniques, enabling comparison between different levels of theory. A benchmark on 28 layered magnetic materials shows that large values of charge–spin susceptibility correlate with unconventional ground states such as disordered magnets and unconventional superconductivity.

Rodrigues, J. N. B. (ORCID:0000000283158553)↗

DOE OSTI2023

Work function lowering of LaB 6 by monolayer hexagonal boron nitride coating for improved photo- and thermionic-cathodes

We report a lowering of work function for lanthanum hexaboride (LaB 6 ) by monolayer hexagonal boron nitride (hBN) coating. Photoemission electron microcopy (PEEM) and thermionic emission electron microscopy (TEEM) both revealed that the hBN coated region of a LaB 6 (100) single crystal has a lower work function compared to the bare (i.e., non-coated) and graphene coated regions. A broad and uniform brighter image of the hBN coated region in PEEM was quantitatively supported by a 0.4 eV decrease in the work function in photoelectron spectra compared to the bare region. TEEM results were consistent in that the hBN coated region exhibited thermionic emission at 905 °C, whereas the bare and graphene coated regions did not. A larger decrease in the work function for hBN coated LaB 6 (100) compared to graphene coated LaB 6 (100) was qualitatively supported by our density functional theory calculations. Adding an oxide layer in the calculations improved consistency between the calculation and experimental results. We followed up our calculations with synchrotron-radiation x-ray photoelectron spectroscopy and confirmed the presence of an oxide layer on our LaB 6 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1967

Distribution of sodium in the daytime upper atmosphere as measured by a rocket experiment.

Free atomic sodium distribution in daytime upper atmosphere, noting thin layer formation and radiative transfer theory

PHOTOCHEMICAL REACTION↗

NASA NTRS1972

Microwave emission from geological materials - Observations of interference effects.

Microwave radiometric field observations were conducted at wavelengths of 21, 2.8, and 0.95 cm to determine the microwave penetration depth of a number of sands and gravels as a function of particle size and moisture content. Observations of a reflecting plate covered with varying thicknesses of test material exhibit a pronounced oscillatory behavior that is consistent with established electromagnetic theory for plane-parallel layered mediums. Utilization of this interference effect is proposed as a microwave radiometric technique for determining the bulk electrical properties of geologic materials, snow, ice, and other materials readily adapted to layering experiments.

Blinn, J. C., III↗

NASA NTRS1979

Solid Convection in the Terrestrial Planets; Workshop, NASA Ames Research Center, Moffett Field, Calif., December 12, 13, 1977, Review Papers and Contributions

Review papers and specific contributions on the subject of convection in the solid interiors of the terrestrial planets and planetary evolution are presented. Geophysical observations of solid-state convection in the terrestrial planets are reviewed, along with the theory of convection in a layer with a high Prandtl number and numerical approaches to the calculation of convection in planetary interiors. Other papers treat the formation, history and energetics of terrestrial planet cores, the effects of convection on lunar thermal history and the relation between the height of mountains on Venus and the creep properties of Venusian rocks.

Cassen, P.↗

NASA NTRS1989

Dynamics of the middle atmosphere in winter (Dynamics). Interrelation between the different variations of turbulent diffusion and ionospheric absorption originating in the middle atmosphere

The turbulent diffusion coefficient was computed from the parameters of sporadic E layers using the wind shear theory of midlatitude sporadic E and models of the ionosphere as well as that of the neutral upper atmosphere. The turbulent diffusion coefficient obtained for the period of circulation disturbances associated with stratospheric warmings and for the intervals of the winter anomaly indicate changes similar to the ionospheric absorption of radio waves, in the former case decreased, in the latter case increased values. This may hit at the role of turbulent transport in the formation of these anomalies. On the basis of these findings, a seasonal variation of the turbulent diffusion coefficient having a minimum in summer and an increase of this parameter with increasing geomagnetic activity are anticipated.

Bencze, P.↗

NASA NTRS1989

'Hypersonic slip flows' and issues on extending continuum model beyond the Navier-Stokes level

Results of a direct simulation Monte Carlo method for a hypersonic flow about a flat plate at a 40 deg angle of attack have been compared with corresponding results from a theory for fully viscous shock layers (FVSLs). Using the 13-moment equations for a Maxwell gas, it is demonstrated that nonequilibrium and equilibrium FVSL flows can be correlated. With the exception of the pressure density, most of the flow properties along a streamline (including heat flux and shear and normal stresses) are correctly predicted to leading order by the Navier-Stokes model.

Cheng, H. K.↗

NASA NTRS1994

Nonlinear stability of oscillatory core-annular flow: A generalized Kuramoto-Sivashinsky equation with time periodic coefficients

In this paper the nonlinear stability of two-phase core-annular flow in a pipe is examined when the acting pressure gradient is modulated by time harmonic oscillations and viscosity stratification and interfacial tension is present. An exact solution of the Navier-Stokes equations is used as the background state to develop an asymptotic theory valid for thin annular layers, which leads to a novel nonlinear evolution describing the spatio-temporal evolution of the interface. The evolution equation is an extension of the equation found for constant pressure gradients and generalizes the Kuramoto-Sivashinsky equation with dispersive effects found by Papageorgiou, Maldarelli & Rumschitzki, Phys. Fluids A 2(3), 1990, pp. 340-352, to a similar system with time periodic coefficients. The distinct regimes of slow and moderate flow are considered and the corresponding evolution is derived. Certain solutions are described analytically in the neighborhood of the first bifurcation point by use of multiple scales asymptotics. Extensive numerical experiments, using dynamical systems ideas, are carried out in order to evaluate the effect of the oscillatory pressure gradient on the solutions in the presence of a constant pressure gradient.

Coward, Adrian V.↗

NASA NTRS1987

Compression of oceanic lithosphere - An analysis of intraplate deformation in the Central Indian Basin

The development of intraplate structure in the Central Indian Basin is examined using models in which deformation is due to flexural buckling and the hydrodynamic growth of instabilities. Comparison of the models reveal that in a strong viscous lithosphere, deformation of the layer occurs by flexural folding at a wavelength which corresponds to the flexural buckling theory; in a lithosphere of intermediate strength, the layer deforms by folding characterized by thickening which localizes beneath topographic heights; and in a relatively weak lithosphere, the layer incurs an even greater amount of localized thickening and deforms in the symmetric or pinch-and-swell mode by inverse boudinage. It is noted that the models in which the layer folds either flexurally or with periodic thickening correspond with observed depth distribution of seismicity in the Central Indian Basin and with experimental rock rheological data.

Zuber, Maria T.↗

NASA NTRS1990

Modern developments in shear flow control with swirl

Passive and active control of swirling turbulent jets is experimentally investigated. Initial swirl distribution is shown to dominate the free jet evolution in the passive mode. Vortex breakdown, a manifestation of high intensity swirl, was achieved at below critical swirl number (S = 0.48) by reducing the vortex core diameter. The response of a swirling turbulent jet to single frequency, plane wave acoustic excitation was shown to depend strongly on the swirl number, excitation Strouhal number, amplitude of the excitation wave, and core turbulence in a low speed cold jet. A 10 percent reduction of the mean centerline velocity at x/D = 9.0 (and a corresponding increase in the shear layer momentum thickness) was achieved by large amplitude internal plane wave acoustic excitation. Helical instability waves of negative azimuthal wave numbers exhibit larger amplification rates than the plane waves in swirling free jets, according to hydrodynamic stability theory. Consequently, an active swirling shear layer control is proposed to include the generation of helical instability waves of arbitrary helicity and the promotion of modal interaction, through multifrequency forcing.

Farokhi, Saeed↗

NASA NTRS1990

Modern developments in shear flow control with swirl

Farokhi, S.↗

NASA NTRS2005

Second-order multiple-scattering theory associated with backscattering enhancement for a millimeter wavelength weather radar with a finite beam width

Effects of multiple scattering on reflectivity are studied for millimeter wavelength weather radars. A time-independent vector theory, including up to second-order scattering, is derived for a single layer of hydrometeors of a uniform density and a uniform diameter. In this theory, spherical waves with a Gaussian antenna pattern are used to calculate ladder and cross terms in the analytical scattering theory. The former terms represent the conventional multiple scattering, while the latter terms cause backscattering enhancement in both the copolarized and cross-polarized components. As the optical thickness of the hydrometeor layer increases, the differences from the conventional plane wave theory become more significant, and essentially, the reflectivity of multiple scattering depends on the ratio of mean free path to radar footprint radius. These results must be taken into account when analyzing radar reflectivity for use in remote sensing.

radar reflectivity↗

NASA NTRS1994

The effects of Kelvin-Helmholtz instability on resonance absorption layers in coronal loops

One of the long-standing uncertainties in the wave-resonance theory of coronal heating is the stability of the resonance layer. The wave motions in the resonance layer produce highly localized shear flows which vary sinusoidally in time with the resonance period. This configuration is potentially susceptible to the Kelvin-Helmholtz instability (KHI), which can enhance small-scale structure and turbulent broadening of shear layers on relatively rapid ideal timescales. We have investigated numerically the response of a characteristic velocity profile, derived from resonance absorption models, to finite fluid perturbations comparable to photospheric fluctuations. We find that the KHI primarily should affect long (approximately greater than 6 x 10(exp 4) km) loops where higher velocity flows (M approximately greater than 0.2) exist in resonance layers of order 100 km wide. There, the Kelvin-Helmholtz growth time is comparable to or less than the resonance quarter-period, and the potentially stabilizing magnetic effects are not felt until the instability is well past the linear growth stage. Not only is the resonance layer broadened by the KHI, but also the convective energy transport out of the resonance layer is increased, thus adding to the efficiency of the wave-resonance heating process. In shorter loops, e.g., those in bright points and compact flares, the stabilization due to the magnetic field and the high resonance frequency inhibit the growth of the Kelvin-Helmholtz instability beyond a minimal level.

Karpen, Judith T.↗

NASA NTRS2018

Coordinated Satellite Observations of the Very Low Frequency Transmission Through the Ionospheric D Layer at Low Latitudes, Using Broadband Radio Emissions from Lightning

Both ray theory and full-wave models of very low frequency transmission through the ionospheric D layer predict that the transmission is greatly suppressed near the geomagnetic equator. We use data from the low-inclination Communication/Navigation Outage Forecast System satellite to test this semiquantitatively, for broadband very low frequency emissions from lightning. Approximate ground-truthing of the incident wavefields in the Earth-ionosphere waveguide is provided by the World Wide Lightning Location Network. Observations of the wavefields at the satellite are provided by the Vector Electric Field Instrument aboard the satellite. The data set comprises whistler observations with the satellite at magnetic latitudes<26deg. Thus, our conclusions, too, must be limited to the near-equatorial region and are not necessarily predictive of midlatitude whistler properties. We find that in most broadband recordings of radio waves at the satellite, very few of the lightning strokes result in a detectable radio pulse at the satellite. However, in a minority of the recordings, there is enhanced transmission of very low frequency lightning emissions through the D layer, at a level exceeding model predictions by at least an order of magnitude. We show that kilometric-scale D-layer irregularities may be implicated in the enhanced transmission. This observation of sporadic enhancements at low magnetic latitude, made with broadband lightning emissions, is consistent with an earlier review of D-layer transmission for transmission from powerful man-made radio beacons.

Jacobson, Abram R.↗