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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

An atomistic mechanism study of GaN step-flow growth in vicinal m -plane orientations

We present elucidation of homoepitaxial growth mechanisms on vicinal non-polar surfaces of GaN that is highly important for gaining an understanding of and control thin film surface morphology and properties. Using first-principles calculations, we study the step-flow growth in m-plane GaN based on atomic row nucleation and kink propagation kinetics. Ga–N dimer adsorption onto the m-plane is energetically more favorable than that of Ga and N isolated adatoms. Therefore, we have treated the dimers as the dominant growth species attached to the step edges. By calculating the free energies of sequentially attached Ga–N dimers, we have elucidated that the a-step edge kink growth proceeds by parallel attachment rather than by across the step edge approach. We found a series of favorable configurations of kink propagation and calculated the free energy and nucleation barriers for kink evolution on five types of step edges (a, +c, -c, +a + c, and -a - c). By changing the chemical potential μGa and the excess chemical potential Δμ, the growth velocities at the five types of edges are controlled by the corresponding kink pair nucleation barrier E* in their free energy profiles. To explore the kink-flow growth instability observed at different Ga/N flux ratios, calculations of kink pairs on the incompact -c and +c-step edges are further performed to study their formation energies. Variations of these step edge morphologies with a tuned chemical environment are consistent with previous experimental observations, including stable diagonal ±a ± c-direction steps. In conclusion, our work provides a first-principles approach to explore step growth and surface morphology of the vicinal m-plane GaN, which is applicable to analyze and control the step-flow growth of other binary thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Momentum conservation in current drive and alpha-channeling-mediated rotation drive

Alpha channeling uses waves to extract hot ash from a fusion plasma, transferring energy from the ash to the wave. It has been proposed that this process could create a radial electric field, efficiently driving E × B rotation. However, existing theories ignore the nonresonant particles, which play a critical role in enforcing momentum conservation in quasilinear theory. Because cross field charge transport and momentum conservation are fundamentally linked, this non-consistency throws the rotation drive into question. This paper has two main goals. First, we provide a pedantic and cohesive introduction to the recently developed simple, general, self-consistent quasilinear theory for electrostatic waves that explains the torques which allow for current drive parallel to the magnetic field, and charge extraction across it; a theory that has largely resolved the question of rotation drive by alpha channeling. We show how the theory reveals a fundamental difference between the reaction of nonresonant particles to plane waves that grow in time vs steady-state waves that have a nonuniform spatial structure, allowing rotation drive in the latter case while precluding it in the former, and we review the local and global conservation laws that lead to this result. Second, we provide two new results in support of the theory. First, we provide a novel two-particle Hamiltonian model that rigorously establishes the relationship between charge transport and momentum conservation. Second, we compare the new quasilinear theory to the oscillation-center theories of ponderomotive forces, showing how the latter often obscure the time-dependent nonresonant recoil, but ultimately lead to similar results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Spin-flop Phase in a Honeycomb Antiferromagnet Mn 0.84 Mg 0.16 TiO 3

The spin-flop phase of a honeycomb antiferromagnet of Mn 0.84 Mg 0.16 TiO 3 has been studied under magnetic field along normal direction to the honeycomb plane by neutron scattering. With increasing a magnetic field from 0 to 5 T, the inelastic scattering intensity increased by 1.5 times at (1 0 0), where the magnetic structure was found to be collinear-antiferromagnet with the spin parallel to [1 1 0] direction. The spin direction is consistent with a 1.5 times increase of the inelastic intensity. Furthermore, the negligible energy difference between K and K' points suggests small values for both Dzyaloshinskii–Moriya interaction and bond-dependent symmetric anisotropic exchange interaction in this material.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1979

Heliostat for astronomical usage

The design of a heliostat is presented. The invention consists of a mechanical polar axis which can rotate and which is parallel to the world axis. A mirror is supported in such a way that it can be rotated arbitrarily around a declination axis which is perpendicular to it. After execution of this rotation, the mirror can be clamped in the plane of the world axis, which can be corrected and verified by special collimation directions. The clockwork or drive unit can be driven for a 24 or 48 hour complete rotation of the axis using any known device such as switchable gears, without changing its regular variation related to stellar time or mean solar time.

Heyde, G.↗
NASA NTRS1994

Regulation of the solar wind electron heat fluxfrom 1 to 5 AU: Ulysses observations

In this study we use observations from the three-dimensional electron spectrometer and magnetometer aboard the Ulysses spacecraft to examine the solar wind electron heat flux from 1.2 to 5.4 AU in the ecliptic plane. Throughout Ulusses' transit to 5.4 AU, the electron heat flux decreases more rapidly (approximately R(exp -30)) than simple collisionless expansion along the local magnetic field and is smaller than expected for a thermal gradient heat flux, q(sub parallel e) (r) = - Kappa(sub parallel) del(sub parallel) T(sub e)(r). The radial gradients and magnitudes expected for a number of electron heat flux regulatory mechanisms are examined and compared to the observations. The best agreement is found for heat flux regulation by the whistler heat flux instability. The upper bound and radial scaling for the electron heat flux predicted for the whistler heat flux instability are consistent with the observations.

Scime, Earl E.↗
DOE OSTI2019

DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations

We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching ~100,000 electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local real-space variational formulation of the Kohn-Sham DFT energy functional that is discretized using a higher-order adaptive spectral finite-element (FE) basis, and treats pseudopotential and all-electron calculations in the same framework, while accommodating non-periodic, semi-periodic and periodic boundary conditions. We discuss the main aspects of the code, which include, the various strategies of adaptive FE basis generation, and the different approaches employed in the numerical implementation of the solution of the discrete Kohn-Sham problem that are focused on significantly reducing the floating point operations, communication costs and latency. We demonstrate the accuracy of DFT-FE by comparing the energies, ionic forces and periodic cell stresses on a wide range of problems with popularly used DFT codes. Further, we demonstrate that DFT-FE significantly outperforms widely used plane-wave codes---both in CPU-times and wall-times, and on both non-periodic and periodic systems---at systems sizes beyond a few thousand electrons, with over 5-10 fold speedups in systems with more than 10,000 electrons. In conclusion, the benchmark studies also highlight the excellent parallel scalability of DFT-FE, with strong scaling demonstrated on up to 192,000 MPI tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Magnetic Reconnection in a Quasi-Parallel Shock: Two-Dimensional Local Particle-in-Cell Simulation

Magnetic reconnection in a quasi-parallel bow shock is investigated with two-dimensional local particle-in-cell simulations. In the shock transition and downstream regions, large amplitude magnetic fluctuations exist, and abundant current sheets form. In some current sheets, reconnection occurs, and ion-scale and electron-scale magnetic islands are generated. In electron-scale island regions, only electron outflow jets are observed, producing a quadrupolar out-of-plane magnetic field pattern, while in ion-scale islands, both ions and electrons are involved and energized in reconnection. Finally, normalized reconnection rates are obtained to be between around 0.1 to 0.2, and particle acceleration signatures are seen in distribution functions.

58 GEOSCIENCES↗
DOE OSTI2023

Focus enhancement in long schlieren imaging systems using corrector lenses

Long schlieren imaging systems, where the parallel light test section is longer than the focal length of the focusing schlieren optics, have a limited region in the test section in which any occluding object, such as a wind tunnel model, is in focus in the schlieren image. Corrector lenses are introduced here to alter the location in the test section where image focus is achieved. Corrector lenses with focal lengths varying from −1000 to −100mm were studied. Lens-type inline and z -type mirror schlieren systems were experimentally tested with multiple collecting optic focal lengths to characterize the changes in focal position. An automated image processing method was used to determine the plane of best focus from image sequences. The introduction of the corrector lens was observed to move the location of best focus within the schlieren system test section while also causing a decrease in the focal sharpness of the images and altering the magnification. The thin lens equation was found to provide a good estimate of the focal location change in the schlieren imaging systems with the addition of the corrector lens.

Torres, Sivana M.↗
DOE OSTI2025

Parallel diffusion operator for magnetized plasmas with improved spectral fidelity

Diffusive transport processes in magnetized plasmas are highly anisotropic, with fast parallel transport along the magnetic field lines sometimes faster than perpendicular transport by orders of magnitude. This constitutes a major challenge for describing non-grid-aligned magnetic structures in Eulerian (grid-based) simulations. Here, the present paper describes and validates a new method for parallel diffusion in magnetized plasmas based on the anti-symmetry representation [Halpern and Waltz, Phys. Plasmas 25, 060703 (2018)]. In the anti-symmetry formalism, diffusion manifests as a flow operator involving the logarithmic derivative of the transported quantity. Qualitative plane wave analysis shows that the new operator naturally yields better discrete spectral resolution compared to its conventional counterpart. Numerical simulations comparing the new method against existing finite difference methods are carried out, showing significant improvement. In particular, we find that combining anti-symmetry with finite differences in diagonally staggered grids essentially eliminates the so-called “artificial numerical diffusion” that affects conventional finite difference and finite volume methods.

Anisotropic diffusion↗
DOE OSTI2014

Temperature-dependent templated growth of porphine thin films on the (111) facets of copper and silver

The templated growth of the basic porphyrin unit, free-base porphine (2H-P), is characterized by means of X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine-structure (NEXAFS) spectroscopy measurements and density functional theory (DFT). The DFT simulations allow the deconvolution of the complex XPS and NEXAFS signatures into contributions originating from five inequivalent carbon atoms, which can be grouped into C–N and C–C bonded species. Polarization-dependent NEXAFS measurements reveal an intriguing organizational behavior: On both Cu(111) and Ag(111), for coverages up to one monolayer, the molecules adsorb undeformed and parallel to the respective metal surface. Upon increasing the coverage, however, the orientation of the molecules in the thin films depends on the growth conditions. Multilayers deposited at low temperatures exhibit a similar average tilting angle (30° relative to the surface plane) on both substrates. Conversely, for multilayers grown at room temperature a markedly different scenario exists. On Cu(111) the film thickness is self-limited to a coverage of approximately two layers, while on Ag(111) multilayers can be grown easily and, in contrast to the bulk 2H-P crystal, the molecules are oriented perpendicular to the surface. This difference in molecular orientation results in a modified line-shape of the C 1s XPS signatures, which depends on the incident photon energy and is explained by comparison with depth-resolved DFT calculations. Simulations of ionization energies for differently stacked molecules show no indication for a packing-induced modification of the multilayer XP spectra, thus indicating that the comparison of single molecule calculations to multilayer data is justified.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Preparation and characterization of electrodeposited cobalt nanowires

Electrochemical deposition technique has been used to deposit cobalt nanowires into the nano sized channels of Anodized Aluminium Oxide (AAO) templates. CoCl{sub 2}Ðœ‡6H2O salt solution was used, which was buffered with H{sub 3}BO{sub 3} and acidified by dilute H{sub 2}SO{sub 4} to increase the plating life and control pH of the solution. Thin film of copper around 150 nm thick on one side of AAO template coated by e-beam evaporation system served as cathode to create electrical contact. FESEM analysis shows that the as-deposited nanowires are highly aligned, parallel to one another and have high aspect ratio with a reasonably high pore-filing factor. The TEM results show that electrodeposited cobalt nanowires are crystalline in nature. The Hysteresis loop shows the magnetization properties for in and out of plane configuration. The in plane saturation magnetization (Ms) is lower than out of plane configuration because of the easy axis of magnetization is perpendicular to nanowire axis. These magnetic nanowires could be utilized for applications such as spintronic devices, high density magnetic storage, and magnetic sensor applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1972

Anomalous FIM images of tungsten.

Observation of unusual field-ion images consisting of bright bands of variable width parallel to the 111 (in carets) zones in tungsten at 78 K. Typical conditions for the effect are: pulse width from 1 to 50 microsec and pulse height adjusted so that five to ten pulses are required to remove one (110) plane. The influence of a number of accessible variables was studied and the results lead to a two-mechanism model for field evaporation involving (1) a slow process requiring helium promotion and (2) unpromoted evaporation when the local helium supply is depleted at high rates. The model implies that helium diffusion is rate-limiting in the promotion mechanism and leads to a migration energy of about 0.15 eV during field evaporation. There is a measurable difference in end form in the limits of high- and low-field evaporation rates. High rates are nearly isotropic and yield a more hemispherical end form.

Hren, J. J.↗
NASA NTRS1980

Laser beam manifold and particle photography system for use in fluid velocity measurements

A laser beam manifold and particle photography system has been developed for use in fluid velocity measurements. The laser manifold is a device which transforms a single laser beam into several uniform parallel beams. By orienting two manifolds mutually perpendicular, an optical grid can be formed which acts as a reference for fluid velocity measurements. This optical grid is for all practical purposes totally nonperturbing to the flow. Tracer particles moving in the plane of the grid are then photographed to yield fluid velocities that can be measured relative to the optical grid. System construction and theory are presented.

Owen, R. B.↗
NASA NTRS1985

Iosipescu shear properties of graphite fabric/epoxy composite laminates

The Iosipescu shear test method is used to measure the in-plane and interlaminar shear properties of four T300 graphite fabric/934 epoxy composite materials. Different weave geometries tested include an Oxford weave, a 5-harness satin weave, an 8-harness satin weave, and a plain weave with auxiliary warp yarns. Both orthogonal and quasi-isotropic layup laminates were tested. In-plane and interlaminar shear properties are obtained for laminates of all four fabric types. Overall, little difference in shear properties attributable to the fabric weave pattern is observed. The auxiliary warp material is significantly weaker and less stiff in interlaminar shear parallel to its fill direction. A conventional strain gage extensometer is modified to measure shear strains for use with the Iosipescu shear test. While preliminary results are encouraging, several design iterations failed to produce a reliable shear transducer prototype. Strain gages are still the most reliable shear strain transducers for use with this test method.

Walrath, D. E.↗
NASA NTRS1991

Transient, hypervelocity flow in an axisymmetric nozzle

The performance of an axisymmetric nozzle was examined which was designed to produce uniform, parallel flow with a nominal Mach number of 8. A free-piston driven shock tube was used to supply the nozzle with high-temperature, high-pressure test gas. Performance was assessed by measuring Pitot pressures across the exit plane of the nozzle and, over the range of operating conditions examined, the nozzle produced satisfactory test flows. However, there were flow disturbances that persisted for significant times after flow initiation. The detailed starting process of the nozzle was also investigated by performing numerical simulations at several nominal test conditions. The classical description of the starting process, based on a quasi-one-dimensional model, provided a reasonable approximation and was used to demonstrate that the starting process could consume a significant fraction of the otherwise usable test gas. This was especially important at high operating enthalpies where nozzle supply conditions were maintained for shorter times. Multidimensional simulations illustrated a mechanism by which the starting process in the actual nozzle could take longer than that predicted by the quasi-one-dimensional analysis. However, the cause of the persistent disturbances observed in the experimental calibration was not identified.

Jacobs, P. A.↗
DOE OSTI2020

Single crystal yield criterion for chromium based on atomistic studies of isolated 1/2[111] screw dislocations

Using the recently developed Bond Order Potential for Cr, we investigate the mobility of isolated 1/2[111] screw dislocations under stress at 0 K. These studies provide the dependence of the critical resolved shear stress (i.e., the Peierls stress) on the orientation of the maximum resolved shear stress plane and on the shear stress perpendicular to the slip direction. Similar studies are made for loading in tension and compression to show that the onset of yielding in Cr single crystals can be described using a combination of the shear stresses parallel and perpendicular to the slip direction. Based on these results, we develop a single crystal yield criterion for Cr that includes all non-Schmid contributions to the Peierls stress. This criterion is used to predict the shape of the yield surface and compare it with the regular Tresca's hexagon arising from the Schmid law. For all directions of uniaxial load, the criterion is used to quantify the character and magnitude of the tension-compression asymmetry.

36 MATERIALS SCIENCE↗
DOE OSTI2013

AN EXACT SOLUTION FOR MAGNETIC ANNIHILATION IN A CURVED CURRENT SHEET

An exact magnetohydrodynamic solution is presented for steady magnetic annihilation (merging) in an incompressible resistive viscous plasma. The merging, driven by an axisymmetric stagnation flow on a cylinder, takes place in a curved current sheet that is perpendicular to the plane in which the plasma flow stagnates. The new solution extends earlier models of flux pileup merging in a flat current sheet, driven by stagnation-point flows. The new solution remains valid in the presence of both the isotropic and anisotropic (parallel) plasma viscosity. The geometry of the solution may make it useful in modeling the photospheric flux cancellation on the Sun.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Crystallographic texture formation in Fe-9wt%Si alloy during deformation and phase transition at high pressure

SUMMARY The seismic anisotropy of the Earth's solid inner core has been the topic of much research. It could be explained by the crystallographic preferred orientation (CPO) developing during convection. The likely phase is hexagonal close-packed iron (hcp), alloyed with nickel and some lighter elements. Here we use high energy synchrotron X-rays to study CPO in Fe-9wt%Si, uniaxially compressed in a diamond anvil cell in radial geometry. The experiments reveal that strong preferred orientation forms in the low-pressure body-centred cubic (bcc) phase that appears to be softer than pure iron. CPO is attributed to dominant {110}<111> slip. The onset of the bcc→hcp transition occurs at a pressure of ≈15 GPa, and the alloy remains in a two phase bcc + hcp state up to 40 GPa. The hcp phase forms first with a distinct {11$\bar{2}$0} maximum perpendicular to compression. Modelling shows that this is a transformation texture, which can be described by Burgers orientation relationship with variant selection. Experimental results suggest that bcc grains oriented with <100> parallel to compression transform into hcp first. The CPO of the hcp changes only slowly during further pressure and deviatoric stress increase at ambient temperature. After heating to 1600 K, a change in the hcp CPO is observed with alignment of (0001) planes perpendicular to compression that can be interpreted as dominant (0001)<11$\bar{2}$0> slip, combined with {10$\bar{1}$2}<$\bar{1}$011> mechanical twinning, which is similar to the deformation modes suggested previously for pure hcp iron at inner core conditions.

Vasin, Roman N.↗