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At least 1,207 records · Page 67

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DOE OSTI2014

Realizing in-plane surface diffraction by x-ray multiple-beam diffraction with large incidence angle

Based on rigorous dynamical-theory calculations, we demonstrate in this paper the principle of an x-ray multiple-beam diffraction (MBD) scheme that overcomes the long-lasting difficulties of high-resolution in-plane diffraction from crystal surfaces. This scheme only utilizes symmetric reflection geometry with large incident angles but activates the out-of-plane and in-plane diffraction processes simultaneously and separately in the continuous MBD planes. The in-plane diffraction is realized by detoured MBD, where the intermediate diffracted waves propagate parallel to the surface, which corresponds to an absolute Bragg surface diffraction configuration that is extremely sensitive to surface structures. Finally, a series of MBD diffraction and imaging techniques may be developed from this principle to study surface/interface (misfit) strains, lateral nanostructures, and phase transitions of a wide range of (pseudo)cubic crystal structures, including ultrathin epitaxial films and multilayers, quantum dots, strain-engineered semiconductor or (multi)ferroic materials, etc.

36 MATERIALS SCIENCE↗

NASA NTRS1945

Analysis and modification of theory for impact of seaplanes on water

An analysis of available theory on seaplane impact and a proposed modification thereto are presented. In previous methods the overall momentum of the float and virtual mass has been assumed to remain constant during the impact but the present analysis shows that this assumption is rigorously correct only when the resultant velocity of the float is normal to the keel. The proposed modification chiefly involves consideration of the fact that forward velocity of the seaplane float causes momentum to be passed into the hydrodynamic downwash (an action that is the entire consideration in the case of the planing float) and consideration of the fact that, for an impact with trim, the rate of penetration is determined not only by the velocity component normal to the keel but also by the velocity component parallel to the keel, which tends to reduce the penetration. Experimental data for planing, oblique impact, and vertical drop are used to show that the accuracy of the proposed theory is good.

Mayo, Wilbur L↗

DOE OSTI2025

Phase diagram of a bilayer superconductor under an in-plane magnetic field

We study a double layer superconductor in the presence of a parallel magnetic field Bby obtaining self-consistent solutions of the Bogoliubov-de Gennes equations, and also using the Pakrovsky- Talapov model for the free energy expressed in terms of the relative phase, namely the difference in the phases of the superconducting order parameters in the two layers. We find that with increasing B, a continuous transition occurs from the Bardeen-Cooper-Schrieffer (BCS) state, where the relative phase is constant, into a state which contains stripes of the BCS state separated by localized vortices in the relative phase. This state is predicted to manifest through oscillations in the amplitude of the superconducting gap and an alternating pattern of supercurrents. With increasing B, the BCS stripe state continuously evolves into the Fulde-Ferrell-Larkin-Ovchinnikov state with linearly varying relative phase and a constant gap amplitude. Furthermore, these predictions apply to superconductivity in bilayer transition-metal-dichalcogenide systems with Ising spin-orbit coupling, and ought to be testable in a recently studied experimental system.

2-dimensional systems↗

DOE OSTI2014

Ordered horizontal Sb 2 Te 3 nanowires induced by femtosecond lasers

Nanowires are of intense interest on account of their ability to confine electronic and phononic excitations in narrow channels, leading to unique vibronic and optoelectronic properties. Most systems reported to date exhibit nanowire axes perpendicular to the substrate surface, while for many applications (e.g., photodetectors and sensors), a parallel orientation may be advantageous. Here in this paper, we report the formation of in-plane Sb 2 Te 3 nanowires using femtosecond laser irradiation. High-resolution scanning transmission electron microscopy imaging and element mapping reveal that an interesting laser-driven anion exchange mechanism is responsible for the nanowire formation. This development points the way to the scalable production of a distinct class of nanowire materials with in-plane geometry.

36 MATERIALS SCIENCE↗

NASA NTRS1999

Finite Ground Coplanar (FGC) Waveguide: Characteristics and Advantages Evaluated for Radiofrequency and Wireless Communication Circuits

Researchers in NASA Lewis Research Center s Electron Device Technology Branch are developing transmission lines for radiofrequency and wireless circuits that are more efficient, smaller, and make lower cost circuits possible. Traditionally, radiofrequency and wireless circuits have employed a microstrip or coplanar waveguide to interconnect the various electrical elements that comprise a circuit. Although a coplanar waveguide (CPW) is widely viewed as better than a microstrip for most applications, it too has problems. To solve these problems, NASA Lewis and the University of Michigan developed a new version of a coplanar waveguide with electrically narrow ground planes. Through extensive numerical modeling and experimental measurements, we have characterized the propagation constant of the FGC waveguide, the lumped and distributed circuit elements integrated in the FGC waveguide, and the coupling between parallel transmission lines. Although the attenuation per unit length is higher for the FGC waveguide because of higher conductor loss, the attenuation is comparable when the ground plane width is twice the center conductor width as shown in the following graph. An upper limit to the line width is derived from observations that when the total line width is greater than ld/2, spurious resonances due to the parallel plate waveguide mode are established. Thus, the ground plane width must be less than ld/4 where ld is the wavelength in the dielectric. Since the center conductor width S is typically less than l/10 to maintain good transverse electromagnetic mode characteristics, it follows that a ground plane width of B = 2S would also be electrically narrow. Thus, we can now treat the ground strips of the FGC waveguide the same way that the center conductor is treated.

Ponchak, George E.↗

DOE OSTI2013

KINETIC PLASMA TURBULENCE IN THE FAST SOLAR WIND MEASURED BY CLUSTER

The k-filtering technique and wave polarization analysis are applied to Cluster magnetic field data to study plasma turbulence at the scale of the ion gyroradius in the fast solar wind. Waves are found propagating in directions nearly perpendicular to the background magnetic field at such scales. The frequencies of these waves in the solar wind frame are much smaller than the proton gyrofrequency. After the wavevector k is determined at each spacecraft frequency f{sub sc}, wave polarization property is analyzed in the plane perpendicular to k. Magnetic fluctuations have {delta}B > {delta}B{sub Parallel-To} (here the Parallel-To and refer to the background magnetic field B{sub 0}). The wave magnetic field has right-handed polarization at propagation angles {theta}{sub kB} < 90 Degree-Sign and >90 Degree-Sign . The magnetic field in the plane perpendicular to B{sub 0}, however, has no clear sense of a dominant polarization but local rotations. We discuss the merits and limitations of linear kinetic Alfven waves (KAWs) and coherent Alfven vortices in the interpretation of the data. We suggest that the fast solar wind turbulence may be populated with KAWs, small-scale current sheets, and Alfven vortices at ion kinetic scales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

A new anion-deficient fluorite-related superstructure of Bi{sub 28}V{sub 8}O{sub 62}

New hydrothermally synthesized Bi{sub 28}V{sub 8}O{sub 62} was structurally characterized using single-crystal X-ray diffraction data. Bi{sub 28}V{sub 8}O{sub 62} crystallizes in the novel type of defect fluorite structure related to the face-centered cubic δ-Bi{sub 2}O{sub 3}. It is monoclinic, s. g. P2{sub 1}/c, and the relation to the fluorite subcell is given as a∼(3/2)a{sub F}+(3/2)c{sub F}; b∼ −b{sub F}; c∼2a{sub F} −4c{sub F} (F in subscript indicate the unit cell parameter of fluorite). Its structure is characterized by slabs of edge sharing OBi{sub 4} tetrahedra surrounded by the OBi{sub 3} triangles. As a part of these OBi{sub 3} triangles, two positionally disordered Bi{sup 3+} cations were observed in the marginal part of the slabs. The slabs are extending along b axis and are linked by inter-slab portion of the structure composed of VO{sub 4} tetrahedra and BiO{sub 6−x} coordination polyhedra, where x is a number of vacant oxygen sites. Raman spectra verified the coordination environment of vanadium atoms in the structure. - Graphical abstract: The [4{sup ¯}01] projection of two slabs and inter-slab part of the structure in one layer parallel to the (3{sup ¯}08)=(002{sup ¯}){sub F} plane (F in subscript indicate a fluorite type structure). The large green circles are Bi atoms. Small blue circles represent partly and fully occupied O sites, respectively. Pink (hatched black) are V1O{sub 4} and blue (hatched white) are V2O{sub 4} coordination tetrahedra. - Highlights: • Single crystals of Bi{sub 28}V{sub 8}O{sub 62} were grown using hydrothermal technique. • The crystal structure of Bi{sub 28}V{sub 8}O{sub 62} was solved using single-crystal XRD method. • Bi{sub 28}V{sub 8}O{sub 62} has an anion-deficient fluorite-related superstructure. • Raman spectrum confirmed the coordination environment of vanadium atoms. • Relation to the structurally related compound was discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Crystal structure of elvitegravir Form II, C 23 H 23 ClFNO 5

The crystal structure of elvitegravir Form II has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. Elvitegravir Form II crystallizes in space group P2 1 (#4) with a = 11.54842(7), b = 14.04367(5), c = 13.33333(8) Å, β = 90.0330(6)°, V = 2162.427(14) Å 3 , and Z = 4. The crystal structure consists of alternating layers of parallel molecules perpendicular to the b-axis. The mean planes of the oxoquinoline ring systems in molecules 1 and 2 are 1(22)-1 and -1(22)1. Between the stacks are layers of the halogenated phenyl rings. These exhibit herringbone stacking. In each molecule, the carboxylic acid group forms a strong intramolecular O–H∙∙∙O hydrogen bond to the nearby carbonyl group. The hydroxyl group of each molecule forms a strong hydrogen bond to the carbonyl group of the carboxylic acid of the other molecule. These O–H∙∙∙O hydrogen bonds link the molecules into dimers, with a graph set R2,2(18) > a > c. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®).

36 MATERIALS SCIENCE↗

DOE OSTI2016

Replacement of Calcite (CaCO 3 ) by Cerussite (PbCO 3 )

The mobility of toxic elements, such as lead (Pb) can be attenuated by adsorption, incorporation, and precipitation on carbonate minerals in subsurface environments. Here in this paper, we report a study of the bulk transformation of single-crystal calcite (CaCO 3 ) into polycrystalline cerussite (PbCO 3 ) through reaction with acidic Pb-bearing solutions. This reaction began with the growth of a cerussite shell on top of calcite surfaces followed by the replacement of the remaining calcite core. The external shape of the original calcite was preserved by a balance between calcite dissolution and cerussite growth controlled by adjusting the Pb 2+ concentration and pH. The relation between the rounded calcite core and the surrounding lath-shaped cerussite aggregates was imaged by transmission X-ray microscopy, which revealed preferentially elongated cerussite crystals parallel to the surface and edge directions of calcite. The replacement reaction involved concurrent development ~100 nm wide pores parallel to calcite c-glide or (1$\overline{20}$) planes, which may have provided permeability for chemical exchange during the reaction. X-ray reflectivity measurements showed no clear epitaxial relation of cerussite to the calcite (104) surface. These results demonstrate Pb sequestration through mineral replacement reactions and the critical role of nanoporosity (3% by volume) on the solid phase transformation through a dissolution-recrystallization mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Formation of a columnar liquid crystal in a simple one-component system of particles

Here, we report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling from a low-density isotropic liquid state the simulated system underwent a weak first order phase transition which produced a liquid crystal phase composed of parallel particle columns arranged in a hexagonal pattern in the plane perpendicular to the column axis. The particles within columns formed a liquid structure and demonstrated a significant intracolumn diffusion. Further cooling resulted in another first-order transition whereby the column structure became periodically ordered in three dimensions transforming the liquid-crystal phase into a crystal. This result is the first observation of a columnar liquid crystal formation in a simple one-component system of particles. Its conceptual significance is in that it demonstrated that liquid crystals that have so far only been produced in systems of anisometric molecules can also be formed by mesoscopic soft-matter and colloidal systems of spherical particles with appropriately tuned interatomic potential.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Simulation of neoclassical transport with the continuum gyrokinetic code COGENT

The development of the continuum gyrokinetic code COGENT for edge plasma simulations is reported. The present version of the code models a nonlinear axisymmetric 4D (R, v∥, μ) gyrokinetic equation coupled to the long-wavelength limit of the gyro-Poisson equation. Here, R is the particle gyrocenter coordinate in the poloidal plane, and v∥ and μ are the guiding center velocity parallel to the magnetic field and the magnetic moment, respectively. The COGENT code utilizes a fourth-order finite-volume (conservative) discretization combined with arbitrary mapped multiblock grid technology (nearly field-aligned on blocks) to handle the complexity of tokamak divertor geometry with high accuracy. Furthermore, topics presented are the implementation of increasingly detailed model collision operators, and the results of neoclassical transport simulations including the effects of a strong radial electric field characteristic of a tokamak pedestal under H-mode conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Uniaxial in-plane magnetization of iron nanolayers grown within an amorphous matrix

Conversion electron Mössbauer spectroscopy is used to determine the magnetic ground state at zero magnetic field of four-monolayer thick amorphous iron layers as part of a CoFeB-Fe multilayer stack. By comparing the intensities of the magnetic hyperfine field, an easy in-plane axis of the amorphous embedded Fe layer is verified, which is collinear to the uniaxial anisotropy axis of the neighboring amorphous CoFeB. Despite the soft magnetic character of the Fe layers, external fields up to 4 T perpendicular to the film plane are insufficient to completely align the embedded Fe moments parallel to the magnetic field due to a local disorder of the magnetic moments of the Fe atoms.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Magnetic field induced a b -plane rotation of the Eu magnetic moments in trigonal EuMg 2 Bi 2 and EuMg 2 Sb 2 single crystals below their Néel temperatures

The thermodynamic and electronic-transport properties of trigonal EuMg 2 Bi 2 in ab-plane magnetic fields H x and the A-type antiferromagnetic structure have recently been reported. The Eu magnetic moments with spin S = 7/2 remain locked in the ab plane up to and above the ab-plane critical field $H^{c}_{x}$ = 27.5 kOe at which the Eu moments become parallel to H x . Here additional measurements at low fields are reported that reveal a new spin-reorientation transition at a field H c1 ≈ 465 Oe where the Eu moments remain in the ab plane but become perpendicular to H x . At higher fields, the moments cant toward the field resulting in M ∝ H x up to $H^{c}_{x}$. Similar results are reported from measurements of the magnetic properties of EuMg 2 Sb 2 single crystals, where H c1 ≈ 220 Oe is found. Theory is formulated that models the low-field magnetic behavior of both materials, and the associated anisotropies are calculated. Further, the ab-plane trigonal anisotropy in EuMg 2 Sb 2 is found to be significantly smaller than in EuMg 2 Bi 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Splitting of the Fermi Contour of Quasi-2D Electrons in Parallel Magnetic Fields

In a quasi-two-dimensional electron system with nonzero layer thickness, a parallel magnetic field can couple to the out-of-plane electron motion and lead to a severe distortion and eventual splitting of the Fermi contour. Here we directly and quantitatively probe this evolution through commensurability and Shubnikov–de Haas measurements on electrons confined to a 40-nm-wide GaAs (001) quantum well. We are able to observe the Fermi contour splitting phenomenon, in good agreement with the results of semiclassical calculations. Experimentally, we also observe intriguing features, suggesting magnetic breakdown-type behavior when the Fermi contour splits.

Mueed, M. A.↗

DOE OSTI2016

WE-AB-207A-12: HLCC Based Quantitative Evaluation Method of Image Artifact in Dental CBCT

Purpose: Image artifacts are usually evaluated qualitatively via visual observation of the reconstructed images, which is susceptible to subjective factors due to the lack of an objective evaluation criterion. In this work, we propose a Helgason-Ludwig consistency condition (HLCC) based evaluation method to quantify the severity level of different image artifacts in dental CBCT. Methods: Our evaluation method consists of four step: 1) Acquire Cone beam CT(CBCT) projection; 2) Convert 3D CBCT projection to fan-beam projection by extracting its central plane projection; 3) Convert fan-beam projection to parallel-beam projection utilizing sinogram-based rebinning algorithm or detail-based rebinning algorithm; 4) Obtain HLCC profile by integrating parallel-beam projection per view and calculate wave percentage and variance of the HLCC profile, which can be used to describe the severity level of image artifacts. Results: Several sets of dental CBCT projections containing only one type of artifact (i.e. geometry, scatter, beam hardening, lag and noise artifact), were simulated using gDRR, a GPU tool developed for efficient, accurate, and realistic simulation of CBCT Projections. These simulated CBCT projections were used to test our proposed method. HLCC profile wave percentage and variance induced by geometry distortion are about 3∼21 times and 16∼393 times as large as that of the artifact-free projection, respectively. The increase factor of wave percentage and variance are 6 and133 times for beam hardening, 19 and 1184 times for scatter, and 4 and16 times for lag artifacts, respectively. In contrast, for noisy projection the wave percentage, variance and inconsistency level are almost the same with those of the noise-free one. Conclusion: We have proposed a quantitative evaluation method of image artifact based on HLCC theory. According to our simulation results, the severity of different artifact types is found to be in a following order: Scatter>Geometry>Beam hardening>Lag>Noise>Artifact-free in dental CBCT.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1973

The remote sensing of Saturn's rings. 1: The magnetic alinement of the ring particles

Because of the potential implications for the optical properties of Saturn's rings, the orientation of nonspherical ring particles at equilibrium is investigated with respect to four stochastic influences: interactions with the interplanetary medium, interactions with the expected magnetic field of Saturn, thermal fluctuations due to the internal temperature of the ring particles; collisions between ring particles. The solution of the homogeneous Fokker-Planck equation for nearly spherical spheroids is presented and investigated in general. Values of the pertinent physical parameters in the vicinity of Saturn are estimated, and the implications for the alignment of the ring particles are investigated. It is concluded that for some alignment mechanisms, small ring particles can be expected to be almost completely aligned. This alignment results in each particle spinning around its shortest body axis with this axis parallel to the magnetic field direction (perpendicular to the ring plane).

Evans, L. C.↗

NASA NTRS1975

Electromagnetic fields and torque for a rotating gyroscope with a superconducting shield

In a proposed experiment, a measurement is to be made of the angular precession of a rotating superconducting gyroscope for the purpose of testing different general-relativity theories. For various reasons having to do with the design of the experiment, the superconducting shield surrounding the gyroscope is not spherically symmetric and produces a torque. There are two distinct features of the shield which lead to a torque on the gyroscope. First, its shape is a sphere intersected by a plane. If the angular momentum of the gyroscope is not parallel to the rotational symmetry axis of the shield, there is a torque which is calculated. Second, there are small holes in the spherical portion of the shield. The earth's field can penetrate through these holes and give an additional torque which is also calculated. In the actual experiment, these torques must be accurately known or made very small in order to obtain meaningful results. The present calculation is sufficiently general for application over a wide range of experimental design parameters.

Ebner, C.↗

NASA NTRS1979

Some TEM observations of Al2O3 scales formed on NiCrAl alloys

The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids were observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. The voids resulted from an excess number of oxygen vacancies near the oxidemetal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidation of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al, Cr)2O3 and Ni(Al, Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationship between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

Smialek, J.↗