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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Preferential orientation relationships in Ca{sub 2}MnO{sub 4} Ruddlesden-Popper thin films

A high-throughput investigation of local epitaxy (called combinatorial substrate epitaxy) was carried out on Ca{sub 2}MnO{sub 4} Ruddlesden-Popper thin films of six thicknesses (from 20 to 400 nm), all deposited on isostructural polycrystalline Sr{sub 2}TiO{sub 4} substrates. Electron backscatter diffraction revealed grain-over-grain local epitaxial growth for all films, resulting in a single orientation relationship (OR) for each substrate-film grain pair. Two preferred epitaxial ORs accounted for more than 90% of all ORs on 300 different microcrystals, based on analyzing 50 grain pairs for each thickness. The unit cell over unit cell OR ([100][001]{sub film} ∥ [100][001]{sub substrate}, or OR1) accounted for approximately 30% of each film. The OR that accounted for 60% of each film ([100][001]{sub film} ∥ [100][010]{sub substrate}, or OR2) corresponds to a rotation from OR1 by 90° about the a-axis. OR2 is strongly favored for substrate orientations in the center of the stereographic triangle, and OR1 is observed for orientations very close to (001) or to those near the edge connecting (100) and (110). While OR1 should be lower in energy, the majority observation of OR2 implies kinetic hindrances decrease the frequency of OR1. Persistent grain over grain growth and the absence of variations of the OR frequencies with thickness implies that the growth competition is finished within the first few nm, and local epitaxy persists thereafter during growth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of substrate microcrystallinity on the orientation of laser-induced periodic surface structures

The research in this paper deals with the angular dependence of the formation of laser-induced periodic surface structures (LIPSS) by linearly polarized nanosecond laser pulses on polycrystalline austenitic stainless steel. Incident angles ranging from 45° to 70° lead to the generation of superimposed merely perpendicular oriented LIPSS on steel as well as on monocrystalline (100) silicon which was used as a reference material. Additional extraordinary orientations of superimposing LIPSS along with significantly different periodicities are found on polycrystalline steel but not on (100) silicon. Electron backscatter diffraction measurements indicate that the expansion of these LIPSS is limited to the grain size and affected by the crystal orientation of the individual grains. Atomic force microscopy imaging shows that LIPSS fringe heights are in good agreement with the theoretically predicted penetration depths of surface plasmon polaritons into stainless steel. These results indicate that optical anisotropies must be taken into account to fully describe the theory of light-matter interaction leading to LIPSS formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A direct correlation of x-ray diffraction orientation distributions to the in-plane stiffness of semi-crystalline organic semiconducting films

Large charge mobilities of semi-crystalline organic semiconducting films could be obtained by mechanically aligning the material phases of the film with the loading axis. A key element is to utilize the inherent stiffness of the material for optimal or desired alignment. However, experimentally determining the moduli of semi-crystalline organic thin films for different loading directions is difficult, if not impossible, due to film thickness and material anisotropy. In this paper, we address these challenges by presenting an approach based on combining a composite mechanics stiffness orientation formulation with a Gaussian statistical distribution to directly estimate the in-plane stiffness (transverse isotropy) of aligned semi-crystalline polymer films based on crystalline orientation distributions obtained by X-ray diffraction experimentally at different applied strains. Our predicted results indicate that the in-plane stiffness of an annealing film was initially isotropic, and then it evolved to transverse isotropy with increasing mechanical strains. This study underscores the significance of accounting for the crystalline orientation distributions of the film to obtain an accurate understanding and prediction of the elastic anisotropy of semi-crystalline polymer films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

RELATIVE ORIENTATION OF PAIRS OF SPIRAL GALAXIES IN THE SLOAN DIGITAL SKY SURVEY

From our study of binary spiral galaxies in the Sloan Digital Sky Survey Data Release 6, we find that the relative orientation of disks in binary spiral galaxies is consistent with their being drawn from a random distribution of orientations. For 747 isolated pairs of luminous disk galaxies, the distribution of {phi}, the angle between the major axes of the galaxy images, is consistent with a uniform distribution on the interval [0 Degree-Sign , 90 Degree-Sign ]. With the assumption that the disk galaxies are oblate spheroids, we can compute cos {beta}, where {beta} is the angle between the rotation axes of the disks. In the case that one galaxy in the binary is face-on or edge-on, the tilt ambiguity is resolved, and cos {beta} can be computed unambiguously. For 94 isolated pairs with at least one face-on member, and for 171 isolated pairs with at least one edge-on member, the distribution of cos {beta} is statistically consistent with the distribution of cos i for isolated disk galaxies. This result is consistent with random orientations of the disks within pairs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ON THE ORIENTATION AND MAGNITUDE OF THE BLACK HOLE SPIN IN GALACTIC NUCLEI

Massive black holes (BHs) in galactic nuclei vary their mass M {sub BH} and spin vector J {sub BH} due to accretion. In this study we relax, for the first time, the assumption that accretion can be either chaotic, i.e., when the accretion episodes are randomly and isotropically oriented, or coherent, i.e., when they occur all in a preferred plane. Instead, we consider different degrees of anisotropy in the fueling, never confining to accretion events on a fixed direction. We follow the BH growth evolving contemporarily with mass, spin modulus a, and spin direction. We discover the occurrence of two regimes. An early phase (M {sub BH} {approx}< 10{sup 7} M {sub Sun }) in which rapid alignment of the BH spin direction to the disk angular momentum in each single episode leads to erratic changes in the BH spin orientation and at the same time to large spins (a {approx} 0.8). A second phase starts when the BH mass increases above {approx}> 10{sup 7} M {sub Sun} and the accretion disks carry less mass and angular momentum relative to the hole. In the absence of a preferential direction, the BHs tend to spin-down in this phase. However, when a modest degree of anisotropy in the fueling process (still far from being coherent) is present, the BH spin can increase up to a {approx} 1 for very massive black holes (M {sub BH} {approx}> 10{sup 8} M {sub Sun }), and its direction is stable over the many accretion cycles. We discuss the implications of our results in the realm of the observations of BH spin and jet orientations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

A NEW ORIENTATION INDICATOR FOR RADIO-QUIET QUASARS

The velocities of the [O III] {lambda}5007 and optical Fe II emission lines, measured relative to the systemic redshifts of 2265 QSOs by Hu et al., show the signature of a disklike BLR structure with polar outflows. Objects with large [O III] outflows show no Fe II offset velocity and are seen pole-on. Objects with large Fe II inflow show no [O III] offset velocity and are seen edge-on. This interpretation is supported by the morphology of the radio-loud objects within the sample and by previous determinations of the geometry of the broad- and narrow-line regions. Analysis of the objects with neither Fe II or [O III] velocity offsets, however, shows that the two groups also differ in Eddington ratio (ER), and, within this subset, corresponding groups with high and low ER but with the opposite orientation can be identified. Using these four subsets of the sample, the effects of orientation and ER can be separated, and, in some cases, quantified. The changes in apparent continuum luminosity and broad H{beta} width and strength suggest a model in which both continuum and H{beta} are emitted from the surface of the disk, which is less flattened in high ER objects. The effects of orientation on the derived properties, black hole mass and ER, are significant, though not large. The [O III] outflow appears to influence the width of that line, as well as its centroid.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

High degree of molecular orientation by a combination of THz and femtosecond laser pulses

We propose a method for achieving molecular orientation by two-step excitation with intense femtosecond laser and terahertz (THz) pulses. First, the femtosecond laser pulse induces off-resonant impulsive Raman excitation to create rotational wave packets. Next, a delayed intense THz pulse effectively induces resonant dipole transition between neighboring rotational states. By controlling the intensities of both the pulses and the time delay, we can create rotational wave packets consisting of states with different parities in order to achieve a high degree of molecular orientation under a field-free condition. We numerically demonstrate that the highest degree of orientation of >0.8 in HBr molecules is feasible under experimentally available conditions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Errors in reconstruction of dichroic X-ray orientation tomography due to polarization rotation of the incident beam

Dichroic X-ray tomography is a technique in which the crystal orientation or magnetization of a sample is resolved in three dimensions. The best-known uses of this technique are for observation of magnetic moments via circular dichroism, using left- and right-handed circularly polarized X-ray beams. Another variant uses linear dichroism to resolve the crystal orientation. In both these techniques, it is assumed that the absorption of X-rays along a path inside a material can be computed as a line integral of a local absorption coefficient along the ray path. For linear dichroism, this assumption is inaccurate because the polarization of the beam changes along the propagation direction when the optic axis of the material is not aligned along the polarization. In this work, a finite-element Maxwell solver is used to simulate tomography and reconstructions. The propagation effect can lead to significant errors in the reconstructed orientations. These errors may be mitigated by taking data at additional angles or by operating at energies at which the dichroism is weak. An iterative approach is proposed which may allow accurate reconstruction with fewer data than would otherwise be required.

X-ray linear dichroism↗
DOE OSTI2012

Low-temperature oriented growth of vanadium dioxide films on CoCrTa metal template on Si and vertical metal-insulator transition

The authors achieved oriented growth of vanadium dioxide (VO{sub 2}) films on CoCrTa metal template grown on an Si substrate. Low-temperature ({approx}250 Degree-Sign C) deposition of VO{sub 2} films using inductively coupled-plasma-assisted sputtering technique realized an abrupt interface between VO{sub 2} and CoCrTa layers, suppressing the oxidation and diffusion of metal components. The films revealed a metal-insulator transition with resistance change of over 2 orders of magnitude. The CoCrTa film, in which Co hexagonal crystalline grains with c-axis orientation were surrounded by segregated Cr and Ta, serves for the oriented growth of VO{sub 2} crystalline film, enabling higher orders of transition in resistance and low voltage switching, even for the vertical (out-of-plane) direction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Highly (001) oriented L1{sub 0}-CoPt/TiN multilayer films on glass substrates with perpendicular magnetic anisotropy

To obtain strong perpendicular magnetic anisotropy (PMA) based on L1{sub 0} structure for magnetic storage devices, costly single crystalline substrates are generally required to achieve (001) texture. Recently, various studies also have focused on depositing different kinds of seed layers on glass or other amorphous substrates to promote (001) preferred orientation of L1{sub 0} CoPt and FePt. TiN is a very promising seed layer material because of its cubic crystalline structure (similar to MgO) and excellent diffusion barring property even at high temperatures. In the present work, highly (001) oriented L1{sub 0}-CoPt/TiN multilayer films have been successfully deposited on glass substrates. After annealing at 700 °C, the film exhibits PMA, and a strong (001) peak is detected from the x-ray diffraction profiles, indicating the ordering transformation of CoPt layers from fcc (A1) to L1{sub 0} structure. It also is found that alternate deposition of cubic TiN and CoPt effectively improves the crystallinity and (001) preferred orientation of CoPt layers. This effect is verified by the substantial enhancement of (001) reflection and PMA with increasing the period number of the multilayer films.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Thickness-dependent growth orientation of F-doped ZnO films formed by atomic layer deposition

ZnO thin films were doped with fluorine using atomic layer deposition (ALD) with an in-house F source at a deposition temperature of 140 °C. Structural and morphological properties of the resulting F-doped ZnO (ZnO:F) films were investigated by x-ray diffraction analysis, field emission scanning electron microscopy, and grazing incidence wide-angle x-ray diffraction. During the initial growth stage of up to 200 ALD cycles, no difference was observed between the preferred growth orientations of undoped ZnO and ZnO:F films. However, after 300 ALD cycles, ZnO and ZnO:F films showed (002) and (100) preferred orientation, respectively. This difference in preferred growth orientation arose from the perturbation-and-passivation effect of F doping, which involves F anions filling the oxygen-related defect sites in the ZnO lattice. Ultraviolet photoelectron spectroscopic analyses were carried out to investigate the surface plane dependency of the films' work functions, which confirmed that the ZnO and ZnO:F films had different growth behaviors.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Effect of the orientation degree of freedom on the rate and time of fission of highly excited nuclei

The effect of the dimensionality of the dynamical model used on the fission rate and mean time is studied within a multidimensional stochastic approach to fission dynamics. These features of fission of excited compound nuclei are calculated within four-dimensional Langevin dynamics, where the coordinate K, which is the projection of the total angular momentum onto the symmetry axis of the nucleus being considered, is taken into account in addition to three collective shape coordinates introduced on the basis of the (c, h, a) parametrization. The evolution of this orientation degree of freedom (K mode) is described in terms of the Langevin equation in the overdamped regime. The effect of the orientation degree of freedom on the rate and mean time of fission of compound nuclei is studied. The introduction of the orientation degree of freedom is shown to lead to a substantial decrease in the fission rate and, accordingly, to an increase in the mean fission time upon going over from the three- to the four-dimensional model. The reactions induced by the interaction of {sup 14}N and {sup 16}O projectile ions with {sup 197}Au, {sup 208}Pb, {sup 232}Th, and {sup 238}U nuclei at energies above the Coulomb fusion barrier are considered. The effect of the increase in the fission time because of the introduction of the K mode is so strong that it compensates almost completely for an opposite effect from introducing, in the one-dimensional model, the second and third collective coordinates that take into account, respectively, the evolution of the neck in the nuclear shape and the mass asymmetry. Ultimately, the difference between the results in the four- and one dimensional problems is not more than 5 to 25% for the reactions considered here.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Optical orientation of electrons in compensated semiconductors

The theory of the optical orientation of charge carriers in compensated III-V semiconductors and quantum wells for the case where electrons are excited to the conduction band from Mn-charged acceptor states is presented. It is shown that, in GaAs/AlGaAs quantum wells, the degree of the spin orientation of conduction-band electrons in this excitation scheme can be as high as 85%. This spin-orientation enhancement results from an increase in the heavy-hole contribution to the acceptor state in the vicinity of the defect center rather than from level splitting caused by quantum confinement. It is shown that the degree of circular polarization of the photoluminescence emitted upon the recombination of electrons thermalized at the bottom of the band with holes occupying the acceptor ground state in a quantum well can exceed 70%.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors

High thermal stability and anisotropic molecular orientation enhance the performance of vapor-deposited organic semiconductors, but controlling these properties is a challenge in amorphous materials. To understand the influence of molecular shape on these properties, vapor-deposited glasses of three disk-shaped molecules were prepared. For all three systems, enhanced thermal stability is observed for glasses prepared over a wide range of substrate temperatures and anisotropic molecular orientation is observed at lower substrate temperatures. For two of the disk-shaped molecules, atomistic simulations of thin films were also performed and anisotropic molecular orientation was observed at the equilibrium liquid surface. We find that the structure and thermal stability of these vapor-deposited glasses results from high surface mobility and partial equilibration toward the structure of the equilibrium liquid surface during the deposition process. For the three molecules studied, molecular shape is a dominant factor in determining the anisotropy of vapor-deposited glasses.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Quantitative comparison between the degree of domain orientation and nonlinear properties of a PZT ceramic during electrical and mechanical loading

The macroscopic electromechanical coupling properties of ferroelectric polycrystals are composed of linear and nonlinear contributions. The nonlinear contribution is typically associated with the extrinsic effects related to the creation and motion of domain walls. To quantitatively compare the macroscopic nonlinear properties of a lead zirconate titanate ceramic and the degree of domain orientation, in-situ neutron and high-energy x-ray diffraction experiments are performed and they provide the domain orientation density as a function of the external electric field and mechanical compression. Furthermore, the macroscopic strain under the application of external electrical and mechanical loads is measured and the nonlinear strain is calculated by means of the linear intrinsic piezoelectric effect and the linear intrinsic elasticity. The domain orientation density and the nonlinear strain show the same dependence on the external load. The scaling factor that relates to the two values is constant and is the same for both electrical and mechanical loadings.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

FEA Simulations of Magnets with Grain Oriented Steel

One of the potential successors of the Large Hadron Collider is a Muon Collider. Muons are short-lived particles, which therefore require fast acceleration. One potential avenue is a very fast cycling cyclotron, where the bending is sup- plied by a combination of fixed-field superconducting magnets and fast ramping normal conducting iron-cored coils. Due to the high ramping rate (around 1 kHz) eddy current and hysteresis losses are a concern. One way to overcome these is by using grain-oriented soft-iron, which promises superior magnetic properties in the direction of the grains. This note summarizes efforts to include the anisotropic material properties of grain-oriented steel in finite element analysis to predict the behaviour of the dipole magnets for this accelerator. It was found that including anisotropic material properties has a detrimental effect on model convergence. During this study it was not possible to include grain oriented steel with an accuracy necessary to study the field quality of a dipole magnet.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Process-Induced Fiber Orientation in Fused Filament Fabrication

As the applications for additive manufacturing have continued to grow, so too has the range of available materials, with more functional or better performing materials constantly under development. This work characterizes a copper-filled polyamide 6 (PA6) thermoplastic composite designed to enhance the thermal conductivity of fused filament fabrication (FFF) parts, especially for heat transfer applications. The composite was mixed and extruded into filament using twin screw extrusion. Because the fiber orientation within the material governs the thermal conductivity of the material, the orientation was measured in the filament, through the nozzle, and in printed parts using micro-computed tomography. The thermal conductivity of the material was measured and achieved 4.95, 2.38, and 0.75 W/(m·K) at 70 °C in the inflow, crossflow, and thickness directions, respectively. The implications of this anisotropy are discussed using the example of an air-to-water crossflow heat exchanger. The lower conductivity in the crossflow direction reduces thermal performance due to the orientation in thin-walled parts.

36 MATERIALS SCIENCE↗
DOE OSTI2019

High Resolution Mapping of Orientation and Strain Gradients in Metals by Synchrotron 3D X-ray Laue Microdiffraction

Synchrotron 3D X-ray Laue microdiffraction, available at beamline 34-ID-E at Advanced Photon Source in Argonne National Laboratory, is a powerful tool for 3D non-destructive mapping of local orientations and strains at sub-micron scale in the bulk. With this technique, it is possible to study local residual stresses developed during manufacturing or while in service due to interactions between, for example, different phases and/or grains with different orientations in materials containing multiple or single phase(s). Such information is essential for understanding mechanical properties and designing advanced materials, but is largely non-existent in the current generation of materials models. In the present paper, the principle and experimental set-up of the 3D microdiffraction are introduced, followed by a description of a method for quantification of the local plastic deformation based on high-angular-resolution orientation maps. The quantification of local residual stresses in two model materials, ductile cast iron (two phases) and partially recrystallized pure nickel (single phase), using 3D microdiffraction will then be presented. The results show that 3D microdiffraction is important for understanding the origin of local residual stresses and to relate them to the microstructural evolution. Finally, the limitations of the 3D microdiffraction on the current generation synchrotron source and new possibilities after the synchrotron upgrade are discussed.

36 MATERIALS SCIENCE↗