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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Combining Laue diffraction with Bragg coherent diffraction imaging at 34-ID-C

Measurement modalities in Bragg coherent diffraction imaging (BCDI) rely on finding a signal from a single nanoscale crystal object which satisfies the Bragg condition among a large number of arbitrarily oriented nanocrystals. However, even when the signal from a single Bragg reflection with ( hkl ) Miller indices is found, the crystallographic axes on the retrieved three-dimensional (3D) image of the crystal remain unknown, and thus localizing in reciprocal space other Bragg reflections becomes time-consuming or requires good knowledge of the orientation of the crystal. Here, the commissioning of a movable double-bounce Si (111) monochromator at the 34-ID-C endstation of the Advanced Photon Source is reported, which aims at delivering multi-reflection BCDI as a standard tool in a single beamline instrument. The new instrument enables, through rapid switching from monochromatic to broadband (pink) beam, the use of Laue diffraction to determine crystal orientation. With a proper orientation matrix determined for the lattice, one can measure coherent diffraction patterns near multiple Bragg peaks, thus providing sufficient information to image the full strain tensor in 3D. The design, concept of operation, the developed procedures for indexing Laue patterns, and automated measuring of Bragg coherent diffraction data from multiple reflections of the same nanocrystal are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2001

Determination of a Two-Phase Structure of Nanocrystals: GaN and SiC

The properties of nano-crystalline materials are critically dependent on the structure of the constituent grains. Experimental conditions necessary to perform structural analysis of nanocrystalline materials as a two-phase core-surface shell system are discussed. It is shown, that a standard X-ray diffraction measurements and analysis are insufficient and may lead to incorrect conclusions as to the real structure of the materials. A new method of evaluation of powder diffraction data based on the analysis of the shift of the Bragg reflections from their perfect-lattice positions was developed. "Apparent lattice parameters" quantity, alp, was introduced and calculated from the actual positions of each individual Bragg reflection. The alp values plotted versus diffraction vector (Q) show characteristic features that are used for evaluation of the experimental results. The study was based on modeling of nano-grains and simulations of theoretical intensity profiles using the Debye functions. The method was applied to the analysis of synchrotron X-ray diffraction data of GaN and SiC nanocrystals. A presence of strained surface shell and a considerable internal pressure (GaN) in the nanoparticles was concluded.

Palosz, W.↗
NASA NTRS1995

Wind-Related Features and Processes on Venus Summary of Magellan Results

A search of Magellan synthetic aperture radar images covering about 98% of the venusian surface shows that aeolian features occur at all longitudes and latitudes. A global data base for wind streaks, the most common type of aeolian feature, was developed. For each of the 5970 streaks in the data base, information was compiled on location, streak type, radar backscatter, dimensions, azimuth, orientation with respect to local slope, and type of landform with which it is associated. In addition, streaks occurring in association with parabolic ejecta deposits were designated type P streaks, which constitute about 31% of the data base. Wind streak azimuths were analyzed to assess wind patterns at the time of their formation. Both hemispheres show strong westward and equatorward trends in azimuths, consistent with Hadley circulation and inferred upper atmospheric westward zonal winds. When type P streaks (those considered to result from transient impact events) were removed, the westward component was greatly reduced, suggesting that the upper zonal winds do not extend to the surface. The presence of equator-oriented streaks at high latitudes suggests that Hadley circulation extends to the poles. A field of possible yardangs found southwest of Mead Crater strikes NE-SW and occupies plains situated in a shallow topographic depression. Analysis of non-type P streaks in the area suggests that equatorward winds are funneled through the depression and are responsible for the erosion of the terrain to form the yardangs. Dune deposits are limited on Venus. Two dune fields were identified (Aglonice and Fortuna-Meshkenet) which total in area about 18,300 square km. Microdunes are proposed for some southern hemisphere areas which show distinctive radar reflectivities. Bragg scattering and/or subpixel reflections from the leeward faces of microdune bedforms could account for the unusual radar backscatter cross sections.

Greeley, Ronald↗
NASA NTRS1995

Wind-Related Features and Processes on Venus: Summary of Magellan Results

A search of Magellan synthetic aperture radar images covering approximately 98% of the venusian surface shows that aeolian features occur at all longitudes and latitudes. A global data base for wind streaks, the most common type of aeolian feature, was developed. For each of the 5970 streaks in the data base, information was compiled on location, streak type, radar backscatter, dimensions, azimuth, orientation with respect to local slope, and type of landform with which it is associated. In addition, streaks occurring in association with parabolic ejecta deposits were designated type P streaks, which constitute about 31% of the data base. Wind streak azimuths were analyzed to assess wind patterns at the time of their formation. Both hemispheres show strong westward and equatorward trends in azimuths, consistent with Hadley circulation and inferred upper atmospheric westward zonal winds. When type P streaks (those considered to result from transient impact events) were removed, the westward component was greatly reduced, suggesting that the upper zonal winds do not extend to the surface. The presence of equator-oriented streaks at high latitudes suggests that Hadley circulation extends to the poles. A field of possible yardangs found southwest of Mead Crater strikes NE-SW and occupies plains situated in a shallow topographic depression. Analysis of non-type P streaks in the area suggests that equatorward winds are funneled through the depression and are responsible for the erosion of the terrain to form the yardangs. Dune deposits are limited on Venus. Two dune fields were identified (Aglonice and Fortuna-Meshkenet) which total in area about 18,300 sq km. Microdunes are proposed for some southern hemisphere areas which show distinctive radar reflectivities. Bragg scattering and/or subpixel reflections from the leeward faces of microdune bedforms could account for the unusual radar backscatter cross sections.

Greeley, Ronald↗
DOE OSTI2017

Measurement and Interpretation of Diffuse Scattering in X-Ray Diffraction for Macromolecular Crystallography

X-ray diffraction from macromolecular crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering reflects the mean electron density in the unit cells of the crystal. The diffuse scattering arises from correlations in the variations of electron density that may occur from one unit cell to another, and therefore contains information about collective motions in proteins.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2001

Transport Through Carbon Nanotube Wires

This viewgraph presentation deals with the use of carbon nanotubes as a transport system. Contact, defects, tubular bend, phonons, and mechanical deformations all contribute to reflection within the nanotube wire. Bragg reflection, however, is native to an ideal energy transport system. Transmission resistance depends primarily on the level of energy present. Finally, the details regarding coupling between carbon nanotubes and simple metals are presented.

Anantram, M. P.↗
DOE OSTI2021

Graded Buffer Bragg Reflectors with High Reflectivity and Transparency for Metamorphic Optoelectronics

A graded buffer Bragg reflector (GBBR) is a bifunctional device component that provides the reflection of a distributed Bragg reflector and the adjustable lattice constant of a compositionally graded buffer. Prior work showed that these properties can be combined with low threading dislocation density and high reflectivity. Here, we design and demonstrate complex GBBRs for specific metamorphic solar cell applications. We design buffers that provide (1) high reflectivity over a narrow bandwidth, for quantum well solar cells, (2) reflectivity over a wide bandwidth, for optically thin solar cells, and (3) low sidelobe reflection, for multijunction devices that demand low out-of-band reflection. Apodized and triple GBBRs are demonstrated, and transparency is always considered, requiring designs with carefully engineered material combinations. A GBBR with a reflection of 99% is demonstrated, as well as a triple GBBR that has over 80% reflection for 100?nm of the spectrum around 800?nm. We also analyze potential deviations in a baseline GBBR from that of a perfect DBR using transmission electron microscopy to analyze imperfections in the material and modeling to analyze the impact of imperfect refractive index data for lattice-mismatched AlGaInAs. Minimal crosshatch roughness and unintentional thickness variation occur throughout the buffer, which likely influences reflection slightly. Small deviations between the calculated AlGaInAs and utilized AlGaAs refractive index exist, giving methods for future GBBR improvement. While the GBBR designs are intended for metamorphic solar cells, the broad and high reflection may also be useful for other optoelectronic devices such as light-emitting diodes or lasers.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2019

Structural Peculiarities of the Intermediate Phase in Zr-Rich Lead Zirconate Titanate

This paper presents the results of X-ray diffraction studies on a single crystal of lead zirconate titanate PbZr{sub 0.993}Ti{sub 0.007}O{sub 3} in the region of existence of an intermediate ferroelectric phase. In addition to the known superstructure reflections of the M type q{sub M} = {(1/2),(1/2),0} and the first-order satellite reflections q{sub M} + {δ, δ, δ}, unknown second-order satellites have been observed near q{sub M} and near the Bragg reflections. Structural model of regular system of antiphase domains is used for diffraction calculation. The model is shown to describe the first- and second-orders satellite reflections in the vicinity of q{sub M}, but it cannot explain the appearance of satellites around the main Bragg peaks. A possible origin of the system of the superstructures observed in the intermediate phase is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

X-ray optics for the cavity-based X-ray free-electron laser

A cavity-based X-ray free-electron laser (CBXFEL) is a possible future direction in the development of fully coherent X-ray sources. CBXFELs consist of a low-emittance electron source, a magnet system with several undulators and chicanes, and an X-ray cavity. The X-ray cavity stores and circulates X-ray pulses for repeated FEL interactions with electron pulses until the FEL reaches saturation. CBXFEL cavities require low-loss wavefront-preserving optical components: near-100%-reflectivity X-ray diamond Bragg-reflecting crystals, outcoupling devices such as thin diamond membranes or X-ray gratings, and aberration-free focusing elements. In the framework of the collaborative CBXFEL research and development project of Argonne National Laboratory, SLAC National Accelerator Laboratory and SPring-8, we report here the design, manufacturing and characterization of X-ray optical components for the CBXFEL cavity, which include high-reflectivity diamond crystal mirrors, a diamond drumhead crystal with thin membranes, beryllium refractive lenses and channel-cut Si monochromators. All the designed optical components have been fully characterized at the Advanced Photon Source to demonstrate their suitability for the CBXFEL cavity application.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Optical Anisotropy of Photonic Crystals of Cubic Symmetry Induced by Multiple Diffraction of Light

The optical spectra of Bragg reflection from opal-like photonic crystals under conditions of the resonant enhancement of the multiple diffraction of light have been studied experimentally and theoretically using the photonic crystal structures prepared of monodisperse polystyrene globules. It is shown that the reflection signal registered in mutually orthogonal configurations of the polarizer and analyzer is related to the intrinsic optical anisotropy of the crystals and is a specific manifestation of the multiple Bragg diffraction in three-dimensional photonic crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis

New higher-count-rate, integrating, large-area X-ray detectors with framing rates as high as 17400 images per second are beginning to be available. These will soon be used for specialized macromolecular crystallography experiments but will require optimal lossy compression algorithms to enable systems to keep up with data throughput. Some information may be lost. Can we minimize this loss with acceptable impact on structural information? To explore this question, we have considered several approaches: summing short sequences of images, binning to create the effect of larger pixels, use of JPEG-2000 lossy wavelet-based compression, and use of Hcompress, which is a Haar-wavelet-based lossy compression borrowed from astronomy. We also explore the effect of the combination of summing, binning, and Hcompress or JPEG-2000. In each of these last two methods one can specify approximately how much one wants the result to be compressed from the starting file size. These provide particularly effective lossy compressions that retain essential information for structure solution from Bragg reflections.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

2D Bragg Resonators Based on Planar Dielectric Waveguides (from Theory to Model-Based Testing)

Using analytical approaches and CST Microwave Studio 3D simulation, the electrodynamic characteristics of 2D Bragg resonators based on planar dielectric waveguides with doubly periodic corrugation are theoretically analyzed. Such resonators are of great interest to obtain directed narrow-band radiation in heterolasers with large active regions. Model electrodynamic experiments on the “cold” testing of such structures in the millimeter range are performed. Good agreement between the experimental and simulation results is shown, including the existence of the highest-Q mode within the Bragg reflection band in the absence of defects in the periodicity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Pressure-induced transformations of multiferroic relaxor PbFe 0.5 Nb 0.5 O 3

The effects of hydrostatic pressure at ambient temperature on the structural and dielectric properties of PbFe 0.5 Nb 0.5 O 3 (PFN) were investigated using second harmonic generation (SHG) and powder x-ray diffraction measurements to 31 GPa. The results demonstrate that PFN undergoes a pressure-induced structural transition from the R3$m$ ferroelectric to the $R$$\bar{3}m$ paraelectric phase. SHG measurements showed a continuous decrease in the signal with pressure and complete disappearance at 7.1 GPa. Effective nonlinear optical coefficients were determined from the SHG data, and their pressure behavior was used to infer the nature of the transition. The loss of the SHG signal is accompanied by drastic changes in line widths of Bragg reflections, but no discontinuous change in volume was observed. The pressure-volume data were fit to various equations of state, and a bulk modulus $K_0$ = 136 (±2) GPa, bulk modulus pressure derivative $K_0$ ' = 4.0 (±0.2), and initial volume $V_0$ = 64.5 (±0.1) Å 3 were obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Determination of Residual Stress in Quenched and Cold-Compressed 7050 Aluminum Alloy T-Section Forgings by the Contour Method and Neutron Diffraction

Residual stresses were determined through the thickness of quenched and quenched followed by cold compression 7050 aluminum alloy T-section forgings using the contour method and neutron diffraction. 7050 T-section forgings are used for the manufacture of the connecting joints of wing and fuselage. Inevitably high residual stresses are introduced during the quenching process of 7050 T-section forgings, which could be reduced by cold compression to overcome the effect of residual stress on machining deformation. The longitudinal residual stresses obtained by the two techniques achieved good agreement in both trend and magnitude in both the quenched and quenched followed by cold compression 7050 T-section forgings. The stress-free lattice spacing of Al(311), the Bragg reflection used for the neutron measurements, was obtained from a 5-mm slice using the plane-stress condition, and its variation through the thickness is insignificant in both the quenched specimen and quenched followed by cold compression specimen. A comparison of the residual stresses in the quenched specimen and quenched followed by cold compression specimen showed significant changes in range of residual stresses from (− 304, 262 MPa) induced by quenching process to (− 125, 142 MPa) due to 3% cold compression. The percentage reduction in residual stress in the quenched specimen due to 3% cold compression was (46, 59%).

36 MATERIALS SCIENCE↗
DOE OSTI2018

Double-Crystal Rocking Curve Simulation Using 2D Spectral Angular Diagrams of X-Ray Radiation

A new approach to numerical simulation of double-crystal rocking curves is proposed. This approach is based on the use of experimental spectral angular diagrams of X-ray intensity distribution. Special calculation algorithms, which take into account the instrumental function of X-ray diffractometer and possible effects of dispersion and Bragg reflection asymmetry, have been developed and applied. A specific feature of the proposed approach is the possibility of visualizing the 2D spectral angular diagram of X-ray beam after its interaction with each element of the scheme. The approach makes it possible to perform calculations for a wide range of radiation sources (from an X-ray tube with any anode to a synchrotron radiation source) and X-ray optical elements (slits and monochromators). A comparison of simulation results and experimental data for a Si(110) crystal sample has confirmed adequacy of the proposed approach and its applicability for simulating diffraction patterns recorded in real experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Fluorescence and lasing in an electric-field-induced periodic structure of a cholesteric liquid crystal

Fluorescence and lasing in a structure with an electric-field-induced spatially periodic director modulation in the plane of a planar-oriented layer of a cholesteric liquid crystal (CLC) is experimentally investigated. The thickness of the CLC layer is chosen close to the natural pitch of the cholesteric helix, which corresponds to the second Grandjean zone. The electric-field-induced periodic field of the CLC director leads to spatial modulation of the refractive index and the appearance of optical properties typical of 1D photonic crystals, when light propagating in the plane of the CLC layer experiences Bragg reflection. In polarised light, the induced spatial modulation of the refractive index manifests itself in the form of banded domains oriented in the plane of the CLC layer perpendicular to the original (unperturbed electric field) direction of the director in the centre of the layer. For the electric field strengths that correspond to fundamentally different distributions of the field of a CLC director, the fluorescence spectra of the DCM laser dye are studied both for different geometries (including the waveguide regime) and for different levels of optical pumping. In the range of electrical voltages corresponding to the induction of a spatially periodic photonic structure, multimode lasing in the waveguide regime is detected. It is shown that the mode composition of lasing depends on the electric field, which affects the properties of the distributed feedback. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2002

Effect of the Chemical State of the Surface on the Relaxation of the Surface Shell Atoms in SiC and GaN Nanocrystals

The effect of the chemical state of the surface of nanoparticles on the relaxation in the near-surface layer was examined using the concept of the apparent lattice parameter (alp) determined for different diffraction vectors Q. The apparent lattice parameter is a lattice parameter determined either from an individual Bragg reflection, or from a selected region of the diffraction pattern. At low diffraction vectors the Bragg peak positions are affected mainly by the structure of the near-surface layer, while at high Q-values only the interior of the nano-grain contributes to the diffraction pattern. Following the measurements on raw (as prepared) powders we investigated powders cleaned by annealing at 400C under vacuum, and the same powders wetted with water. Theoretical alp-Q plots showed that the structure of the surface layer depends on the sample treatment. Semi-quantitative analysis based on the comparison of the experimental and theoretical alp-Q plots was performed. Theoretical alp-Q relations were obtained from the diffraction patterns calculated for models of nanocrystals with a strained surface layer using the Debye functions.

Palosz, B.↗