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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

In Situ Synchrotron X-ray Diffraction Investigations of the Nonlinear Deformation Behavior of a Low Modulus β -Type Ti36Nb5Zr Alloy

The low modulus β-type Ti alloys usually have peculiar deformation behaviors due to their low phase stability. However, the study of the underlying mechanisms is challenging since some physical mechanisms are fully reversible after the release of the load. In this paper, the deformation behavior of a low modulus β-type Ti36Nb5Zr alloy was investigated with the aid of in situ synchrotron X-ray diffraction (SXRD) during tensile loading. The evolution of lattice strains and relative integrated diffraction peak intensities of both the β and α” phases were analyzed to determine the characteristics of the potential deformation mechanisms. Upon loading, the α” diffraction spots appeared at specific azimuth angles of the two-dimensional SXRD patterns due to the <110> fiber texture of original β grains and the selection of favorable martensitic variants. The nonlinear deformation behavior originated from a reversible stress-induced martensitic transformation (SIMT). However, the SIMT contributed a little to the large recoverable strain of over 2.0%, which was dominated by the elastic deformation of the β phase. Various deformation mechanisms were activated successively at different applied strains, including elastic deformation, SIMT and plastic deformation. Our investigations provide in-depth understandings of the deformation mechanisms in β-type Ti alloys with low elastic modulus.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Complex space multipole theory for scattering and diffraction problems

Classical multipole theory can be extended to multipoles located in complex space and applied in scattering and diffraction problems with the advantage that, if the point of the multipole is correctly chosen, the first term may give an order of magnitude better approximation to the source than when the multipole is in real space. The basic theory, given elsewhere, is presented here in a more straightforward manner and the improvement in radiation pattern is demonstrated for sources of constant polarization. Applications on scattering by spheroidal dielectric bodies and diffraction by a dielectric half-space are discussed.

Lindell, Ismo V.↗
DOE OSTI2022

Simulation of the Impact of Point Defects and Edge Dislocations on X-Ray Diffraction in Hexagonal (Ni,Co) 1+2 x Ti 1– x O 3 Thin Films

In this work, a computer code for simulating high-resolution X-ray diffraction (XRD) data from disordered crystals with arbitrary spatial composition and local lattice parameters is developed. Simulated patterns are compared with the experimental data collected on a single phase, highly crystalline (Ni 0.42 Co 0.58 ) 2.22 Ti 0.39 O 3 solid-solution thin film exhibiting a large number of subsidiary minima. As a case study, the edge dislocations in hexagonal (Ni,Co) 3 O 3 thin films with Burgers vector parallel and perpendicular to the a-axis and c-axis, respectively, are modeled. No peak profiles are assumed and thus issues related to profile fitting are avoided. Both macroscopic features, such as film thickness, and atomic-scale structure, such as dislocations, are simultaneously modeled. Simulations are run on a desktop machine. Commonly applied database-based phase identification routines can result in wrong phase identification, unless intensities are properly modeled. Modeling tools of diffractometer manufacturers are compared with the present approach. An example of how simulated reciprocal lattice patterns can be used to choose relevant measurement geometries in defected thin films is given.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

Jacobi-Bessel Analysis Of Antennas With Elliptical Apertures.

Coordinate transformation improves convergence pattern analysis of elliptical-aperture antennas. Modified version of Jacobi-Bessel expansion for vector diffraction analysis of reflector antennas uses coordinate transformation to improve convergence with elliptical apertures. Expansion converges rapidly for antennas with circular apertures, but less rapidly for elliptical apertures. Difference in convergence behavior between circular and elliptical Jacobi-Bessel algorithms indicated by highest values of indices m, n, and p required to achieve same accuracy in computed radiation pattern of offset paraboloidal antenna with elliptical aperture.

Rahmat-Samii, Y.↗
NASA NTRS1996

Diffractive Optical Elements for Lidar Beam Scanning

Wind measurement from space can provide critical data for understanding weather patterns and large-scale storm phenomena. An instrument for providing such measurements is currently under development at NASA's Marshall Space Flight Center. The instrument utilizes a pulsed coherent lidar system operating at a wavelength of 2.06 micrometers in order to achieve decreased weight, size, and cost compared to systems operating at longer wavelengths, and it is being developed to be compatible with the capabilities of small satellites. A key aspect of such an orbital lidar system is that the beam must be conically scanned after it exits the final beam expansion telescope. Previous work indicates that the aperture of the beam expansion telescope should be 50 cm with a scanner half-angle of 300 and a rotation rate of 10 RPM. The critical requirements for the beam scanning element include a 50 cm aperture, an induced wavefront error of less than lambda/10, and high efficiency deflection (i.e., 95+ % of the incident light is deflected). This report is intended to provide a brief overview and discussion of potential technologies for space-borne laser radar (lidar) beam scanning.

Nordin, Gregory P.↗
DOE OSTI2023

SpeckleNN: a unified embedding for real-time speckle pattern classification in X-ray single-particle imaging with limited labeled examples

With X-ray free-electron lasers (XFELs), it is possible to determine the three-dimensional structure of noncrystalline nanoscale particles using X-ray single-particle imaging (SPI) techniques at room temperature. Classifying SPI scattering patterns, or `speckles', to extract single-hits that are needed for real-time vetoing and three-dimensional reconstruction poses a challenge for high-data-rate facilities like the European XFEL and LCLS-II-HE. Here, we introduce SpeckleNN, a unified embedding model for real-time speckle pattern classification with limited labeled examples that can scale linearly with dataset size. Trained with twin neural networks, SpeckleNN maps speckle patterns to a unified embedding vector space, where similarity is measured by Euclidean distance. We highlight its few-shot classification capability on new never-seen samples and its robust performance despite having only tens of labels per classification category even in the presence of substantial missing detector areas. Without the need for excessive manual labeling or even a full detector image, our classification method offers a great solution for real-time high-throughput SPI experiments.

47 OTHER INSTRUMENTATION↗
NASA NTRS2016

Mineralogy, Provenance, and Diagenesis of a Potassic Basaltic Sandstone on Mars: CheMin X-Ray Diffraction of the Windjana Sample (Kimberley Area, Gale Crater)

The Windjana drill sample, a sandstone of the Dillinger member (Kimberley formation, Gale Crater, Mars), was analyzed by CheMin X-ray diffraction (XRD) in the MSL Curiosity rover. From Rietveld refinements of its XRD pattern, Windjana contains the following: sanidine (21% weight, approximately Or(sub 95)); augite (20%); magnetite (12%); pigeonite; olivine; plagioclase; amorphous and smectitic material (approximately 25%); and percent levels of others including ilmenite, fluorapatite, and bassanite. From mass balance on the Alpha Proton X-ray Spectrometer (APXS) chemical analysis, the amorphous material is Fe rich with nearly no other cations-like ferrihydrite. The Windjana sample shows little alteration and was likely cemented by its magnetite and ferrihydrite. From ChemCam Laser-Induced Breakdown Spectrometer (LIBS) chemical analyses, Windjana is representative of the Dillinger and Mount Remarkable members of the Kimberley formation. LIBS data suggest that the Kimberley sediments include at least three chemical components. The most K-rich targets have 5.6% K2O, approximately 1.8 times that of Windjana, implying a sediment component with greater than 40% sanidine, e.g., a trachyte. A second component is rich in mafic minerals, with little feldspar (like a shergottite). A third component is richer in plagioclase and in Na2O, and is likely to be basaltic. The K-rich sediment component is consistent with APXS and ChemCam observations of K-rich rocks elsewhere in Gale Crater. The source of this sediment component was likely volcanic. The presence of sediment from many igneous sources, in concert with Curiosity's identifications of other igneous materials (e.g.,mugearite), implies that the northern rim of Gale Crater exposes a diverse igneous complex, at least as diverse as that found in similar-age terranes on Earth.

Treiman, Allan H.↗
NASA NTRSDate not supplied

In-situ Testing to Acquire HR-EBSD and DIC Strain Data Within a Coincident Domain

For this project, an inked rubber stamp was applied to a small Inconel 625 specimen. The stamp transferred a thin pattern with microscale features for digital image correlation (DIC). The pattern is easily visible at lower voltages and thin enough to not obstruct backscattered electrons. The unique characteristics of the pattern enabled the concurrent acquisition of DIC and high-resolution electron backscatter diffraction (HR-EBSD) data while the specimen was loaded in-situ. The challenges of in-situ testing and combining EBSD with DIC measurements are discussed. By combining the elastic strains (from HR-EBSD) and total strains (from DIC) the result of this approach is an estimate of stress- strain behavior at points across the specimen surface. This combined dataset can then be used as higher-fidelity data in the calibration of crystal plasticity models.

Will Gilliland↗
NASA NTRS1995

Analysis of elliptically polarized cavity backed antennas using a combined FEM/MoM/GTD technique

Radiation pattern prediction analysis of elliptically polarized cavity backed aperture antennas in a finite ground plane is carried out using a combined finite element method (FEM)/method of moments (MoM)/geometrical theory of diffraction (GTD) technique. The magnetic current on the cavity-backed aperture in an infinite ground plane is calculated using the combined FEM/MoM analysis. GTD, including the slope diffraction contribution, is used to calculate the diffracted fields due to both soft and hard polarizations at the edges of the finite ground plane. Numerical results for the radiation patterns of a cavity backed circular spiral microstrip patch antenna excited by a coaxial probe in a finite rectangular ground plane are computed and compared with experimental results.

Reddy, C. J.↗
DOE OSTI2023

Mapping nanocrystal orientations via scanning Laue diffraction microscopy for multi-peak Bragg coherent diffraction imaging

The recent commissioning of a movable monochromator at the 34-ID-C endstation of the Advanced Photon Source has vastly simplified the collection of Bragg coherent diffraction imaging (BCDI) data from multiple Bragg peaks of sub-micrometre scale samples. Laue patterns arising from the scattering of a polychromatic beam by arbitrarily oriented nanocrystals permit their crystal orientations to be computed, which are then used for locating and collecting several non-co-linear Bragg reflections. The volumetric six-component strain tensor is then constructed by combining the projected displacement fields that are imaged using each of the measured reflections via iterative phase retrieval algorithms. Complications arise when the sample is heterogeneous in composition and/or when multiple grains of a given lattice structure are simultaneously illuminated by the polychromatic beam. Here, a workflow is established for orienting and mapping nanocrystals on a substrate of a different material using scanning Laue diffraction microscopy. The capabilities of the developed algorithms and procedures with both synthetic and experimental data are demonstrated. The robustness is verified by comparing experimental texture maps obtained with Laue diffraction microscopy at the beamline with maps obtained from electron back-scattering diffraction measurements on the same patch of gold nanocrystals. Such tools provide reliable indexing for both isolated and densely distributed nanocrystals, which are challenging to image in three dimensions with other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals

The crystallization of recombinant proteins in living cells is an exciting new approach in structural biology. Recent success has highlighted the need for fast and efficient diffraction data collection, optimally directly exposing intact crystal-containing cells to the X-ray beam, thus protecting the in cellulo crystals from environmental challenges. Serial femtosecond crystallography (SFX) at free-electron lasers (XFELs) allows the collection of detectable diffraction even from tiny protein crystals, but requires very fast sample exchange to utilize each XFEL pulse. Here, an efficient approach is presented for high-resolution structure elucidation using serial femtosecond in cellulo diffraction of micometre-sized crystals of the protein HEX-1 from the fungus Neurospora crassa on a fixed target. Employing the fast and highly accurate Roadrunner II translation-stage system allowed efficient raster scanning of the pores of micro-patterned, single-crystalline silicon chips loaded with living, crystal-containing insect cells. Compared with liquid-jet and LCP injection systems, the increased hit rates of up to 30% and reduced background scattering enabled elucidation of the HEX-1 structure. Using diffraction data from only a single chip collected within 12 min at the Linac Coherent Light Source, a 1.8 Å resolution structure was obtained with significantly reduced sample consumption compared with previous SFX experiments using liquid-jet injection. This HEX-1 structure is almost superimposable with that previously determined using synchrotron radiation from single HEX-1 crystals grown by sitting-drop vapour diffusion, validating the approach. This study demonstrates that fixed-target SFX using micro-patterned silicon chips is ideally suited for efficient in cellulo diffraction data collection using living, crystal-containing cells, and offers huge potential for the straightforward structure elucidation of proteins that form intracellular crystals at both XFELs and synchrotron sources.

Lahey-Rudolph, J. Mia (ORCID:0000000152797267)↗
NASA NTRS1993

Diffraction Analysis Of Reflector Antennas

POMESH is computer program capable of predicting performance of reflector antennas. Calculates both farfield patterns and gains by use of physical-optics approximation of equivalent surface currents. Intended for relatively small reflectors. Useful in situations in which surfaces described by irregular data that must be interpolated and in which surface derivatives not known. Flexible and robust. Also calculates near fields and useful for subreflector computations. Written in FORTRAN 77.

Hodges, Richard E.↗
DOE OSTI2026

Entropy-mode-driven gas optics

We propose a class of gaseous diffractive optical elements created by imprinting an entropy mode in a gas. Previous approaches to gaseous diffractive optics have relied on the simultaneous excitation of a standing acoustic wave and an entropy mode to produce one-dimensional periodic structures. However, the presence of acoustic oscillations in the gas imposes stringent constraints on some of the operational parameters of these optical elements, such as their lifetime and diffraction angle. Here, in this work, we introduce an approach that eliminates the acoustic mode, relying solely on the entropy mode. This enables control of the lifetime and temporal profile of gaseous optical elements, and also allows the creation of arbitrary structures with greater contrast, including nonperiodic patterns such as chirped gratings or lenses. This approach should allow operation over a wider parameter space, including larger diffraction angles and compatibility with laser pulse durations ranging from femtoseconds to microseconds.

Optics and optical instruments↗
NASA NTRSDate not supplied

Curved Diffractive X-ray Optics for X-ray Astronomy

We report on a concept for curved diffractive X-ray optics (CDXO). CDXO would enable potential new optical designs for X-ray instruments, such as a two element spectrometer, in which the secondary element of an X-ray mirror pair is patterned with an X-ray grating. A two-element spectrometer design eliminates the grating assembly, resulting in decreased instrument mass and reduced power requirements. In addition, a two-element spectrometer may realize cost/schedule savings by eliminating a separate grating alignment effort, and yield increased effective area over three element designs. We present a raytrace concept study of a two-element spectrometer compact enough to fit within a sounding rocket payload. We also review the progress made in electron-beam lithography (EBL) techniques that would enable curved diffractive X-ray optics to be patterned, and outline a procedure by which the accuracy of the EBL patterning process can be measured interferometrically.

Casey T. DeRoo↗
NASA NTRS1991

Analyses of near- and far-field two-lobe patterns outside the output endface of a two-mode fiber

The behaviors of the near- and far-field two-lobe radiation patterns from a circular-core two-mode fiber are studied by using both the mode and Kirchhoff diffraction theories. The electric field outside the output endface of the fiber is derived from the electric field distribution of the LP sub 01 and LP sub 11 modes at the fiber endface using the Kirchhoff diffraction formula. Different phenomena are studied by solving this expression numerically at near-and far-fields. The Gouy phase shifts are quantitatively evaluated at cross-sections of the near field. The results reveal the distortion and dislocation of the far-field two-lobe pattern induced by an inclination angle of the fiber endface.

Wang, A.↗
DOE OSTI2021

IMS Rapid Response FY21 Summary Report for: Integrating Patterned Probes with Four-Dimensional Scanning Transmission Electron Microscopy for Unrivaled Crystallographic Structure Determination in Nanomaterials

The initial goal of our 4-dimensional scanning transmission electron microscopy (4D-STEM)-based project was to develop strain resolution two orders of magnitude better than what is now currently possible with electron-based scattering techniques, all while collecting scattering information from 7 different tilt axes at one time [multi-beam electron diffraction (MBED)1 ] through the development of a new electron probe-forming aperture with non-circular features (patterned probes 2 ). We set out to accomplish this through a collaboration with Drs. Colin Ophus and Ben Savitsky at Lawrence Berkeley Laboratory (they are the world-leading experts in developing the complex computational codes required to perform orientation analysis and quantitative strain mapping on our 4D-STEM data sets. We are motivated to invest in this area as it will be the only technique sensitive enough to perform three- dimensional automated crystallographic orientation mapping (ACOM) and strain mapping for materials exposed to external stimulus (a focus of our larger efforts).

36 MATERIALS SCIENCE↗
DOE OSTI2022

NSUF Report EBSD analyses on metallic fuel samples: Tips and improvements in sample preparation

EBSD (Electron Backscatter Diffraction) is an analytic technique used to evaluate the microstructure of a specimen. It can be used to evaluate interesting crystallographic data ranging from grains size to grain orientation, from grain boundaries to stresses. Moreover, in the field of nuclear materials EBSD can aid in estimating properties important for reactor performance, such as dislocation and residual strain [1]. EBSD patterns are generated by focusing a stationary electron gun on the specimen and detecting the backscatter electrons that satisfy Bragg conditions, and thus are diffracted by the crystal planes forming the so called Kikuchi bands. These bands correspond to each of the lattice diffracting crystal planes and are detected on a phosphor screen via a low-light CCD camera [2]. The patterns are generated within a small interaction volume located at a depth of less than 50-100 nm. Because of this, the data quality is extremely sensitive to the integrity of the crystallographic lattice order at the surface of the sample and thus to sample preparation and to oxidation [3]. While conventional sample preparation methods are widely used in materials science, they often do not lead to quality electron backscatter patterns needed for the characterization of nuclear materials [4]. This has been related by many authors to the challenges associated with handling radiological specimens, their rapid oxidation, and artifacts in such samples (e.g. high number of defects, precipitates and/or porosities) [4-8]. EBSD, however, can be an invaluable technique to evaluate microstructural evolution during fabrication and after irradiation at the required mesoscale for model and simulation. It also provides important information on grain structure necessary to understand irradiation effect, such as grain subdivision. Thus, it is of paramount importance to further the application of this technique to nuclear materials and especially irradiated fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Probing elemental speciation in hydrochar produced from hydrothermal liquefaction of anaerobic digestates using quantitative X-ray diffraction

Valorization of hydrochar, a solid byproduct from hydrothermal liquefaction (HTL) of anaerobically-digested agriculture wastes (digestates), requires fundamental knowledge of elemental speciation. This study investigated the effects of reaction temperatures (320–360 °C), digestate pH (3.5–8), and digestate cellulose-to-lignin ratios (0.2–1.8) on the speciation (chemical form) and composition of organics and inorganics in hydrochars produced during hydrothermal treatment. Quantitative X-ray diffraction (XRD) method was the primary technique used to characterize hydrochars. The comprehensive XRD pattern processing including the Rietveld refinement protocols demonstrated that the organic phase was comprised of mostly crystalline monocyclic, heterocyclic, and polycyclic aromatics with diverse aliphatic and aromatic substituents, while the inorganic mineral phase consisted of calcium-phosphates, magnesium-phosphates, calcium-carbonates, and magnesium-carbonates. Further, XRD results were validated by the elemental yields of products and the distribution of chemical functionalities measured using solid-state nuclear magnetic resonance (NMR) spectroscopy. The characterization data were used to evaluate proposed mechanistic pathways using compositional analysis of biocrude and aqueous-phase coproducts. Mechanistic pathways developed in the study suggested that benzoic acids, phenols, benzaldehydes, phenolic aldehydes, α-dicarbonyls, and α-hydroxycarbonyls were responsible for the precipitation of organics through various reactions depending on operating conditions. Meanwhile, the formation of inorganic compounds appeared to be consistently represented by reactions including dehydration, hydrolysis, endergonic reduction, and structure rearrangement of native minerals in the digestates. This study provides basic knowledge needed to create and assess potential elemental speciation pathways. In addition, the results of the study facilitate the specification of process conditions to optimize targeted utilization routes of hydrochar for more economically-feasible and sustainable HTL processing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗