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Results for “Diffractive computing”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Model-based iterative reconstruction with adaptive regularization for artifact reduction in electron tomography

Obtaining high-quality 3D reconstructions from electron tomography of crystalline particles embedded in lighter support elements is crucial for various material systems such as catalysts for fuel cell applications. However, significant challenges arise due to the limited tilt range, sparse and low signal-to-noise ratio of the measurements. In addition, small metal particles can cause strong streaking and shading artifacts in the 3D reconstructions when using conventional reconstruction algorithms due to the presence of Bragg diffraction and the large scattering cross-section difference between the materials of the particles and the background support regions. These artifacts lead to errors in the downstream characterization affecting extraction of critical features such as the size of the metal particles, their distribution and the volume of the lighter support regions. In this paper, we present a two-stage algorithm based on metal artifact reduction, utilizing model-based iterative reconstruction methods with adaptive adjustment of regularization parameters. Our approach yields high-quality 3D reconstructions compared to traditional algorithms, accurately capturing both the metal particles as well as the background support. We demonstrate the effectiveness of our algorithm through simulated and experimental bright-field electron tomography data, showing significant improvements in reconstruction quality compared to traditional methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Critical differences between electron beam melted and selective laser melted Ti-6Al-4 V

Effective optimization of the production of Ti-6Al-4 V using AM requires a fundamental understanding of the relative importance of different microstructural features to the deformation and failure mechanisms, particularly features that vary between production methods. In this study, the tensile response and deformation mechanisms of electron beam melted (EBM) AM Ti-6Al-4 V material loaded in different orientations and produced using various powder sizes were compared to those of selective laser melted (SLM) AM Ti-6Al-4 V material. The density and morphology of pores, phase fractions, prior-β grains, and defect microstructures were evaluated using scanning electron microscopy, X-ray computed tomography, electron backscatter diffraction, and transmission electron microscopy before and after deformation. The results were used to evaluate the relative importance of each feature on strengthening, deformation, and failure initiation mechanisms. Results focused primarily on coarse-powder EBM materials indicated that phase distribution and defect density were most influential for determining material yield strength as well as maximum possible strain to failure. Porosity was lower overall in EBM Ti-6Al-4 V than in SLM, allowing for occasional increases in part strain to failure, but remained a limiting factor determining overall part ductility.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Understanding Phase and Interfacial Effects of Spall Fracture in Additively Manufactured Ti-5Al-5V-5Mo-3Cr

Additive manufactured Ti-5Al-5V-5Mo-3Cr (Ti-5553) is being considered as an AM repair material for engineering applications because of its superior strength properties compared to other titanium alloys. Here, we describe the failure mechanisms observed through computed tomography, electron backscatter diffraction (EBSD), and scanning electron microscopy (SEM) of spall damage as a result of tensile failure in as-built and annealed Ti-5553. We also investigate the phase stability in native powder, as-built and annealed Ti-5553 through diamond anvil cell (DAC) and ramp compression experiments. We then explore the effect of tensile loading on a sample containing an interface between a Ti-6Al-V4 (Ti-64) baseplate and additively manufactured Ti-5553 layer. Post-mortem materials characterization showed spallation occurred in regions of initial porosity and the interface provides a nucleation site for spall damage below the spall strength of Ti-5553. Preliminary peridynamics modeling of the dynamic experiments is described. Finally, we discuss further development of Stochastic Parallel PARticle Kinteic Simulator (SPPARKS) Monte Carlo (MC) capabilities to include the integration of alpha (α)-phase and microstructural simulations for this multiphase titanium alloy.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Thermal expansion in the nickel-chromium-aluminum and cobalt-chromium-aluminum systems to 1200 degrees C

Thermal expansion data were obtained on 12 Ni-Cr-Al and 9 Co-Cr-Al alloys by high temperature X-ray diffraction. The data were computer fit to an empirical thermal expansion equation developed in the study. It is shown that the fit is excellent to good, and that the expansion constants depend on phase but not on composition. Phases for the Ni-Cr-Al system and Co-Cr-Al system are given. Results indicate that only alpha Cr has an expansion constant low enough to minimize oxide spalling or coating cracking induced by thermal expansion mismatch.

Lowell, C. E.↗
NASA NTRS1976

Computer modeling of electromagnetic problems using the geometrical theory of diffraction

Some applications of the geometrical theory of diffraction (GTD), a high frequency ray optical solution to electromagnetic problems, are presented. GTD extends geometric optics, which does not take into account the diffractions occurring at edges, vertices, and various other discontinuities. Diffraction solutions, analysis of basic structures, construction of more complex structures, and coupling using GTD are discussed.

Burnside, W. D.↗
NASA NTRS1984

Effects of spacecraft reflections on RF interferometer position location accuracy

This report describes one of three study tasks related to the application of an RF interferometer aboard a low-orbiting spacecraft to determine the location of ground-based transmitters. Computer modeling was used to estimate the error in the measured signal angle-of-arrival caused by reflection and diffraction off the spacecraft. Existing computer codes (NEC-BSC) were modified and used to determine the perturbation, due to the spacecraft, in the phase difference between two interferometer antennas, suspended on either side of the spacecraft. This phase perturbation was found as a function of the angle-of-arrival of the signal from a far-field source. The spacecraft antennas were assumed to be circularly polarized with a cardioid pattern. It was found that the perturbation was as much 12.4 deg within the + or - 60 deg field-of-view. This suggests that phase calibration and correction of phase measurements are essential for precision position location using this technique.

Wallace, R. G.↗
NASA NTRS2008

Micron-Accurate Laser Fresnel-Diffraction Ranging System

Two versions of an optoelectronic system undergoing development are depicted. The system is expected to be capable of measuring a distance between 2 and 10 m with an error of no more than 1 micrometer. The system would be designed to exploit Fresnel diffraction of a laser beam. In particular, it would be designed to take advantage of the fact that a Fresnel diffraction pattern is ultrasensitive to distance. The two versions would differ in the following respects: In version 1, the focus of the telescope would be in the Fresnel region, and the telescope would have a small depth of focus. As a consequence, the Fresnel pattern would be imaged directly onto the photodetector array; in version 2, a multielement lens module would displace the Fresnel region from the vicinity of the pinhole to the vicinity of the optical receiver. As the distance to be measured varied, the location of the receiver relative to the displaced Fresnel-diffraction region would vary, thereby causing the Fresnel diffraction pattern on the focal plane to vary. The multielement lens module would also correct for aberrations. The processing of the digitized Fresnel diffraction pattern in the computer might be accelerated by using only parts of the pattern or even only one small part - the central pixel. As the distance from the pinhole increased, the central pixel would rapidly cycle between maximum and minimum light intensity. This in itself would not be sufficient to uniquely determine the distance. However, by varying the size of the pinhole or the wavelength of the laser, one could obtain a second cycle of variation of intensity that, in conjunction with the first cycle, could enable a unique determination of distance. Alternatively, for a single wavelength and a single pinhole size, it should suffice to consider the data from only two different key pixels in the Fresnel pattern.

Lehner, David↗
NASA NTRS1994

Analog Phase Holograms by Electron Beam Lithography

Phase holograms have been created on the surface of a thin film of poly-methyl methacrylate (PMMA, Plexiglas) by direct-write electron beam (E-Beam) lithography. The process involves delivering a patterned exposure dose followed by partial development with a strong developer. The patterned dose derives from arbitrary computer-calculated holograms, which must be corrected for the sensitivity characteristic of the PMMA and for the effective point-spread function of the E-Beam.

phase↗
DOE OSTI2022

Defect identification in simulated Bragg coherent diffraction imaging by automated AI

X-ray Bragg coherent diffraction imaging is a powerful technique for operando and in situ materials characterization and provides a unique means of quantifying the influence of one-dimensional (1D) and two-dimensional (2D) material defects on material response. However, obtaining full images from raw x-ray diffraction data is nontrivial and computationally intensive, precluding real-time experimental feedback. Here, we present a machine learning approach to identify the presence of crystalline line defects (edge and screw) in samples from the raw, 2D, coherent diffraction data without the need for image reconstruction through iterative phase retrieval. Further, we compare different approaches to designing neural networks for this application and demonstrate the potential of automated ML (autoML) approaches.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Sound Diffraction Modeling of Rotorcraft Noise Around Terrain

A new computational technique, Wave Confinement (WC), is extended here to account for sound diffraction around arbitrary terrain. While diffraction around elementary scattering objects, such as a knife edge, single slit, disc, sphere, etc. has been studied for several decades, realistic environments still pose significant problems. This new technique is first validated against Sommerfeld's classical problem of diffraction due to a knife edge. This is followed by comparisons with diffraction over three-dimensional smooth obstacles, such as a disc and Gaussian hill. Finally, comparisons with flight test acoustics data measured behind a hill are also shown. Comparison between experiment and Wave Confinement prediction demonstrates that a Poisson spot occurred behind the isolated hill, resulting in significantly increased sound intensity near the center of the shadowed region.

Stephenson, James H.↗
NASA NTRS1982

Focal surfaces of offset dual-reflector antennas

An analytical technique is described for finding the best focal surfaces for offset-fed dual-reflector antennas. A ray tracing procedure traces the loci of rays incident on the main reflector onto a plane or 'screen' situated perpendicular to a central ray of the antenna system. Given, then, by computer graphics, the best feed locations for azimuth and elevation plane patterns, an aperture diffraction method is used which can compute the sidelobe levels and beamwidths resulting from aperture phase errors on scanned or multibeam patterns. High-magnification Cassegrain or Gregorian antennas, with tilt angles optimised according to Japanese criteria, produce excellent radiation diagrams many beamwidths from the central, unaberrated pattern direction.

Sletten, C. J.↗
NASA NTRS1993

High-frequency techniques for RCS prediction of plate geometries and a physical optics/equivalent currents model for the RCS of trihedral corner reflectors

Part 1 of this report continues the investigation, initiated in previous reports, of scattering from rectangular plates coated with lossy dielectrics. The hard polarization coefficients given in the last report are incorporated into a model, which includes second- and third-order diffractions, for the coated plate. Computed results from this model are examined and compared to measured data. A breakdown of the contribution of each of the higher-order terms to the total radar cross section (RCS) is given. The effectiveness of the uniform theory of diffraction (UTD) model in accounting for the coating effect is investigated by examining a Physical Optics (PO) model which incorporates the equivalent surface impedance approximation used in the UTD model. The PO, UTD, and experimental results are compared. Part 2 of this report presents a RCS model, based on PO and the Method of Equivalent Currents (MEC), for a trihedral corner reflector. PO is used to account for the reflected fields, while MEC is used for the diffracted fields. Single, double, and triple reflections and first-order diffractions are included in the model. A detailed derivation of the E(sub theta)-polarization, monostatic RCS is included. Computed results are compared with finite-difference time-domain (FDTD) results for validation. The PO/MEC model of this report compares very well with the FDTD model, and it is a much faster model in terms of computational speed.

Balanis, Constantine A.↗
DOE OSTI2025

Fast calculation of diffraction patterns from an ensemble of aligned molecules

We report an algorithm to calculate electron diffraction patterns for molecules with anisotropic angular distribution, which is significantly faster than existing methods. The algorithm uses a transform to convert the molecular orientation distribution, which is a function of three Euler angles, to the atom-pair distribution functions which depend on the polar and azimuthal angles. The diffraction signal can then be calculated from the atom-pair distributions. We demonstrate the computation method numerically by calculating electron diffraction patterns for a symmetric top molecule (trifluoroiodomethane) and an asymmetric top molecule (formaldehyde) and show that it reduces the calculation time by approximately two orders of magnitude compared to the standard brute-force method. Here, the method can also be applied to the calculation of x-ray diffraction patterns.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Structure and Synthesizability of Iron–Sulfur Metal–Organic Frameworks

Sulfur-based metal–organic frameworks (MOFs) and coordination polymers (CPs) are an emerging class of hybrid materials that have received growing attention due to their magnetic, conductive, and catalytic properties with potential applications in electrocatalysis and energy storage. In this work, we report a high-throughput virtual screening protocol to predict the synthesizability of candidate metal–sulfur MOFs/CPs by computing the thermodynamically stable structures resulting from a particular combination of metal cluster, linker, cation, and synthetic conditions. Free energies are computed by using all-atom classical mechanical thermodynamic integration. Low-free-energy structures are refined using ab initio density functional theory, and pair distribution functions and powder X-ray diffraction patterns are calculated to complement and guide experimental structure determination. We validate the computational approach by retrospective predictions of the stable structure produced by experimental syntheses, and a subsequent screen predicts Fe 4 S 4 -BDT–TPP as a new thermodynamically stable one-dimensional (1D) CP comprising a redox-active Fe 4 S 4 cluster, a 1,4-benzenedithiolate (BDT) linker, and a tetraphenylphosphonium (TPP) countercation. Furthermore, this material is experimentally synthesized, and the 1D chain structure of the crystal is confirmed using microcrystal electron diffraction. The computational screening pipeline is generically transferable to neutral and ionic MOFs/CPs comprising arbitrary metal clusters, linkers, cations, and synthetic conditions, and we make it freely available as an open source tool to guide and accelerate the discovery and engineering of novel porous materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Super-resolution computational saturated absorption microscopy

Imaging beyond the diffraction limit barrier has attracted wide attention due to the ability to resolve previously hidden image features. Of the various super-resolution microscopy techniques available, a particularly simple method called saturated excitation microscopy (SAX) requires only simple modification of a laser scanning microscope: The illumination beam power is sinusoidally modulated and driven into saturation. SAX images are extracted from the harmonics of the modulation frequency and exhibit improved spatial resolution. Unfortunately, this elegant strategy is hindered by the incursion of shot noise that prevents high-resolution imaging in many realistic scenarios. Here, we demonstrate a technique for super-resolution imaging that we call computational saturated absorption (CSA) in which a joint deconvolution is applied to a set of images with diversity in spatial frequency support among the point spread functions (PSFs) used in the image formation with saturated laser scanning fluorescence microscopy. CSA microscopy allows access to the high spatial frequency diversity in a set of saturated effective PSFs, while avoiding image degradation from shot noise.

Murray, Gabe (ORCID:0000000295655485)↗
NASA NTRS1972

Analysis of a dual-reflector antenna system using physical optics and digital computers

The application of physical-optics diffraction theory to a deployable dual-reflector geometry is discussed. The methods employed are not restricted to the Conical-Gregorian antenna, but apply in a general way to dual and even multiple reflector systems. Complex vector wave methods are used in the Fresnel and Fraunhofer regions of the reflectors. Field amplitude, phase, polarization data, and time average Poynting vectors are obtained via an IBM 360/91 digital computer. Focal region characteristics are plotted with the aid of a CalComp plotter. Comparison between the GSFC Huygens wavelet approach, JPL measurements, and JPL computer results based on the near field spherical wave expansion method are made wherever possible.

Schmidt, R. F.↗