SEARCH · Engineering Papers

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18

All sources NASA NTRS DOE OSTI

NASA NTRS1982

Highly versatile computer-controlled television detector system

A description is presented of a television detector system which has been designed to accommodate a wide range of applications. It is currently being developed for use in X-ray diffraction, X-ray astrophysics, and electron microscopy, but it is also well suited for astronomical observations. The image can be integrated in a large, high-speed memory system, in the memory of a computer system, or the target of the TV tube or CCD array. The detector system consists of a continuously scanned, intensified SIT vidicon with scan and processing electronics which generate a digital image that is integrated in the detector memory. Attention is given to details regarding the camera system, scan control and image processing electronics, the memory system, and aspects of detector performance.

Kalata, K.↗

DOE OSTI2026

The ABCs of phase retrieval: Connecting the acronyms of scanning transmission electron microscopy

High-resolution scanning transmission electron microscopy (S/TEM) is an indispensable tool for characterizing the structure and properties of materials down to the atomic scale. Conventional S/TEM imaging, however, is limited by the phase problem, whereby the phase of the electron exit wave is lost upon detection. Recent advances in diffractive imaging and 4D-STEM have enabled a range of phase-retrieval techniques that computationally reconstruct the missing information encoded in the phase of the transmission function. These approaches offer improved dose efficiency and enhanced sensitivity to weakly scattering signals, extending quantitative imaging to beam-sensitive materials composed of light elements. In this work, we introduce the phase problem in electron microscopy and survey the diverse landscape of phase-retrieval techniques used in the field. Despite their many acronyms and algorithmic variations, these techniques share a common physical and mathematical foundation. We present a unified framework that connects these seemingly distinct methods, from parallax imaging and tilt-corrected bright-field (tcBF-STEM), to aberration-corrected bright-field (acBF-STEM), optimum bright-field (OBF-STEM) and single-sideband (SSB) ptychography, as well as first-moment integrated center of mass techniques (iCOM) and iterative ptychographic algorithms. Based on these insights, we discuss the opportunities and practical limitations of applying these methods across different materials systems, detector designs, and microscope configurations.Graphical abstractRepresentative electron microscopy configurations used for phase retrieval and diffractive imaging in S/TEM: (a) Zernike phase-contrast transmission electron microscopy (TEM), (b) small-convergence-angle four-dimensional scanning transmission electron microscopy (4D-STEM) for nanobeam-based phase reconstruction methods, and (c) large-convergence-angle 4D-STEM for ptychographic and related diffractive imaging techniques reviewed in this work.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Impact of fission product inclusion on phase development in U 3 Si 2 fuel

Due to its high thermal conductivity and uranium density, U 3 S i2 has been considered as a candidate for use as an accident tolerant fuel (ATF). In order to fully assess its suitability and performance as a fuel, the impact of fission products (FPs) on the stability and performance of U 3 Si 2 must be investigated. The interactions of FPs and U 3 Si 2 have had relatively little study until now and require experimental and computational examination. U 3 Si 2 was doped with individual FPs to explore U-Si-FP interactions and phase equilibria that may impact the performance of the ATF during irradiation. Elemental Ce, Mo, Y, or Zr were used to individually dope U 3 Si 2 at a concentration of 5 wt% FP. A diffusion couple of a 1:1 Mo:Zr alloy and U 3 Si 2 was heated to 1200 °C in order to consider the impacts of multiple FPs on the stability and structure of the fuel. Samples were characterized for FP solubility and secondary phase formation using electron microscopy, energy dispersive spectroscopy, and x-ray diffraction. First principles density functional theory calculations complemented the experimental effort to understand FP behavior. Experimental and computational findings were used in the development of a thermodynamic database containing 8 major FPs and their associated silicide phases. Finally, fuel compositions generated from depletion calculations were used to thermodynamically model the equilibrium phases of the fuel undergoing burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Phase Composition and Phase Transformation of Additively Manufactured Nickel Alloy 718 AM Bench Artifacts

Additive manufacturing (AM) technologies offer unprecedented design flexibility but are limited by a lack of understanding of the material microstructure formed under their extreme and transient processing conditions and its subsequent transformation during post-build processing. As part of the 2022 AM Bench Challenge, sponsored by the National Institute of Standards and Technology, this study focuses on the phase composition and phase evolution of AM nickel alloy 718, a nickel-based superalloy, to provide benchmark data essential for the validation of computational models for microstructural predictions. Here, we employed high-energy synchrotron X-ray diffraction, in situ synchrotron X-ray scattering, as well as high-resolution transmission electron microscopy for our analyses. The study uncovers critical aspects of the microstructure in its as-built state, its transformation during homogenization, and its phase evolution during subsequent aging heat treatment. Specifically, we identified secondary phases, monitored the dissolution and coarsening of microstructural elements, and observed the formation and stability of γ ’ and γ ” phases. The results provide the rigorous benchmark data required to understand the atomic and microstructural transformations of AM nickel alloy 718, thereby enhancing the reliability and applicability of AM models for predicting phase evolution and mechanical properties.

36 MATERIALS SCIENCE↗

DOE OSTI2026

In-Situ Visualization of a Growing Brittle Crack in Aluminum Oxynitride Using Synchrotron X-Rays and the Double-Cleavage Drilled Compression Geometry

Brittle fracture is difficult to study in situ due to the speed of a growing crack and the often-catastrophic nature of failure in brittle materials. As a result, the influence of microstructural considerations, such as orientation, grain boundary locations, and strain field, on the crack path remains poorly understood. Presented in this study is a method addressing this knowledge gap, which utilizes the double-cleavage drilled compression geometry to achieve quasi-stable fracture in aluminum oxynitride (AlON). Synchrotron X-ray micro-computed tomography is used to characterize the crack shape and length, while high-energy diffraction microscopy provides information on the strains, orientations, and shapes of grains in the microstructure surrounding the crack tip. During testing, the crack grew in discrete and irregular jumps while the fracture toughness falls within reported ranges. The crack in AlON is found to have no greater tendency to crack intergranularly as compared to transgranularly, and grains which are cracked transgranularly do not display a trend in orientation or stress when compared to those around which the crack followed a grain boundary. The high resolution of the crack path and microstructural data provides a path forward for modeling and understanding 3D brittle fracture.

Gorske, Sara F.↗

NASA NTRS1978

Forwardscattering corrections for optical extinction measurements in aerosol media. II - Polydispersions

The paper presents a parametric study of the forwardscattering corrections for experimentally measured optical extinction coefficients in polydisperse particulate media, since some forward scattered light invariably enters, along with the direct beam, into the finite aperture of the detector. Forwardscattering corrections are computed by two methods: (1) using the exact Mie theory, and (2) the approximate Rayleigh diffraction formula for spherical particles. A parametric study of the dependence of the corrections on mode radii, real and imaginary parts of the complex refractive index, and half-angle of the detector's view cone has been carried out for three different size distribution functions of the modified gamma type. In addition, a study has been carried out to investigate the range of these parameters in which the approximate formulation is valid. The agreement is especially good for small-view cone angles and large particles, which improves significantly for slightly absorbing aerosol particles. Also discussed is the dependence of these corrections on the experimental design of the transmissometer systems.

Deepak, A.↗

NASA NTRS1985

Application of Modern Aperture Integration (AI) and Geometrical Theory of Diffraction (GTD) Techniques for Analysis of Large Reflector Antennas

The application of aperture integration (AI) and geometrical theory of diffraction (GTO) techniques to analyze large reflector antennas is outlined. The following techniques were used: computer modeling, validation of analysis and computer codes, computer aided design modifications, limitation on the conventional aperture integration (AIC) method, extended aperture integration (AIE) method, the AIE method for feed scattering calculations, near field probing predictions for 15 meter model, limitation on AIC for surface tolerance effects, aperture integration on the surface (AIS) method, and AIC and GTD calculations for compact range reflector.

Rudduck, R. C.↗

NASA NTRS1985

Effects of deterministic surface distortions on reflector antenna performance

Systematic distortions of reflector antenna surfaces can cause antenna radiation patterns to be undesirably different from those of perfectly smooth reflector surfaces. In this paper, a simulation model for systematic distortions is described which permits an efficient computation of the effects of distortions in the reflector pattern. The model uses a vector diffraction physical optics analysis for the determination of both the co-polar and cross-polar fields. An interpolation scheme is also presented for the description of reflector surfaces which are prescribed by discrete points. Representative numerical results are presented for reflectors with sinusoidally and thermally distorted surfaces. Finally, comparisons are made between the measured and calculated patterns of a slowly-varying distorted offset parabolic reflector.

Rahmat-Samii, Y.↗

DOE OSTI2023

A scalable transformer model for real-time decision making in neutron scattering experiments

The U.S. Department of Energy's (DOE's) neutron research facilities at Oak Ridge National Laboratory (ORNL), including the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source (SNS), are a state-of-the-art neutron scattering facility that allows researchers to study the structure and dynamics of materials at the atomic scale. At the SNS, neutrons are measured using the time-of-flight (TOF) technique as they move through a neutron beamline to interact with a sample. Large volumes of neutron scattering data are collected and recorded in neutron event mode. Optimal productivity of the TOF instrument is limited due to the lack of real-time data analysis tools. The large amount of data generated by the experiments can be challenging to process and analyze in real time, particularly for experiments that require rapid feedback and adjustment of experimental parameters. The regular computer/workstation cannot keep up with the experiment speed to provide real-time feedback to adjust experimental parameters, so connecting the supercomputers available to the neutron facility is necessary to achieve real-time data analysis and experiment steering. To address this challenge, we exploit the Frontier supercomputer at Oak Ridge Leadership Computing Facility (OLCF) to train a scalable temporal fusion transformer model for real-time decision making of TOF neutron scattering experimentation. Here, in this paper, we present the results using Frontier to provide the processing power needed to rapidly process and analyze large volumes of single-crystal diffraction data collected at TOPAZ, a neutron time-of-flight Laue single-crystal diffractometer at the SNS.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Recent Trends in the Analysis of Quasioptical Systems

The recent trend in microwave instruments is the use of multiple millimeter and submillimeter wavelength bands. These systems are typically analyzed by using physical optics, Gaussian beams or ray tracing techniques. Physical optics offers high accuracy at the expense of computation time. This trade-off becomes particularly apparent in the analysis of multiple reflector antennas, such as beam waveguide antennas, where physical optics is used to compute the current on each reflector from the current on the previous reflector. At the other end of the spectrum is ray tracing approaches that ignore diffraction effects entirely. These methods are fast but sacrifice the ability to predict some effects accurately. An intermediate approach is to use an appropriate set of expansion functions to model the field between the reflectors. If the set is chosen wisely only a few coefficients need to be determined from each reflector current. The field is then computed at the next reflector through the use of the expansion functions and their coefficients rather than by using the previous reflector current. For a beam waveguide system with no enclosing tubes an excellent set of expansion functions is the Gaussian beam mode set. In many cases a preliminary design which includes the effects on diffraction may be obtained by considering only the fundamental mode and a thin lens model for the reflectors. Higher-order modes are included to model the effects of the curved reflector, which include asymmetric distortion of the beam, cross polarization, and beam truncation. This paper describes a computer code implementing higher-order Gaussian beam scattering by multiple reflector systems. There are four essential steps in the algorithm. (1) Compute the current on the first reflector using physical optics using either a feed model or by an incident set of Gaussian beam modes. (2) Find the direction of propagation for the reflected Gaussian beam-set using ray tracing. (3) Determine the waist size and location for the output beam set by examining the amplitude and phase distribution of the current on the reflector. (4) Compute the amplitudes of the individual modes in the output mode set. These steps are then repeated for each addition reflector in the chain. In each of these cases the previous Gaussian beam set provides the input field for the current calculation. Details of the four steps discussed above will be discussed. Examples will compare results from the Gaussian beam approach to pure physical optics, illustrating both its merits and limitations. Hybrid approaches capable of eliminating some of the limitations will also be discussed.

Hoppe, D. J.↗

DOE OSTI2021

Diffraction properties of cylindrically bent KAP crystals in energy range of 2.3–7.5 keV using synchrotron radiation

Verification of physics models and computer simulations are heavily reliant upon the accuracy of experimental measurements. Calibration of instrument responses becomes an important step to achieve this goal. This paper presents systematic studies of bent potassium acid phthalate (KAP) crystals using Lawrence Berkeley National Laboratories, Advanced Light Source, beamline 9.3.1 in the energy range of 2.3 to 7.5 keV. A set of KAP crystals, gradually bent from flat up to a 50.8 mm cylindrical curvature. The measured integrated reflectivity for this set of KAP crystals shows good agreement with the X-ray Oriented Program (XOP) calculations when adjusting the Debye–Waller temperature factor and using the multilamellar model in the calculations. Significant differences in rocking curve profiles were observed between experimental measurements and theory. A forward convolution model and software code were developed to include experimental parameters, allowing the investigation of the difference between measurements and calculations. After considering the experimental parameters, good agreements were obtained for the rocking curve profiles for all bending radii with a unique set of parameters. Our results show that XOP can be a useful and reliable tool to predict performance of cylindrically bent KAP crystals in this energy range.

Wu, Ming↗

DOE OSTI2023

X-ray diffraction reveals two structural transitions in szomolnokite

Hydrated sulfates have been identified and studied in a wide variety of environments on Earth, Mars, and the icy satellites of the solar system. The subsurface presence of hydrous sulfur-bearing phases to any extent necessitates a better understanding of their thermodynamic and elastic properties at pressure. End-member experimental and computational data are lacking and are needed to accurately model hydrous, sulfur-bearing planetary interiors. In this work, high-pressure X-ray diffraction (XRD) and synchrotron Fourier-transform infrared (FTIR) measurements were conducted on szomolnokite (FeSO 4 ·H 2 O) up to ~83 and 24 GPa, respectively. This study finds a monoclinic-triclinic (C2/c to P1¯) structural phase transition occurring in szomolnokite between 5.0(1) and 6.6(1) GPa and a previously unknown triclinic-monoclinic (P1¯ to P2 1 ) structural transition occurring between 12.7(3) and 16.8(3) GPa. The high-pressure transition was identified by the appearance of distinct reflections in the XRD patterns that cannot be attributed to a second phase related to the dissociation of the P1¯ phase, and it is further characterized by increased H 2 O bonding within the structure. We fit third-order Birch-Murnaghan equations of state for each of the three phases identified in our data and refit published data to compare the elastic parameters of szomolnokite, kieserite (MgSO 4 ·H 2 O), and blödite (Na 2 Mg(SO 4 ) 2 ·4H 2 O). At ambient pressure, szomolnokite is less compressible than blödite and more than kieserite, but by 7 GPa both szomolnokite and kieserite have approximately the same bulk modulus, while blödite’s remains lower than both phases up to 20 GPa. Furthermore, these results indicate the stability of szomolnokite’s high-pressure monoclinic phase and the retention of water within the structure up to pressures found in planetary deep interiors.

58 GEOSCIENCES↗

DOE OSTI2022

Real-Time Interactive 4D-STEM Phase-Contrast Imaging From Electron Event Representation Data: Less computation with the right representation

The arrival of direct electron detectors (DED) with high frame-rates in the field of scanning transmission electron microscopy has enabled many experimental techniques that require collection of a full diffraction pattern at each scan position, a field which is subsumed under the name four dimensional-scanning transmission electron microscopy (4D-STEM). DED frame rates approaching 100 kHz require data transmission rates and data storage capabilities that exceed commonly available computing infrastructure. Current commercial DEDs allow the user to make compromises in pixel bit depth, detector binning or windowing to reduce the per-frame file size and allow higher frame rates. This change in detector specifications requires decisions to be made before data acquisition that may reduce or lose information that could have been advantageous during data analysis. The 4D Camera, a DED with 87 kHz frame-rate developed at Lawrence Berkeley National Laboratory, reduces the raw data to a linear-index encoded electron event representation (EER). Here we show with experimental data from the 4D Camera that linear-index encoded EER and its direct use in 4D-STEM phase contrast imaging methods enables real-time, interactive phase-contrast from large-area 4D-STEM datasets. Furthermore, we detail the computational complexity advantages of the EER and the necessary computational steps to achieve real-time interactive ptychography and center-of-mass differential phase contrast using commonly available hardware accelerators.

4D-STEM↗

NASA NTRS2008

Shaping Diffraction-Grating Grooves to Optimize Efficiency

A method of shaping diffraction-grating grooves to optimize the spectral efficiency, spectral range, and image quality of a spectral imaging instrument is under development. The method is based on the use of an advanced design algorithm to determine the possibly complex shape of grooves needed to obtain a desired efficiency-versus-wavelength response (see figure). Then electron- beam fabrication techniques are used to realize the required groove shape. The method could be used, for example, to make the spectral efficiency of the grating in a given wavelength range proportional to the inverse of the spectral efficiency of a photodetector array so that the overall spectral efficiency of the combination of the grating and the photodetector array would be flat. The method has thus far been applied to one-dimensional gratings only, but in principle, it is also applicable to two-dimensional gratings. The algorithm involves calculations in the spatial-frequency domain. The spatial-frequency spectrum of a grating is represented as a diffraction-order spectral-peak-width function multiplied by an efficiency function for a single grating groove. This representation affords computational efficiency and accuracy by making it possible to consider only the response from one grating groove (one period of the grating), instead of from the whole grating area, in determining the response from the entire grating. This combination of efficiency and accuracy is crucial for future extensions of the algorithm to two-dimensional designs and to designs in which polarization must also be taken into account. The algorithm begins with the definition of target values of relative efficiency that represent the desired spectral response of the grating in certain spectral frequencies calculated from the diffraction order and wavelength. The grating period is divided into a number of cells - typically, 100. The phase contribution from each cell is determined from the phase of the incident electromagnetic wave and the height of the grating surface in the cell. The total contribution from all cells to each target value is then calculated. Then a method known to specialists as the optimum-rotation-angle method is used to adjust the height of each cell so that the total response from all cells is optimized. The computation is iterative and continues until the desired response is obtained. In the event that the desired response is unphysical, the algorithm nevertheless strives to generate a grating-grove profile for which the response approximates the desired one as closely as possible.

Backlund, John↗

DOE OSTI2020

Computationally Directed Discovery of MoBi 2

Incorporating bismuth, the heaviest element stable to radioactive decay, into new materials enables the creation of emergent properties such as permanent magnetism, superconductivity, and nontrivial topology. Understanding the factors that drive Bi reactivity is critical for the realization of these properties. Using pressure as a tunable synthetic vector, we can access unexplored regions of phase space to foster reactivity between elements that do not react under ambient conditions. Furthermore, combining computational and experimental methods for materials discovery at high-pressures provides broader insight into the thermodynamic landscape than can be achieved through experiment alone, informing our understanding of the dominant chemical factors governing structure formation. Herein, we report our combined computational and experimental exploration of the Mo–Bi system, for which no binary intermetallic structures were previously known. Using the ab initio random structure searching (AIRSS) approach, we identified multiple synthetic targets between 0–50 GPa. Highpressure in situ powder X-ray diffraction experiments performed in diamond anvil cells confirmed that Mo–Bi mixtures exhibit rich chemistry upon the application of pressure, including experimental realization of the computationally predicted CuAl 2 -type MoBi 2 structure at 35.8(5) GPa. Electronic structure and phonon dispersion calculations on MoBi 2 revealed a correlation between valence electron count and bonding in high-pressure transition metal–Bi structures as well as identified two dynamically stable ambient pressure polymorphs. Our study demonstrates the power of the combined computational–experimental approach in capturing highpressure reactivity for efficient materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1979

Plume interference with space shuttle range safety signals

The computational procedure for signal propagation in the presence of an exhaust plume is presented. Comparisons with well-known analytic diffraction solutions indicate that accuracy suffers when mesh spacing is inadequate to resolve the first unobstructed Fresnel zone at the plume edge. Revisions to the procedure to improve its accuracy without requiring very large arrays are discussed. Comparisons to field measurements during a shuttle solid rocket motor (SRM) test firing suggest that the plume is sharper edged than one would expect on the basis of time averaged electron density calculations. The effects, both of revisions to the computational procedure and of allowing for a sharper plume edge, are to raise the signal level near tail aspect. The attenuation levels then predicted are still high enough to be of concern near SRM burnout for northerly launches of the space shuttle.

Boynton, F. P.↗

NASA NTRS2009

Enhanced Video-Oculography System

A previously developed video-oculography system has been enhanced for use in measuring vestibulo-ocular reflexes of a human subject in a centrifuge, motor vehicle, or other setting. The system as previously developed included a lightweight digital video camera mounted on goggles. The left eye was illuminated by an infrared light-emitting diode via a dichroic mirror, and the camera captured images of the left eye in infrared light. To extract eye-movement data, the digitized video images were processed by software running in a laptop computer. Eye movements were calibrated by having the subject view a target pattern, fixed with respect to the subject s head, generated by a goggle-mounted laser with a diffraction grating. The system as enhanced includes a second camera for imaging the scene from the subject s perspective, and two inertial measurement units (IMUs) for measuring linear accelerations and rates of rotation for computing head movements. One IMU is mounted on the goggles, the other on the centrifuge or vehicle frame. All eye-movement and head-motion data are time-stamped. In addition, the subject s point of regard is superimposed on each scene image to enable analysis of patterns of gaze in real time.

Moore, Steven T.↗

DOE OSTI2026

Nanophotonic waveguide chip-to-world beam scanning

A seamless chip-to-world photonic interface enables broad advancements in optical ranging, display, communication, computation and quantum information science. The ideal solution enables two-dimensional scanning of a diffraction-limited beam from anywhere on a photonic integrated circuit to a large number of resolvable spots. Current beam-scanning technologies are limited by a fundamental trade-off: photonic-integrated-circuits with diffractive optics offer scalability but have poor mode quality, whereas inertially limited micromechanical scanners provide high-quality beams but lack scalable integration. Here we report a photonic ski-jump—a nanoscale waveguide monolithically integrated on a piezoelectric cantilever—to overcome these limitations. It passively curls ~90° out-of-plane within a less-than-0.1 mm 2 footprint, emits a submicrometre, broadband diffraction-limited beam, and exhibits kilohertz-rate mechanical resonances with quality factors of over 10,000. Fabricated in a volume complementary metal–oxide–semiconductor (CMOS) foundry, our device enables scalable two-dimensional beam scanning. Driven on-resonance at CMOS-level voltages, it achieves a footprint-adjusted spot rate of 68.6 mega spots s –1 mm–², exceeding state-of-the-art micro-electro-mechanical systems mirrors by more than 50-fold, which is sufficient for one million pixels at 100 Hz from an approximately 1.5 mm diameter footprint. We demonstrate full-colour image and video projection, and single-photon initialization and readout from silicon vacancy centres in diamond. Finally, by demonstrating uniformity across a 64 ski-jump array, we establish a pathway to achieving greater than one gigaspot resolution at kilohertz rates within a sub-5-cm-diameter footprint, creating a seamless optical pipeline between integrated photonic processors and the free-space world.

Displays↗