SEARCH · Engineering Papers
Results for “DIFFRACTION MODELS”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
DONUT: physics-aware machine learning for real-time X-ray nanodiffraction analysis
Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a significant bottleneck, often hindered by artifacts and computational demands. In scanning X-ray nanodiffraction microscopy, which is widely used to spatially resolve structural heterogeneities, this challenge is compounded by the convolution of the divergent beam with the sample’s local structure. To address this, we introduce DONUT (Diffraction with Optics for Nanobeam by Unsupervised Training), a physics-aware neural network designed for the rapid and automated analysis of nanobeam diffraction data. By incorporating a differentiable geometric diffraction model directly into its architecture, DONUT learns to predict crystal lattice strain and orientation in real-time. Crucially, this is achieved without reliance on labeled datasets or pre-training, overcoming a fundamental limitation for supervised machine learning in X-ray science. We demonstrate experimentally that DONUT accurately extracts all features within the data over 200 times more efficiently than conventional fitting methods.
DONUT: Physics-aware Machine Learning for Real-time X-ray Nanodiffraction Analysis
SF-25-088 Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a significant bottleneck, often hindered by artifacts and computational demands. In scanning X-ray nanodiffraction microscopy, which is widely used to spatially resolve structural heterogeneities, this challenge is compounded by the convolution of the divergent beam with the sample’s local structure. To address this, we introduce DONUT (Diffraction with Optics for Nanobeam by Unsupervised Training), a physics-aware neural network designed for the rapid and automated analysis of nanobeam diffraction data. By incorporating a differentiable geometric diffraction model directly into its architecture, DONUT learns to predict crystal lattice strain and orientation in real-time. Crucially, this is achieved without reliance on labeled datasets or pre-training, overcoming a fundamental limitation for supervised machine learning in X-ray science. We demonstrate experimentally that DONUT accurately extracts all features within the data over 200 times more efficiently than conventional fitting methods.
Five stellar occultations by Neptune - Further observations of ring arcs
Diffraction model fits to the light curves obtained during April 18, 1984 and August 20, 1985 stellar occultations that revealed incomplete rings, or 'arcs' around Neptune, are found to indicate arc radial widths of 8-26 km, and normal optical depths of 0.07-0.14. On the basis of the Neptune pole direction ascertained from Voyager navigation analyses, it is confirmed that the arc observed on August 20, 1985, together with the Hubbard et al. (1986) and Covault et al. (1986) arcs, seem to match the radius of the outermost ring found in Voyager images analyzed by Smith et al. (1989).
Amplitude and phase-shaping effects in beamwaveguides
Results are presented of an investigation on improvements in a geometrical optics (GO) design of a beam-waveguide antenna for operation at multiple frequency bands. Improvements might be possible by changing the design of the lower-frequency input pattern to the beam waveguide. The effects of amplitude and phase shaping the input pattern have been studied with an aperture diffraction model. Accurate vector near-field computations were made rapidly with a spherical wave expansion of the input and scattered fields. Numerical results indicate that for aperture sizes of less than 30 wavelengths, there is insufficient control on defocusing due to amplitude and phase shaping. Design tradeoffs on spillover loss and defocusing are possible by changing the amplitude and phase distribution of the input wavefront for larger size apertures.
Diffraction analysis and evaluation of several focus- and track-error detection schemes for magneto-optical disk systems
A commonly used tracking method on pre-grooved magneto-optical (MO) media is the push-pull technique, and the astigmatic method is a popular focus-error detection approach. These two methods are analyzed using DIFFRACT, a general-purpose scalar diffraction modeling program, to observe the effects on the error signals due to focusing lens misalignment, Seidel aberrations, and optical crosstalk (feedthrough) between the focusing and tracking servos. Using the results of the astigmatic/push-pull system as a basis for comparison, a novel focus/track-error detection technique that utilizes a ring toric lens is evaluated as well as the obscuration method (focus error detection only).
Diffraction analysis of frequency selective reflector antennas
In this paper, a unified computational technique is presented which allows the incorporation of the curved frequency-selective surface (FSS) geometry in the computation of the reflector antenna radiation pattern. The scattered fields from an illuminated FSS reflector are formalized using Huygens' principle in such a way that the 'reflecting' and the 'transparent' FSS subreflector cases are treated identically and the thickness of the FSS subreflector remains arbitrary. The analysis utilizes local surface coordinates to describe the reflection/transmission matrices of the FSS subreflector where it is assumed that these matrices are available. In most cases one may use the local tangent plane for approximating the plane of the FSS in the local coordinate surface of the reflector. The paper demonstrates how the local curved coordinate system can be introduced in the diffraction modeling of FSS reflectors and its importance in accurately predicting the side-lobe and crosspolarization levels. Results of numerical simulations are presented for several FSS subreflector configurations.
Nanotechnology Infrared Optics for Astronomy Missions
We have used the "MicroStripes" code (Flomerics, Inc.) to perform full-, near- and far-field diffraction modeling of metal mesh performance on substrates. Our Miles Code software, which approximates the full calculation in a quick, gui-based window, is useful as an iterative device by adjusting the input parameters (index of refraction, thickness, etc.) to provide agreement with the full calculation. However, despite the somewhat extravagant claims by the MicroStripes manufacturer, this code is also not perfect because numerous free parameters must be set. Key among these, as identified in our earlier papers and proposal documents, is the high frequency (i.e., far IR) character of the real and imaginary parts of the index of refraction of the metal mesh, the high frequency character of the real and imaginary parts of the index of refraction of the substrate, and the character of the interface between the mesh and the substrate material, and in particular the suppression (or possible enhancement) of surface effects at the interface.
JWST/MIRI Coronagraphic Performances as Measured on-Sky
Context . Characterization of directly imaged exoplanets is one of the most eagerly anticipated science functions of the James Webb Space Telescope . MIRI, the mid-IR instrument, has the capability to provide unique spatially resolved photometric data points in a spectral range never before achieved for such objects. Aims . We aim to present the very first on-sky contrast measurements of the MIRI coronagraphs. In addition to a classical Lyot coronagraph at the longest wavelength, this observing mode implements the concept of the four-quadrant phase mask for the very first time in a space telescope. Methods . We observed single stars together with a series of reference stars to measure raw contrasts as they are delivered on the detector, as well as reference-subtracted contrasts. Results . The MIRI coronagraphs achieve raw contrasts better than 10 −3 at the smallest angular separations (within 1″) and about 10 −5 farther out (beyond 5 ~ 6″). Subtracting the residual diffracted light left behind the coronagraph has the potential to bring the final contrast down to the background- and detector-limited noise floor at most angular separations (a few times 10 −5 at less than 1″). Conclusions . The MIRI coronagraphs behave as expected from simulations. In particular, the raw contrasts for all four coronagraphs are fully consistent with the diffractive model. Contrasts obtained by subtracting reference stars also meet expectations and are fully demonstrated for two four-quadrant phase masks (F1065C and F1140C). The worst contrast, measured at F1550C, is very likely due to a variation in the phase aberrations at the primary mirror during the observations, and not an issue with the coronagraph itself. We did not perform reference star subtraction with the Lyot mask at F2300C, but we anticipate that it would bring the contrast down to the noise floor.
In-situ synchrotron X-ray diffraction deformation and EPSC modeling of AZ31 Mg alloy
Abstract not provided
Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling
Pulsed neutron diffraction and synchrotron X-ray diffraction measurements were performed on Se{sub 100-x}Te{sub x} bulk glasses with x=10, 20, 30 and 40. The coordination numbers obtained from the diffraction results demonstrate that Se and Te atoms are twofold coordinated and the glass structure is formed by the chain network. The three-dimensional structure model for Se{sub 60}Te{sub 40} glass obtained by using reverse Monte Carlo modelling shows that the alternating arrangements of Se and Te atoms compose the major part of the chain clusters but several other fragments such as Se{sub n} chains and Te-Te dimers are also present in large numbers. The chain clusters have geometrically disordered forms and the interchain atomic order is different from those in the crystal structures of trigonal Se and trigonal Te. - Graphical abstract: Coordination environment in Se{sub 60}Te{sub 40} glass.
Investigating the Difference in Mechanical Stability of Retained Austenite in Bainitic and Martensitic High-Carbon Bearing Steels using in situ Neutron Diffraction and Crystal Plasticity Modeling
In situ neutron diffraction of the uniaxial tension test was used to study the effect of the surrounding matrix microstructure on the mechanical stability of retained austenite in high-carbon bearing steels. Comparing the samples with bainitic microstructures to those with martensitic ones, it was found that the retained austenite in a bainitic matrix starts transforming into martensite at a lower strain compared to that within a martensitic matrix. On the other hand, the rate of transformation of the austenite was found to be higher within a martensitic microstructure. Crystal plasticity modeling was used to analyze the transformation phenomenon in these two microstructures and determine the effect of the surrounding microstructure on elastic, plastic, and transformation components of the strain. The results showed that the predominant difference in the deformation accumulated was from the transformation strain and the critical transformation driving force within the two microstructures. The retained austenite was more stable for identical loading conditions in case of martensitic matrix compared to the bainitic one. It was also observed that the initial volume fraction of retained austenite within the bainitic matrix would alter the onset of transformation to martensite, but not the rate of transformation.
In-situ high-energy X-ray diffraction and crystal plasticity modeling to predict the evolution of te
Explore the source record for details and available documents.
Spatially-resolved lithiation dynamics from operando X-ray diffraction and electrochemical modeling of lithium-ion cells
In this study, energy dispersive X-ray diffraction is used to profile the time evolution of ordered Li x C 6 phases in solid electrodes of lithium-ion cells charged at rates between 0.2 and 4.7C (where 1C corresponds to full discharge in 1 h). The methods for quantifying lithium concentration in these phases from the acquired diffraction patterns are described. Compact expressions for time-dependent concentration gradients in the solid electrodes using orthogonal polynomial expansions are presented. Experimentally, these gradients persisted in lithiated graphite electrodes even after the cells rested at open-circuit for over 9 h. A multiphase electrochemical model of graphite intercalation captured many of the observed behaviors, including the progression of phase transitions and the persistent gradients at zero current. However, the magnitude of concentration gradients in both the oxide cathode and graphite anode is underestimated by the model, even at moderate currents.
Part A: Nonprincipal-plane scattering from flat plates: Second-order and corner diffractions
Two models of a flat plate for nonprincipal-plane scattering are explored. The first is a revised version of the Physical Optics/Physical Theory of Diffraction (PO/PTD) model with second-order PTD equivalent currents included to account for second-order interactions among the plate edges. The second model uses a heurisitcally derived corner diffraction coefficient to account for the corner scattering mechanism. The patterns obtained using the newer models were compared to the data of previously reported models, the Moment Method (MM), and experimental results. Near normal incidence, all the models agreed; however, near grazing incidence a need for higher-order and corner diffraction mechanisms was noted. In many instances the second-order and corner-scattered fields which were formulated improved the results.
X-ray diffraction studies of model compounds of thermoplastic polyimides
Several model compounds which represent aspects of the chemical structure of the Langley Research Center thermoplastic (LARC-TPI) have been synthesized for comparison studies using wide angle X-ray scattering (WAXS) as the discriminatory tool. The model compounds included N-phenylphthalimide, 3,3',4,4'-benzophenonetetracarboxylic diphthalimide, and N,N'-diphenyl-3,3',4,4'-benzophenonetetracarboxylic diphthalimide. X-ray diffraction studies of appropriate model compounds can yield information to aid in the understanding of polymeric crystallographic structure. Crystallinity and physical property changes can thus be induced into materials having complicated structures by chemical and thermal processes.
Residual elastic strain evolution due to thermal cycling of a ceramic-metal composite (WC-Cu) via high energy X-ray diffraction and analytical modeling
Residual stress, when superimposed with in-service loading, can significantly reduce the lifetime and performance of a component. Ceramic-metal composites are susceptible to residual stresses due to the thermal expansion mismatch of the ceramic and metallic phases. The WC-Cu composite explored in the present study provides a promising combination of thermal conductivity and strength properties, while exhibiting counterintuitive improvements in strength and ductility after thermal cycling. Further, this work quantifies the evolution of the residual elastic strains as a result of processing and cyclic thermal loading in a co-continuous WC-Cu composite through experimental high energy X-ray diffraction and kinetics-based modeling. Both analyses indicate that processing-induced residual tensile stress in the copper phase is relieved upon subsequent thermal cycling, with kinetics modeling revealing the cyclic-dependent nature of the active power-law creep mechanisms. The results indicate that, through stress relaxation, this material system maintains structural stability during thermal cycling. The illustrated kinetics of relaxation can inform general material processors and designers of ceramic-metal composites to minimize detrimental residual stress and improve performance of these material systems.
Interpretation and modeling of quasiperiodic diffraction patterns observed in equatorial VHF scintillation due to plasma bubbles
Quasiperiodic diffraction patterns have been observed in VHF scintillation recorded at Ascension Island in 1981. The patterns occur most often at the beginning or end of a scintillation patch and are shown to be consistent with those expected from irregularities having east-west scale sizes of a few hundred meters that are associated with the walls (edges) of equatorial plasma bubbles. By adjusting the geophysical parameters in a computer simulation of the amplitude fluctuations expected simultaneously at VHF, L-Band and C-Band, we model a specific event in detail. The model contains information on the size and strength of the structures that cause the regular fading patterns. In addition, multi-frequency diffraction patterns are computed for a 'phase screen' model based on high resolution measurements of a structured plasma bubble wall made using the AE-E satellite. The results are qualitatively very similar to the observations. Finally, implications of the model results for the extraction of information about the vertical structure of the irregularities are discussed.