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At least 1,459 records · Page 81

Bridging microscopy with molecular dynamics and quantum simulations: an atomAI based pipeline

Recent advances in (scanning) transmission electron microscopy have enabled a routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for atomistic simulations. In this fashion, the theory will address experimentally emerging structures, as opposed to the full range of theoretically possible atomic configurations. However, this challenge is highly nontrivial due to the extreme disparity between intrinsic timescales accessible to modern simulations and microscopy, as well as latencies of microscopy and simulations per se. Addressing this issue requires as a first step bridging the instrumental data flow and physics-based simulation environment, to enable the selection of regions of interest and exploring them using physical simulations. Here we report the development of the machine learning workflow that directly bridges the instrument data stream into Python-based molecular dynamics and density functional theory environments using pre-trained neural networks to convert imaging data to physical descriptors. Additionally, the pathways to ensure structural stability and compensate for the observational biases universally present in the data are identified in the workflow. This approach is used for a graphene system to reconstruct optimized geometry and simulate temperature-dependent dynamics including adsorption of Cr as an ad-atom and graphene healing effects. However, it is universal and can be used for other material systems.

36 MATERIALS SCIENCE↗

Experiment S029: Earth-Moon libration regions photography

Eleven photographs were taken of the L sub 4 earth-moon libration region during the Gemini 12 mission. The objective was to investigate the possible existence of clouds or particles of dust orbiting the earth in the L sub 4 region by the use of photographic techniques. No identifiable data were found in the first sequence of five photographs. Star field images could be recognized in two photographs of the second sequence of pictures. A light flare, of unknown source but possibly caused by light refraction from the window of the spacecraft, was recorded in both pictures. A reconstructed star field region (as photographed) is shown Isodensitraces of the two recognizable star fields were made; however, no conclusive results were obtained.

Morris, E. C.↗

Coded aperture imaging with uniformly redundant arrays

The paper discusses uniformly redundant arrays (URA) as applied to coded aperture imaging. The URA system offers the high-transmission characteristics of random arrays as well as a flat sidelobe advantage. The high-transmission yields the imaging of very low-intensity sources and the flat sidelobes provide the suppression of inherent noise which obscures low-contrast sources. Simulations have shown that the URA with shot and background noise produces a better reconstructed object than random arrays without shot or background noise. The URA also offers an arrangement which involves a mosaic of basic URA patterns forming a circular correlation of the object on the picture plane. Thus the information needed to reconstruct the object is contained in an area equal to that of the basic aperture pattern. This smaller required detector is important in applications including X-ray astronomy.

Fenimore, E. E.↗

IFSAR Simulation Using the Shooting and Bouncing Ray Technique

Interferometric Synthetic Aperture Radar (IFSAR) is a technique that allows an automated way to carry out terrain mapping. IFSAR is carried out by first generating a SAR image pair from two antennas that are spatially separated. The phase difference between the SAR image pair is proportional to the topography. After registering the SAR images, the difference in phase in each pixel is extracted to generate an interferogram. Since the phase can only be measured within 2pi radians, phase unwrapping is carried out to extract the absolute phase for each pixel that will be proportional to the local height. While IFSAR algorithm is typically applied to measurement data, it is useful to develop an IFSAR simulator to develop a better understanding of the IFSAR technique. The IFSAR simulator can be used in choosing system parameters, experimenting with processing procedures and mission planning. In this paper we will present an IFSAR simulation methodology to simulate the interferogram based on the shooting and bouncing ray (SBR) technique. SBR is a standard ray-tracing technique used to simulate scattering from large, complex targets. SBR is carried out by shooting rays at the target or scene. At the exit point of each ray, a ray-tube integration is done to find its contribution to the total field. A fast algorithm has been developed for the SBR for simulating SAR images of complex targets. In the IFSAR simulation, we build upon the fast SAR simulation technique. Given the antenna pair configuration, radar system parameters and the geometrical description of the scene, we first simulate two SAR images from each antenna. After post processing the two SAR images, we generate an interferogram. Phase unwrapping is then performed on the interferogram to arrive at the desired terrain map. We will present results from the SBR-based IFSAR simulator. The results will include terrain map reconstruction of urban environments. The reconstruction will be compared to the ground truth to examine the fidelity of the simulation. We will also investigate the effect of multi-bounce scattering in urban environments on phase unwrapping and reconstruction.

Houshmand, Bijan↗

Three-dimensional visual guidance improves the accuracy of calculating right ventricular volume with two-dimensional echocardiography

Three-dimensional guidance programs have been shown to increase the reproducibility of 2-dimensional (2D) left ventricular volume calculations, but these systems have not been tested in 2D measurements of the right ventricle. Using magnetic fields to identify the probe location, we developed a new 3-dimensional guidance system that displays the line of intersection, the plane of intersection, and the numeric angle of intersection between the current image plane and previously saved scout views. When used by both an experienced and an inexperienced sonographer, this guidance system increases the accuracy of the 2D right ventricular volume measurements using a monoplane pyramidal model. Furthermore, a reconstruction of the right ventricle, with a computed volume similar to the calculated 2D volume, can be displayed quickly by tracing a few anatomic structures on 2D scans.

Non-NASA Center↗

Modeling of Biological Fluid Systems

This study presents a detailed methodology for modeling and validating three- dimensional fluid flow in realistic reconstructed vasculature geometry. Optical scanned data from a sectioned stenotic lumen having -65% area constriction within an arterial vessel of 9 mm diameter is processed and converted into a finite-element mesh. Mass and momentum transfer equations within the reconstructed stenotic vessel with a-flow rate of 200 ml/rnin is solved using the Galarkin Finite Element formulation. The calculated velocities at several axial locations along the length of the vessel are compared with the Particle Image Velocimetry (PIV) measurements. The computation results are in agreement with the initial steady state PIV measurements. In addition, initial results from pulsatile flow computations at different time points of a pulse cycle will be presented.

Banerjee, Rupak↗

Stereoscopic Analysis of 19 May and 31 Aug 2007 Filament Eruptions

The presentation outline includes results from stereoscopic analysis of SECCHI/EUVI data for 19 May 2007 filament eruption, including the determined 3D trajectory of erupting filament, strong evidence for reconnection below erupting filament as consistent with standard model, and comparison of EUVI and H-alpha images during eruption; and results from stereoscopic analytic of 21 August 2007 filament eruption. Slide topics include standard model of filament eruption; 2007 May 19 STEREO A/SECCHI/EUVI 195 and 304 A: CME signatures and filament eruption, 3D reconstruction of erupting prominence; filament's relation to coronal magnetic fields; 3d reconstructions of filament eruption; height-time plot of eruption from 3D reconstructions; detailed pre-eruptions comparison of H-alpha and EUVI 304 at 12:42 UT; comparisons during the eruption; STEREO prominence and CME August 31, 2007; reconstructions of prominence and leading edges of both dark cavity and CME; and 3D reconstructions of prominence and leading edges.

stereoscopy↗

Toward Physics-informed Neural Networks for 3D Multi-layer Cloud Mask Reconstruction

Three-dimensional (3D) cloud retrievals are critical for understanding their impact on climate and other applications such as aviation safety, weather prediction, and remote sensing. However, obtaining high-resolution and accurate vertical representation of clouds remains unsolved due to the limitations imposed by satellite instrumentation, viewing conditions, and the complexity of cloud dynamics. Cloud masks are essential for comprehending various cloud vertical properties, but deriving accurate 3D cloud masks from 2D satellite imagery data is a challenging task. To tackle these challenges, we introduce a physics-informed loss function for training deep learning models that can extend 2D cloud images into 3D cloud masks. The proposed loss, called CloudMask Loss, is composed of two domain knowledge-informed loss terms: one for evaluating cloud position and thickness, and the other for measuring the number of layers. By combining these loss terms, we improve the trainability of the deep learning models for more accurate and meaningful results. We apply the proposed loss function to different neural networks and demonstrate significant improvements in multi-layer cloud mask reconstruction. Utilizing the same neural network architecture, our proposed loss outperforms standard binary crossentropy loss in terms of multi-layer cloud classification accuracy, number of layers accuracy, and thickness mean absolute error (MAE). The proposed loss function can be readily integrated into various neural network architectures, resulting in substantial performance gains in 3D cloud mask generation.

multi-layer clouds↗

Learning robust parameter inference and density reconstruction in flyer plate impact experiments

Estimating physical parameters or material properties from experimental observations is a common objective in many areas of physics and material science. In many experiments, especially in shock physics, radiography is the primary means of observing the system of interest. However, radiography does not provide direct access to key state variables, such as density, which prevents the application of traditional parameter estimation approaches. Here we focus on flyer plate impact experiments on porous materials, and resolving the underlying parameterized equation of state (EoS) and crush porosity model parameters given radiographic observation(s). We use machine learning as a tool to demonstrate with high confidence that using only high impact velocity data does not provide sufficient information to accurately infer both EoS and crush model parameters, even with fully resolved density fields or a dynamic sequence of images. We thus propose an observable data set consisting of low and high impact velocity experiments/simulations that capture different regimes of compaction and shock propagation, and proceed to introduce a generative machine learning approach which produces a posterior distribution of physical parameters directly from radiographs. We demonstrate the effectiveness of the approach in estimating parameters from simulated flyer plate impact experiments, and show that the obtained estimates of EoS and crush model parameters can then be used in hydrodynamic simulations to obtain accurate and physically admissible density reconstructions. Finally, we examine the robustness of the approach to model mismatches, and find that the learned approach can provide useful parameter estimates in the presence of out-of-distribution radiographic noise and previously unseen physics, thereby promoting a potential breakthrough in estimating material properties from experimental radiographic images.

97 MATHEMATICS AND COMPUTING↗

4D-STEM of Beam-Sensitive Materials

We report that a scanning electron nanobeam diffraction, or 4D-STEM (four-dimensional scanning transmission electron microscopy), is a flexible and powerful approach to elucidate structure from "soft" materials that are challenging to image in the transmission electron microscope because their structure is easily damaged by the electron beam. In a 4D-STEM experiment, a converged electron beam is scanned across the sample, and a pixelated camera records a diffraction pattern at each scan position. This four-dimensional data set can be mined for various analyses, producing maps of local crystal orientation, structural distortions, crystallinity, or different structural classes. Holding the sample at cryogenic temperatures minimizes diffusion of radicals and the resulting damage and disorder caused by the electron beam. The total fluence of incident electrons can easily be controlled during 4D-STEM experiments by careful use of the beam blanker, steering of the localized electron dose, and by minimizing the fluence in the convergent beam thus minimizing beam damage. This technique can be applied to both organic and inorganic materials that are known to be beam-sensitive; they can be highly crystalline, semicrystalline, mixed phase, or amorphous. One common example is the case for many organic materials that have a π-π stacking of polymer chains or rings on the order of 3.4-4.2 Å separation. If these chains or rings are aligned in some regions, they will produce distinct diffraction spots (as would other crystalline spacings in this range), though they may be weak or diffuse for disordered or weakly scattering materials. We can reconstruct the orientation of the π-π stacking, the degree of π-π stacking in the sample, and the domain size of the aligned regions. This Account summarizes illumination conditions and experimental parameters for 4D-STEM experiments with the goal of producing images of structural features for materials that are beam-sensitive. We will discuss experimental parameters including sample cooling, probe size and shape, fluence, and cameras. 4D-STEM has been applied to a variety of materials, not only as an advanced technique for model systems, but as a technique for the beginning microscopist to answer materials science questions. It is noteworthy that the experimental data acquisition does not require an aberration-corrected TEM but can be produced on a variety of instruments with the right attention to experimental parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stochastic 3D reconstruction of cracked polycrystalline NMC particles using 2D SEM data

Li-ion battery performance is strongly influenced by the 3D microstructure of its cathode particles. Cracks within these particles develop during calendaring and cycling, reducing connectivity but increasing reactive surface, making their impact on battery performance complex. Understanding these contradictory effects requires a quantitative link between particle morphology and battery performance. However, informative 3D imaging techniques are time-consuming, costly and rarely available, such that analyses often have to rely on 2D image data. This paper presents a novel stereological approach for generating virtual 3D cathode particles exhibiting crack networks that are statistically equivalent to those observed in 2D sections of experimentally measured particles. Consequently, 2D image data suffices for deriving a full 3D characterization of cracked cathodes particles. Such virtually generated 3D particles could serve as geometry input for spatially resolved electro-chemo-mechanical simulations to enhance our understanding of structure-property relationships of cathodes in Li-ion batteries.

36 MATERIALS SCIENCE↗

Coalescence of GaP on V-Groove Si

In recent years, better understanding and control over the formation of crystalline defects during the direct epitaxy of III-V semiconductors on Si substrates via metal organic vapor phase epitaxy (MOVPE) has enabled large gains in III-V-on-Si solar cell efficiency, pointing to pathway to lower-cost, high-performance III-V solar cells. However, such results have only been achieved on costly chemo-mechanically-polished (CMP) Si wafers. The use of V-groove nanopatterned Si substrates has demonstrated similarly high-crystalline-quality III-V-on-Si epitaxy, but also can be combined with lower-cost polishing techniques. Although they offer a potential cost advantage, growth on V-groove substrates adds challenges not present for epitaxy on planar wafers (the III-V material must be coalesced into a thin film after an initial nucleation stage). MOVPE growth conditions that promote highly facet-selective lateral growth needed for coalescence are generally actively avoided for conventional thin fim growth, so growth conditions need to be re-developed for V-groove-based epitaxy. Additionally, coalescence add complexity to the dislocation dynamics related to lattice relaxation, so strategies used to keep threading dislocation density (TDD) low on planar substrates need to be re-tuned for V-grooves. We have studied the morphological evolution and dislocation dynamics of GaP grown on V-groove Si by MOVPE. Growth conditions of V/III=5,000 and Tg=800 degrees C were uniquely found to produce extremely smooth coalesced thin films, with an RMS roughness of 0.2 nm measured by AFM. Additionally, at this growth condition, we identified two regimes of growth determined by the width of the SiNx cap (a remnant of the nanopatterning process) at the top of the V-grooves. For narrow caps, the GaP coalesces into a thin film, and for wide caps, the GaP evolves into {1 1 1}-faceted diamonds that do not coalesce. We suggest the influence of Si from the sidewalls of the V-grooves on the surface reconstruction of the GaP as the mechanism for this effect, with reflection difference spectroscopy (RDS) and Si doping experiments supporting this theory. In addition to morphology, the dislocation dynamics of the system were studied with electron channeling contrast imaging (ECCI) and transmission electron microscopy (TEM). The TDD of the coalesced GaP films was found to be 5 x 10^7 cm^-2 after coalescence via ECCI, a level still too high for high-quality solar cells. However, misfit dislocations crossing multiple grooves greater than 20 micrometers long were observed in ECCI, suggesting that the V-grooves do not block dislocation glide. TEM prior to and after coalescence was used to distinguish between dislocation creation driven by growth conditions and coalescence. Finally, strategies to reduce the dislocation density to levels acceptable for solar cells will be discussed.

GaP↗

Heliophysics from and of the Moon - the Solar Occultation Explorer (SOX)

The fundamental processes of the inner corona of the Sun at 1.1 to 3 solar radii can occasionally be investigated in detail by ground-based solar eclipse observations at quasi-yearly intervals. The combination of portable ground-based telescopes and the distant occulting edge provided by the lunar limb allows imaging of coronal structure and ion excitation emission lines at the highest available spatial and spectral resolution. These observations are limited to the visible eastern and western coronal regions and cannot view the intervening region over the central disk in the hemisphere towards Earth. A comparable configuration for continuous coronal observations from a spacecraft, e.g. with an external occulter disk on a 100-meter boom, is conceivable and could generate 3-D data models of the corona via tomographic reconstruction from time series measurements but may not now be technically or economically feasible. The faster and cheaper approach would be to make high cadence eclipse observations from one or more small satellites in lunar orbit. The Solar Occultation Explorer (SOX) is suggested as an explorer-class NASA mission that would conduct eclipse observations at daily to hourly cadence depending on the orbit. This smallsat would carry two principal instrument suites: (1 ) spectroscopic imaging telescope with sub-nm resolution for selected coronal emission lines diagnostic of coronal plasma charge state, denSity, and temperature, and (2) in-situ field & particle instrument suite for measurements of the solar wind and local lunar environments. The most comparable flight heritage instrument, the LASCO C1 spectrometer on the Solar and Heliospheric Observatory (SOHO) mission, did achieve high visible-band spectral resolution with a Fabry-Perot interferometer but was limited in brightness sensitivity by usage of an internal occulter system and has not been operational since June 1998 The SOX mission concept is undergoing initial study by the Lunar Solar Origins Exploration (LunaSOX) project of the NASA Lunar Advanced Science and Exploration Research (LASER) program. This mission would offer high complementarity with the planned Solar Probe Plus spacecraft, designed to investigate.

Cooper, John F.↗

Tightly-coupled camera/LiDAR integration for point cloud generation from GNSS/INS-assisted UAV mapping systems

Unmanned aerial vehicles (UAVs) equipped with integrated global navigation satellite systems/inertial navigation systems (GNSS/INS) together with cameras and/or LiDAR sensors are being widely used for topographic mapping in a variety of applications such as precision agriculture, coastal monitoring, and archaeological documentation. Integration of image-based and LiDAR point clouds can provide a comprehensive 3D model of the area of interest. For such integration, ensuring a good alignment between data from the different sources is critical. Although many works have been conducted on this topic, there is still a need for a rigorous integration approach that minimizes the discrepancy between camera and LiDAR data caused by inaccurate system calibration parameters and/or trajectory artifacts. This study proposes an automated tightly-coupled camera/LiDAR integration workflow for GNSS/INS-assisted UAV systems. The proposed strategy is conducted in three main steps. First, an image-based point cloud is generated using a LiDAR/GNSS/INS-assisted structure from motion (SfM) strategy. Then, feature correspondences between image-based and LiDAR point clouds are automatically identified. Finally, an integrated-bundle adjustment procedure including image points, LiDAR raw measurements, and GNSS/INS information is conducted to minimize the discrepancy between point clouds from different sensors while estimating system calibration parameters and refining the trajectory information. The proposed SfM strategy and integration framework are evaluated using five datasets. The SfM results show that using LiDAR data can facilitate feature matching and further increase the number of reconstructed 3D points. The experimental results also illustrate that the developed automated camera/LiDAR integration strategy is capable of accurately estimating system calibration parameters to achieve good alignment among camera/LiDAR data from single/multiple systems. Finally, an absolute accuracy in the range of 3–5 cm is achieved for the image/LiDAR point clouds after the integration process.

42 ENGINEERING↗

Three-dimensional reconstruction of inertial confinement fusion hot-spot plasma from x-ray and nuclear diagnostics on OMEGA

Multidimensional effects degrade the neutron yield and the compressed areal density of laser-direct-drive inertial confinement fusion implosions of layered deuterium–tritium cryogenic targets on the OMEGA Laser System with respect to 1D radiation-hydrodynamic simulation predictions. A comprehensive physics-informed 3D reconstruction effort is under way to infer hot-spot and shell conditions at stagnation from four x-ray and seven neutron detectors distributed around the OMEGA target chamber. Neutron diagnostics, providing measurements of the neutron yield, hot-spot flow velocity, and apparent ion-temperature distribution, are used to infer the mode-1 perturbation at stagnation. The x-ray imagers record the shape of the hot-spot plasma to diagnose mode-1 and mode-2 perturbations. A deep-learning convolutional neural network trained on an extensive set of 3D radiation-hydrodynamic simulations is used to interpret the x-ray and nuclear measurements to infer the 3D profiles of the hot-spot plasma conditions and the amount of laser energy coupled to the hot-spot plasma. A 3D simulation database shows that larger mode-1 asymmetries are correlated with higher hot-spot flow velocities and reduced laser-energy coupling and neutron yield. Three-dimensional hot-spot reconstructions from x-ray measurements indicate that higher amounts of residual kinetic energy are correlated with higher measured hot-spot flow velocities, consistent with 3D simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA Tech Briefs, October 2007

Topics covered include; Wirelessly Interrogated Position or Displacement Sensors; Ka-Band Radar Terminal Descent Sensor; Metal/Metal Oxide Differential Electrode pH Sensors; Improved Sensing Coils for SQUIDs; Inductive Linear-Position Sensor/Limit-Sensor Units; Hilbert-Curve Fractal Antenna With Radiation- Pattern Diversity; Single-Camera Panoramic-Imaging Systems; Interface Electronic Circuitry for an Electronic Tongue; Inexpensive Clock for Displaying Planetary or Sidereal Time; Efficient Switching Arrangement for (N + 1)/N Redundancy; Lightweight Reflectarray Antenna for 7.115 and 32 GHz; Opto-Electronic Oscillator Using Suppressed Phase Modulation; Alternative Controller for a Fiber-Optic Switch; Strong, Lightweight, Porous Materials; Nanowicks; Lightweight Thermal Protection System for Atmospheric Entry; Rapid and Quiet Drill; Hydrogen Peroxide Concentrator; MMIC Amplifiers for 90 to 130 GHz; Robot Would Climb Steep Terrain; Measuring Dynamic Transfer Functions of Cavitating Pumps; Advanced Resistive Exercise Device; Rapid Engineering of Three-Dimensional, Multicellular Tissues With Polymeric Scaffolds; Resonant Tunneling Spin Pump; Enhancing Spin Filters by Use of Bulk Inversion Asymmetry; Optical Magnetometer Incorporating Photonic Crystals; WGM-Resonator/Tapered-Waveguide White-Light Sensor Optics; Raman-Suppressing Coupling for Optical Parametric Oscillator; CO2-Reduction Primary Cell for Use on Venus; Cold Atom Source Containing Multiple Magneto- Optical Traps; POD Model Reconstruction for Gray-Box Fault Detection; System for Estimating Horizontal Velocity During Descent; Software Framework for Peer Data-Management Services; Autogen Version 2.0; Tracking-Data-Conversion Tool; NASA Enterprise Visual Analysis; Advanced Reference Counting Pointers for Better Performance; C Namelist Facility; and Efficient Mosaicking of Spitzer Space Telescope Images.

Source record↗

Unsupervised anomaly detection in MeV ultrafast electron diffraction

MeV ultrafast electron diffraction (MUED) is a pump-probe technique used to study the dynamic structural evolution of materials. An ultrashort laser pulse triggers structural changes, which are then probed by an ultrashort relativistic electron beam. To overcome low signal-to-noise ratios, diffraction patterns are averaged over thousands of shots. However, shot-to-shot instabilities in the electron beam can distort individual patterns, introducing uncertainty. Improving MUED accuracy requires detecting and removing these anomalous patterns from large datasets. In this work, we developed a fully unsupervised methodology for the detection of anomalous diffraction patterns. Using a convolutional autoencoder, we calculate the reconstruction mean squared error of the diffraction patterns. Based on the statistical analysis of this error, we provide the user an estimation of the probability that the pattern is normal, which also allows a posterior visual inspection of the images that are difficult to classify. This method has been trained with only 100 diffraction patterns and tested on 1521 patterns, resulting in a false positive rate between 0.2% and 0.4%, with a training time of 10 s per image and a test time of about 1 s per image. Here, the proposed methodology can also be applied to other diffraction techniques in which large datasets are collected that include faulty images due to instrumental instabilities.

43 PARTICLE ACCELERATORS↗

Simulation-guided analysis of resonant soft X-ray scattering for determining the microstructure of triblock copolymers

Resonant soft X-ray scattering (RSoXS) probes structure with chemical sensitivity that is useful for determining the morphology of multiblock copolymers. However, the hyperspectral scattering data produced by this technique can be challenging to interpret. Here, in this study, we use computational scattering simulations to extract the microstructure of a model triblock copolymer from the energy-dependent scattering from RSoXS. An ABC triblock terpolymer formed from poly(4-methylcaprolactone) (P4MCL), poly(2,2,2-trifluoroethylacrylate) (PTFEA), and poly (dodecylacrylate) (PDDA), P4MCL-block-PTFEA-block-PDDA, was synthesized as the model triblock system. Through quantitative evaluation of simulated scattering data from a physics-informed set of candidate structure models against experimental RSoXS data, we find the best agreement with hexagonally packed core–shell cylinders. This result is also consistent with electron-density reconstruction from hard X-ray scattering data evaluated against electron-density maps generated with the same model set. These results demonstrate the utility of simulation-guided scattering analysis to study complex microstructures that are challenging to image by microscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗