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DOE OSTI2024

Simulation Study of High-Precision Characterization of MeV Electron Interactions for Advanced Nano-Imaging of Thick Biological Samples and Microchips

The resolution of a mega-electron-volt scanning transmission electron microscope (MeV-STEM) is primarily governed by the properties of the incident electron beam and angular broadening effects that occur within thick biological samples and microchips. A precise understanding and mitigation of these constraints require detailed knowledge of beam emittance, aberrations in the STEM column optics, and energy-dependent elastic and inelastic critical angles of the materials being examined. This simulation study proposes a standardized experimental framework for comprehensively assessing beam intensity, divergence, and size at the sample exit. This framework aims to characterize electron-sample interactions, reconcile discrepancies among analytical models, and validate Monte Carlo (MC) simulations for enhanced predictive accuracy. Our numerical findings demonstrate that precise measurements of these parameters, especially angular broadening, are not only feasible but also essential for optimizing imaging resolution in thick biological samples and microchips. By utilizing an electron source with minimal emittance and tailored beam characteristics, along with amorphous ice and silicon samples as biological proxies and microchip materials, this research seeks to optimize electron beam energy by focusing on parameters to improve the resolution in MeV-STEM/TEM. This optimization is particularly crucial for in situ imaging of thick biological samples and for examining microchip defects with nanometer resolutions. Our ultimate goal is to develop a comprehensive mapping of the minimum electron energy required to achieve a nanoscale resolution, taking into account variations in sample thickness, composition, and imaging mode.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Imaging solar flares in hard X-rays using Fourier telescopes

The sun emits hard X-rays (above 10 keV) during solar flares. Imaging hard X-ray sources on the sun with spatial resolutions on the order of 1-5 arcsec and integration times of 1 sec will provide greater insight into the energy release processes during a solar flare. In these events, tremendous amounts of energy stored in the solar magnetic field are rapidly released leading to emission across the electromagnetic spectrum. Two Fourier telescope designs, a spatial modulation collimator and a rotating modulation collimator, were developed to image the full sun in hard X-rays (10-100 keV) in an end-to-end simulation. Emission profiles were derived for two hard X-ray solar flare models taken from the current solar theoretical literature and used as brightness distributions for the telescope simulations. Both our telescope models, tailored to image solar sources, were found to perform equally well, thus offering the designer significant flexibility in developing systems for space-based platforms. Given sufficient sensitive areas, Fourier telescopes are promising concepts for imaging solar hard X-rays.

Campbell, Jonathan W.↗

DOE OSTI2025

Design of novel refractory equiatomic multi-principal elemental alloys based on Mo-Nb-Ti system for Gen IV reactor applications

Excellent irradiation damage resistance demonstrated by multi-principal elemental alloys (MPEAs) has sparked significant interest among researchers, prompting exploration into their vast compositional space, to validate their suitability for nuclear applications. A combined approach of thermodynamic and empirical parameters calculations alongside CALPHAD (CALculation of PHAse Diagrams) for phase formation predictions enable high-throughput material selection for sophisticated applications like nuclear, overcoming laborious and time-consuming experiments. Key thermodynamic and empirical parameters for eight novel equiatomic MPEAs, based on seven low thermal neutron cross section refractory elements, for predicting phase formation were calculated, and equilibrium and non-equilibrium simulations in CALPHAD were employed to comprehensively model the systems. Pseudo binary phase diagram simulations showed that Zr, V or equiatomic CrV additions to the base MoNbTi alloy (MoNbTi-Zr, MoNbTi-V and MoNbTi-CrV alloys) favor the formation of isomorphous body-centered cubic (BCC) phase at high temperatures, while Cr, Al, equiatomic ZrV, or equiatomic CrAl additions (MoNbTi-Cr, MoNbTi-Al, MoNbTi-ZrV or MoNbTi-CrAl alloys) limit the solubility of them. Equilibrium CALPHAD simulations at 750 oC were consistent with XRD results on MoNbTi, MoNbTiZr and MoNbTiCr alloys, and partially for others. Notably, elemental segregation observed in the backscattered electron (BSE) scanning electron microscopy (SEM) images of the alloys was accurately simulated through non-equilibrium Scheil solidification calculations in CALPHAD, further verified by experiments. The precipitation of TiCr2 Laves phase in Cr containing MoNbTiCr and MoNbTiCrAl was accurately predicted while discrepancies were noted in MoNbTiCrV. The equilibrium simulations also provided insights into phase compositions at specific temperatures offering a pathway for tailoring the desired microstructure and properties of these systems. Empirical parameters calculations successfully predicted random solid solution in the base MoNbTi alloy, and with an exception in MoNbTiV and MoNbTiAl, predicted intermetallic precipitation in the rest, especially, Laves phase precipitation in Cr containing alloys.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Enhanced Monte Carlo Simulations for Electron Energy Loss Mitigation in Real-Space Nanoimaging of Thick Biological Samples and Microchips

High-resolution imaging using Transmission Electron Microscopy (TEM) is essential for applications such as grain boundary analysis, microchip defect characterization, and biological imaging. However, TEM images are often compromised by electron energy spread and other factors. In TEM mode, where the objective and projector lenses are positioned downstream of the sample, electron–sample interactions cause energy loss, which adversely impacts image quality and resolution. This study introduces a simulation tool to estimate the electron energy loss spectrum (EELS) as a function of sample thickness, covering electron beam energies from 300 keV to 3 MeV. Leveraging recent advances in MeV-TEM/STEM technology, which includes a state-of-the-art electron source with 2-picometer emittance, an energy spread of 3 × 10 -5 , and optimized beam characteristics, we aim to minimize energy spread. By integrating EELS capabilities into the BNL Monte Carlo (MC) simulation code for thicker samples, we evaluate electron beam parameters to mitigate energy spread resulting from electron–sample interactions. Based on our simulations, we propose an experimental procedure for quantitively distinguishing between elastic and inelastic scattering. The findings will guide the selection of optimal beam settings, thereby enhancing resolution for nanoimaging of thick biological samples and microchips.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Analytical investigation of the dynamics of tethered constellations in Earth orbit (phase 2)

Simulation of two short distance crawling maneuvers of the elevator both with and without environmental perturbations acting upon the system is discussed. These simulation runs were performed in order to provide results useful for the interpretation of the data from the tests, on the ground, of a scaled down engineering model of the elevator. In these simulation runs the elevator crawls along the tether in accordance to the developed mirror image motion control law (MIMCL). Results from the simulation of the 4 km long maneuver run were compared to those obtained by adopting the modified hyperbolic tangent control law (MHTCL). A preprocessor was developed for setting up the initial conditions of a tethered system with L platforms, M longitudinal dampers, and N lumped masses (platforms plus tether beads). A short test run of the 4-platform system with 3 longitudinal dampers and 10 lumper mass without any perturbation acting upon the system is illustrated. In support of the Tether Applications Working Group, SAO is preparing a catalog of tether simulations, has prepared a set of simulator test cases, obtained results from SKYHOOK, and solicited results from simulators at other institutions, and prepared a paper on a specific analytic solution.

Lorenzini, Enrico C.↗

NASA NTRS1993

Impact disturbance of the Venus atmosphere

Experimental simulations of the atmosphere-surface interaction during high-velocity impact are presented. At Venus an atmospheric vortex, generated with impact, may interact with a local wind. Some surface features, observed on Magellan images may be related with the simulated effect.

Provalov, A. A.↗

NASA NTRS2006

Characterization of Single-Sided Charge-Sharing CZT Strip Detectors for Gamma-Ray Astronomy

We report progress in the study of thick single-sided charge-sharing cadmium zinc telluride (CZT) strip detector modules designed to perform spectroscopy and 3-D imaging of gamma-rays. We report laboratory measurements including spectroscopy, efficiency and 3-D imaging capability of prototype detectors (15 15 7.5 cu mm) with 11x11 unit cells. We also report on Monte Carlo simulations (GEANT4 v7.1) to investigate the effect of multihits on detector performance in both spectroscopy and imaging. We compare simulation results with data obtained from laboratory measurements and discuss the implications for future strip detector designs. Keywords: CZT, strip detectors, gamma-ray

Donmez, Burcin↗

NASA NTRS2013

HCIT Contrast Performance Sensitivity Studies: Simulation Versus Experiment

Using NASA's High Contrast Imaging Testbed (HCIT) at the Jet Propulsion Laboratory, we have experimentally investigated the sensitivity of dark hole contrast in a Lyot coronagraph for the following factors: 1) Lateral and longitudinal translation of an occulting mask; 2) An opaque spot on the occulting mask; 3) Sizes of the controlled dark hole area. Also, we compared the measured results with simulations obtained using both MACOS (Modeling and Analysis for Controlled Optical Systems) and PROPER optical analysis programs with full three-dimensional near-field diffraction analysis to model HCIT's optical train and coronagraph.

space telescopes↗

DOE OSTI2020

Volumetric analysis and mesh generation of real and artificial microstructural geometries

Producing a viable finite element mesh of realistic microstructural structural geometry is a critical step in analyzing the thermo-mechanical behavior of complex multi-material composites. Advancements in imaging technology such as micro computed tomography have allowed modelers to access high resolution mesoscale geometries for direct numerical simulation. However, converting from voxel based 3D images to usable finite element meshes has been challenging. A robust method including algorithms and software scripts for generating finite element meshes from 3D imaged microstructures is presented in this paper. It includes a routine for inserting cohesive elements around material interfaces to enable modeling of interface properties including delamination and damage. The algorithms and procedures presented in this method leverage currently available software packages for processing surface based geometry into volume based meshes. In addition to converting real geometry from physical imaging systems, algorithms for producing numerically generated and statistically equivalent microstructural geometry are also included. These artificial microstructures can be a valuable resource for modelers when physical specimens do not exist or are limited in quantity: Method establishes a workflow from voxel data to viable finite element mesh including interface information, and Includes a method for synthetic geometry generation based on metrics from real microstructures.

36 MATERIALS SCIENCE↗

NASA NTRS2000

TE/TM Simulations of Interferometric Measurements

Interferometric synthetic aperture radar (IFSAR) measurements at X-, C-, L-, and P-band are used to derive ground topography at meter level resolution. Interpretation of the derived topography requires attention due to the complex interaction of the radar signal with ground cover. The presence of penetrable surfaces such as vegetation, and tree canopies poses a challenge since the depth of penetration depends on a number of parameters such as the operating radar frequency, polarization, incident angle, as well as terrain structure. The dependence of the reconstructed topography on polarization may lead to the characterization of the ground cover. Simulation of interferometric measurements is useful for interpretation of the derived topography (B. Houshmand, Proceedings of URSI, 314, 1997). In this talk , time domain simulations for interferometric measurement for TE- and TM- polarization are presented. Time domain simulation includes the effects of the surface material property as well geometry comparable the radar signal wavelength (B. Houshmand, Proceedings of the URSI, 25, 1998). The IFSAR simulation is carried out in two steps. First, the forward scattering data is generated based on full wave analysis. Next, the electromagnetic information is inverted to generate surface topography. This inversion is based on the well known IFSAR processing technique which is composed of signal compression, and formation of an interferogram. The full wave forward scattering data is generated by the scattered-field formulation of the FDTD algorithm. The simulation is carried out by exciting the computational domain by a radar signal. The scattered field is then computed and translated to the receiving interferometric antennas using the time-domain Huygen's principle. The inversion process starts by compressing the time-domain data. The range compressed data from both receivers are then coregistered to form an interferogram. The resulting interferogram is then related to the ground topography using the radar imaging geometry. In this talk, the simulation results are compared with the C-band TM IFSAR derived topography, and the TE/TM SAR images at L-Band.

Houshmand, Bijan↗

NASA NTRS1991

Spatial orientation and dynamics in virtual reality systems - Lessons from flight simulation

Artificial representations of virtual worlds are becoming more common due to advances in the technology of image generation and display systems. Application areas include flight simulation, mission rehearsal, teleoperator systems, and virtual reality systems. System developers should be forewarned that some proportion of users will experience perceptual anomalies and symptoms of motion sickness as a result of travel through virtual space.

Mccauley, Michael E.↗

NASA NTRS1985

Variability in the high energy gamma ray emission from Cyg X-3 over a two-year period (1983 - 1984) at E 4 x 10(11) eV

Cygnus X-3 is observed to emit gamma rays with energies in excess of 4 x 10 to the 11th power eV during two out of 9 observational categories over an 18 month time span. The emissions are observed at the 0.6 phase of the characteristic 4.8 hr light curve for this binary system. We estimate a peak flux at phase 0.6 of 5 x 10 to the minus 10th power photons cm-2s-1 at a software threshold of 8 x 10 to the 11th power eV for Oct/Nov 1983. A flux for the June 84 effect cannot be reliably calculated at present due to lack of Monte Carlo simulations for the energy range and spectral region. For the other 7 observational categories the observations are consistent with zero source emission. The light curve would appear to be variable on a time scale of a couple of weeks at these categories. Selection of compact images in accordance with Monte Carlo simulations combined with empirical optimization techniques have led to an enriched gamma ray light curve for the Oct/Nov 1983 data. Selection on the basis of shower orientation, however, has not led to any notable enhancement of the gamma ray content. Individual Cherenko images can be reliably sorted on an event by event basis into either proton-induced or photon-induced showers.

Cawley, M. F.↗

NASA NTRS1972

The use of a simulator in a synthetic aperture radar data processing tradeoff study.

A computer simulation of a synthetic aperture radar system is described. The objective in developing the simulator was to make it possible to assess the imaging performance of various configurations against a variety of target types. The simulation involves targets, the radar system itself, and the processor; several analysis and output options are provided. Targets may be internally generated or come from external sources, or externally produced (e.g., real) radar signals can be used. A number of parameters of the radar system can be varied. The characteristics of the processor can be adjusted to a considerable extent. Statistical analyses may be performed. Several output options are available, including imagery.

Lybanon, M.↗

DOE OSTI2020

Exploring the Great Pyramid: Stand-Alone Monte Carlo Simulations for Detector Optimization

Cosmic-ray muon imaging has been used to non-destructively examine the Pyramids of Khufu and Khafre on the Giza Plateau; the EGP project will continue this line of research by undertaking a full tomographic scan of the former and, in doing so, will increase the sensitivity of the technique by upwards of two orders of magnitude. This paper details the development of stand-alone Monte Carlo simulations intended to aid in optimizing the EGP detector system. While the rectangular scintillator model considered here does provide sucient position resolution in a few specic test cases, it is not the optimal telescope design. An attempted detector modication to permit tagging of muons by their incident momenta is also discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

First Sagittarius A* Event Horizon Telescope Results. I. The Shadow of the Supermassive Black Hole in the Center of the Milky Way

We present the first Event Horizon Telescope (EHT) observations of Sagittarius A* (Sgr A*), the Galactic center source associated with a supermassive black hole. These observations were conducted in 2017 using a global interferometric array of eight telescopes operating at a wavelength of λ = 1.3 mm. The EHT data resolve a compact emission region with intrahour variability. A variety of imaging and modeling analyses all support an image that is dominated by a bright, thick ring with a diameter of 51.8 ± 2.3 μas (68% credible interval). The ring has modest azimuthal brightness asymmetry and a comparatively dim interior. Using a large suite of numerical simulations, we demonstrate that the EHT images of Sgr A* are consistent with the expected appearance of a Kerr black hole with mass ∼4 × 10$^{6}$ M $_{⊙}$, which is inferred to exist at this location based on previous infrared observations of individual stellar orbits, as well as maser proper-motion studies. Our model comparisons disfavor scenarios where the black hole is viewed at high inclination (i > 50°), as well as nonspinning black holes and those with retrograde accretion disks. Our results provide direct evidence for the presence of a supermassive black hole at the center of the Milky Way, and for the first time we connect the predictions from dynamical measurements of stellar orbits on scales of 10$^{3}$–10$^{5}$ gravitational radii to event-horizon-scale images and variability. Furthermore, a comparison with the EHT results for the supermassive black hole M87* shows consistency with the predictions of general relativity spanning over three orders of magnitude in central mass.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1992

Diversity imaging techniques in lidar

Diversity imaging techniques have been successfully employed in conventional microwave range-Doppler imaging radars to obtain high resolution images of both natural and man-made targets. These techniques allow microwave radars to achieve image resolution which would otherwise require excessively large antennas. Recent advances in coherent laser radar techniques and signal processing have led to the development of range-Doppler imaging laser radars. While much of the theory and signal processing techniques used in microwave radars can be brought to bear on laser radars, the significant difference in wavelength results in issues peculiar to laser radar systems. Both the fundamental concepts and specific applications of diversity imaging techniques applied to laser radar imaging systems will be discussed. Angle, frequency, and bistatic angle degrees of freedom can be employed in a coherent laser radar imaging system to achieve image resolution which exceeds the traditional Rayleigh criterion associated with the receive aperture. In diversity imaging, angle and frequency degrees of freedom can be used to synthesize an effective aperture providing range and Doppler target information. The ability to vary the bistatic angle provides an additional means of synthesizing an effective aperture. Both simulated and experimentally obtained laser radar images of spinning and/or tumbling objects utilizing both angular and frequency diversity will be presented. In coherent laser radar systems, image quality can be dominated by laser speckle effects. In particular, the signal-to-noise ratio (SNR) of a coherent laser radar image is at most unity in the presence of fully developed speckle. Diversity techniques can be utilized to improve the image SNR; simple incoherent averaging of images utilizing temporal and polarization degrees of freedom can significantly improve image SNR. Both the SNR and image resolution (as defined by the synthetic aperture) contribute to image quality. The relationship between the available degrees of freedom and image quality are discussed.

Schultz, K. I.↗

DOE OSTI2024

On the measurement of shape: With applications to lunar regolith

With the renewed commitment from NASA and other commercial entities for a presence on the Moon, the importance of understanding the characteristics of lunar regolith and how to utilize it have become the target of increasing scrutiny. Much of what is known about lunar regolith was collected during and immediately after the Apollo program, however, analytical techniques and instrumentation have advanced in leaps and bounds in the subsequent decades. Specifically, dynamic image analysis systems have advanced to the point that millions of particles can have morphological characteristics automatically determined in relatively short time frames. Particle morphological data was collected on several lunar samples and a pair of widely used regolith simulants to ascertain the accuracy of these simulants and to explore statistical analysis methods of these large datasets. It is found that these morphology datasets can vary widely depending on the particle size of the particles, and simple averaging of the data skews the results heavily towards the numerically abundant size ranges, the fines. Different reporting methods are suggested to ameliorate these problems. When applied to the lunar regolith, the particles are noted to be less morphologically complex than initially suspected. Compared to the lunar material, the simulants are found to contain some more morphological variability and angular grains. Such difference is likely due to the wildly different comminution processes that these different powder systems are subjected to.

2D shape↗

DOE OSTI2024

Cohesive phase-field chemo-mechanical simulations of inter- and trans- granular fractures in polycrystalline NMC cathodes via image-based 3D reconstruction

The optimal design and durable utilization of lithium-ion batteries necessitates an objective modeling approach to understand fracture and failure mechanisms. This paper presents a comprehensive chemo-mechanical modeling study focused on elucidating fracture-induced damage and degradation phenomena in the polycrystalline Li $\mathcal{x}$ Ni 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) cathode. An innovative approach that utilizes image-based reconstructed 3D geometry as finite element (FE) mesh input is employed to enhance the precision in capturing the convoluted architecture and morphological features. For accurately representing the intricate crack configurations within the polycrystalline system, we adopted the cohesive phase-field fracture (CPF) model. Through the integration of advanced image-based geometry reconstruction technique and the promising CPF modeling approach, lithium (de)intercalation induced crack evolution (e.g., nucleation, propagation, branching and diverse modes including inter-/trans-(intra-) granular patterns) and the resulting chemical degradation can be precisely captured, which is also compared and validated with numerical predictions using a continuum damage model. In particular, this model predicts fracture induced degradation under varying fracture properties of grain boundaries and charging rates; the conclusion that NMC particles comprised of larger grains are predicted to have less degradation than those with smaller grains can also be drawn. This comprehensive analysis provides valuable insights into the fracture and degradation within polycrystalline NMC cathodes.

25 ENERGY STORAGE↗