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Post-flight Reconstruction for a Mars Ascent Vehicle

As the design of a Mars Ascent Vehicle as part of the Mars Sample Return Campaign continues to mature, new focus is placed on the ability to reconstruct and validate the as-flown performance in post-flight analysis. This is increasingly important as the vehicle considers alternate design concepts that offer significant mass reductions at a cost of reduced onboard sensing capabilities. To understand architectural impacts to validate as-inserted vehicle conditions, the MAV team has assessed several options for capturing this data either on the vehicle or using external tracking options. This paper summarizes potential architectures, their associated performance, and integration challenges.

Evan Anzalone↗
DOE OSTI2020

On a Method For Reconstructing Computed Tomography Datasets from an Unstable Source

As work continues in neutron computed tomography, at Los Alamos Neutron Science Center (LANSCE) and other locations, source reliability over the long imaging times is an issue of increasing importance. Moreover, given the time commitment involved in a single neutron image, it is impractical to simply discard a scan and restart in the event of beam instability. In order to mitigate the cost and time associated with these options, strategies are presented in the current work to produce a successful reconstruction of computed tomography data from an unstable source. The present work uses a high energy neutron tomography dataset from a simulated munition collected at LANSCE to demonstrate the method, which is general enough to be of use in conjunction with unstable X-ray computed tomography sources as well.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Consensus Equilibrium for Subsurface Delineation

Heterogeneity and insufficient site characterization limit our knowledge of the subsurface. Inversion techniques, which minimize the mismatch between observations and model predictions, have become an essential tool of subsurface characterization. Most optimization-based approaches fail to incorporate various implicit priors and capture the geological complexity. We overcome these limitations by deploying the plug-and-play and consensus equilibrium (CE) strategies, which provide a flexible framework for image reconstruction. Our CE methodology for spatial delineation of geologic formations consists of an image denoiser and a variational auto-encoder (deep learning-based emulator). The former ameliorates the reconstruction noise, yielding well-defined geological structures; its mathematical equivalence with the proximal operator allows the deployment of advanced denoisers (e.g., CNN-based denoiser) that do not correspond to a regularization objective. The latter defines a geology prior that imposes a geological constraint, for example, continuity and shape of geological features, onto the reconstructed image. Here, we conduct a series of numerical experiments dealing with transient two-dimensional flow driven by a pumping well and natural hydraulic head gradient. They demonstrate the CE framework's ability to delineate, both probabilistically and deterministically, complex subsurface environments with sufficient quality.

42 ENGINEERING↗
DOE OSTI2021

Scattering Matrix Determination in Crystalline Materials from 4D Scanning Transmission Electron Microscopy at a Single Defocus Value

Recent work has revived interest in the scattering matrix formulation of electron scattering in transmission electron microscopy as a stepping stone toward atomic-resolution structure determination in the presence of multiple scattering. Here, we discuss ways of visualizing the scattering matrix that make its properties clear. Through a simulation-based case study incorporating shot noise, we shown how regularizing on this continuity enables the scattering matrix to be reconstructed from 4D scanning transmission electron microscopy (STEM) measurements from a single defocus value. Intriguingly, for crystalline samples, this process also yields the sample thickness to nanometer accuracy with no a priori knowledge about the sample structure. The reconstruction quality is gauged by using the reconstructed scattering matrix to simulate STEM images at defocus values different from that of the data from which it was reconstructed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Penalized maximum likelihood reconstruction for x-ray differential phase-contrast tomography

Purpose: The purpose of this work is to propose a cost function with regularization to iteratively reconstruct attenuation, phase, and scatter images simultaneously from differential phase contrast (DPC) acquisitions, without the need of phase retrieval, and examine its properties. Furthermore this reconstruction method is applied to an acquisition pattern that is suitable for a DPC tomographic system with continuously rotating gantry (sliding window acquisition), overcoming the severe smearing in noniterative reconstruction. Methods: We derive a penalized maximum likelihood reconstruction algorithm to directly reconstruct attenuation, phase, and scatter image from the measured detector values of a DPC acquisition. The proposed penalty comprises, for each of the three images, an independent smoothing prior. Image quality of the proposed reconstruction is compared to images generated with FBP and iterative reconstruction after phase retrieval. Furthermore, the influence between the priors is analyzed. Finally, the proposed reconstruction algorithm is applied to experimental sliding window data acquired at a synchrotron and results are compared to reconstructions based on phase retrieval. Results: The results show that the proposed algorithm significantly increases image quality in comparison to reconstructions based on phase retrieval. No significant mutual influence between the proposed independent priors could be observed. Further it could be illustrated that the iterative reconstruction of a sliding window acquisition results in images with substantially reduced smearing artifacts. Conclusions: Although the proposed cost function is inherently nonconvex, it can be used to reconstruct images with less aliasing artifacts and less streak artifacts than reconstruction methods based on phase retrieval. Furthermore, the proposed method can be used to reconstruct images of sliding window acquisitions with negligible smearing artifacts.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2016

WE-DE-BRA-01: SCIENCE COUNCIL JUNIOR INVESTIGATOR COMPETITION WINNER: Acceleration of a Limited-Angle Intrafraction Verification (LIVE) System Using Adaptive Prior Knowledge Based Image Estimation

Purpose: To develop an adaptive prior knowledge based image estimation method to reduce the scan angle needed in the LIVE system to reconstruct 4D-CBCT for intrafraction verification. Methods: The LIVE system has been previously proposed to reconstructs 4D volumetric images on-the-fly during arc treatment for intrafraction target verification and dose calculation. This system uses limited-angle beam’s eye view (BEV) MV cine images acquired from the treatment beam together with the orthogonally acquired limited-angle kV projections to reconstruct 4D-CBCT images for target verification during treatment. In this study, we developed an adaptive constrained free-form deformation reconstruction technique in LIVE to further reduce the scanning angle needed to reconstruct the CBCT images. This technique uses free form deformation with energy minimization to deform prior images to estimate 4D-CBCT based on projections acquired in limited angle (orthogonal 6°) during the treatment. Note that the prior images are adaptively updated using the latest CBCT images reconstructed by LIVE during treatment to utilize the continuity of patient motion.The 4D digital extended-cardiac-torso (XCAT) phantom was used to evaluate the efficacy of this technique with LIVE system. A lung patient was simulated with different scenario, including baseline drifts, amplitude change and phase shift. Limited-angle orthogonal kV and beam’s eye view (BEV) MV projections were generated for each scenario. The CBCT reconstructed by these projections were compared with the ground-truth generated in XCAT.Volume-percentage-difference (VPD) and center-of-mass-shift (COMS) were calculated between the reconstructed and the ground-truth tumors to evaluate the reconstruction accuracy. Results: Using orthogonal-view of 6° kV and BEV- MV projections, the VPD/COMS values were 12.7±4.0%/0.7±0.5 mm, 13.0±5.1%/0.8±0.5 mm, and 11.4±5.4%/0.5±0.3 mm for the three scenarios, respectively. Conclusion: The technique enables LIVE to accurately reconstruct 4D-CBCT images using only orthogonal 6° angle, which greatly improves the efficiency and reduces dose of LIVE for intrafraction verification.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Design-to-Deployment Continuum Platform for Microscopes and Computing Ecosystems

Science ecosystems with networked computing systems and physical instruments are increasingly being deployed with a goal to achieve the productivity promised by AI-supported remote automation. In support of these efforts, the virtual infrastructure twins (VITs) have been successfully utilized to develop the orchestration codes for these ecosystems without requiring physical access to expensive instruments, such as electron microscopes. Currently, the utility of such a VIT is severely limited by the computing capacity and capability of the computing system used as its host. Furthermore, codes developed on the VIT typically need to be transferred and refactored for production use, particularly, on high-performance systems with accelerators. In response, we develop a design-to-deployment continuum platform wherein a VIT runs natively on the ecosystem's own computing system, and thereby facilitates the continual in-situ testing and transition of codes for production use. Here, we describe the development and testing of software for remote microscope steering and GPU-based image reconstruction using this platform on a multi-GPU computing system networked to Nion microscopes. We demonstrate a continual transition of steering and reconstruction codes developed under VIT platform to production ecosystem deployment.

Al-Najjar, Anees [Oak Ridge National Laboratory (O↗
DOE OSTI2026

Learning neural representations for X-ray ptychography reconstruction with unknown probes

X-ray ptychography provides exceptional nanoscale resolution and is widely applied in materials science, biology, and nanotechnology. However, its full potential is constrained by the critical challenge of accurately reconstructing images when the illuminating probe is unknown. Conventional iterative methods and deep learning approaches are often suboptimal, particularly under the low-signal conditions inherent to low-dose and high-speed experiments. These limitations compromise reconstruction fidelity and restrict the broader adoption of the technique. In this work, we introduce the Ptychographic Implicit Neural Representation (PtyINR), a self-supervised framework that simultaneously addresses the object- and probe-recovery problem. By parameterizing both as continuous neural representations, PtyINR performs end-to-end reconstruction directly from raw diffraction patterns without requiring any pre-characterization of the probe. Extensive evaluations demonstrate that PtyINR achieves superior reconstruction quality on both simulated and experimental data, with remarkable robustness under challenging low-signal conditions. Furthermore, PtyINR offers a generalizable, physics-informed framework for addressing probe-dependent inverse problems, making it applicable to a wide range of computational microscopy problems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Velocity reconstruction in the era of DESI and Rubin/LSST. II. Realistic samples on the light cone

Reconstructing the galaxy peculiar velocity field from the distribution of large-scale structure plays an important role in cosmology. On one hand, it gives us an insight into structure formation and gravity; on the other, it allows us to selectively extract the kinetic Sunyaev-Zel’dovich (kSZ) effect from cosmic microwave background maps. In this work, we employ high-accuracy synthetic galaxy catalogs on the light cone to investigate how well we can recover the velocity field when utilizing the three-dimensional spatial distribution of the galaxies in a modern large-scale structure experiment such as the Dark Energy Spectroscopic Instrument (DESI) and the Rubin Observatory Legacy Survey of Space and Time. In particular, we adopt the standard technique used in baryon acoustic oscillation analysis for reconstructing the Zel’dovich displacements of galaxies through the continuity equation, which yields a first-order approximation to their large-scale velocities. We investigate variations in the number density, bias, mask, area, redshift noise, and survey depth, as well as modifications to the settings of the standard reconstruction algorithm. Since our main goal is to provide guidance for planned kSZ analysis between DESI and the Atacama Cosmology Telescope, we apply velocity reconstruction to a faithful representation of DESI spectroscopic and photometric targets. We report the cross-correlation coefficient between the reconstructed and the true velocities along the line of sight. For the DESI Y1 spectroscopic survey, we expect the correlation coefficient to be r ≈ 0.64, while for a photometric survey with δ z /(1+z) = 0.02, as is approximately the case for the Legacy Survey used in the target selection of DESI galaxies, r shrinks by half to r ≈ 0.31. Here, we hope the results in this paper can be used to inform future kSZ stacking studies and other velocity reconstruction analyses planned with the next generation of cosmology experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Parallelized and Vectorized Tracking Using Kalman Filters with CMS Detector Geometry and Events

The High-Luminosity Large Hadron Collider at CERN will be characterized by greater pileup of events and higher occupancy, making the track reconstruction even more computationally demanding. Existing algorithms at the LHC are based on Kalman filter techniques with proven excellent physics performance under a variety of conditions. Starting in 2014, we have been developing Kalman-filter-based methods for track finding and fitting adapted for many-core SIMD processors that are becoming dominant in high-performance systems. This paper summarizes the latest extensions to our software that allow it to run on the realistic CMS-2017 tracker geometry using CMSSW-generated events, including pileup. The reconstructed tracks can be validated against either the CMSSW simulation that generated the hits, or the CMSSW reconstruction of the tracks. In general, the code's computational performance has continued to improve while the above capabilities were being added. We demonstrate that the present Kalman filter implementation is able to reconstruct events with comparable physics performance to CMSSW, while providing generally better computational performance. Further plans for advancing the software are discussed.

Cerati, Giuseppe↗
DOE OSTI2014

Effects of small variations of speed of sound in optoacoustic tomographic imaging

Purpose: Speed of sound difference in the imaged object and surrounding coupling medium may reduce the resolution and overall quality of optoacoustic tomographic reconstructions obtained by assuming a uniform acoustic medium. In this work, the authors investigate the effects of acoustic heterogeneities and discuss potential benefits of accounting for those during the reconstruction procedure. Methods: The time shift of optoacoustic signals in an acoustically heterogeneous medium is studied theoretically by comparing different continuous and discrete wave propagation models. A modification of filtered back-projection reconstruction is subsequently implemented by considering a straight acoustic rays model for ultrasound propagation. The results obtained with this reconstruction procedure are compared numerically and experimentally to those obtained assuming a heuristically fitted uniform speed of sound in both full-view and limited-view optoacoustic tomography scenarios. Results: The theoretical analysis showcases that the errors in the time-of-flight of the signals predicted by considering the straight acoustic rays model tend to be generally small. When using this model for reconstructing simulated data, the resulting images accurately represent the theoretical ones. On the other hand, significant deviations in the location of the absorbing structures are found when using a uniform speed of sound assumption. The experimental results obtained with tissue-mimicking phantoms and a mouse postmortem are found to be consistent with the numerical simulations. Conclusions: Accurate analysis of effects of small speed of sound variations demonstrates that accounting for differences in the speed of sound allows improving optoacoustic reconstruction results in realistic imaging scenarios involving acoustic heterogeneities in tissues and surrounding media.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Modulation of Carrier Type in Nanocrystal-in-Matrix Composites by Interfacial Doping

Inorganic nanocomposites synthesized by combination of colloidal nanocrystals (NCs) and inorganic clusters have recently emerged as new materials with novel and unique functionalities. Much of the demonstrated promise of nanocomposites derives from the unique interactions between NC and matrix components—this generates new material properties, which direct unique transport behavior in the overall solid or nanocomposite—be it mass, charge, or heat. While measured empirically, it has remained largely impossible to take an a priori look at material properties and use those as a guideline to design desired transport behavior. Fundamentally, this is because the structural and electronic changes manifest at those interfaces have remained hidden from examination. We provide experimental evidence that transport behavior in nanocrystal-in-matrix (NIM) composites is dictated primarily by interfacial charge transfer associated with electronic and structural reconstructions as the composite forms. Our approach building continuous composite superlattices serves as a starting point for systematic probing of the nanointerface of NIM composites via ultrathin films. A combination of field effect transistor device characterization and photoemission spectroscopy reveals the systematic dependence of the polarity of charge transfer on the selection of matrix materials in NIM composites. We use this insight to combine, by design, different components to tune the carrier type in NIM composites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Characterization of Oxygenaceous Species Formed by Exposure of Ag(111) to Atomic Oxygen

The uptake and chemical speciation of oxygen in and on Ag(111) surface is described herein. An Ag(111) surface was exposed to gas-phase oxygen atoms under ultrahigh vacuum compatible conditions at various surface temperatures. The O uptake was quantified using temperature-programmed desorption measurements and showed that oxygen exposures at temperatures above 500 K yielded only surface-adsorbed oxygen in a single surface reconstruction. At temperatures below 500 K, O uptake continued past O surface saturation, and a maximum in the uptake with respect to exposure temperature was observed at 450 K. A model where O atoms must diffuse out of subsurface absorption sites to free room for further O describes this observation. The chemical speciation of the oxygenaceous species formed under these conditions was achieved using X-ray photoelectron spectroscopy. These data show that a single O species initially formed on the surface, but at higher coverages, a new, three-dimensional oxygenaceous phase developed. Because of the importance of silver in heterogeneously catalyzed partial oxidation reactions, these results show that oxygen species embedded below the surface plane must be incorporated into accurate models of Ag-surface catalyzed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2008

Modelling a Simultaneous Radio/X-Ray Flare from Cyg X-1

The long-term monitoring campaign of Cyg X-1 has provided the detection of the first simultaneous radio/X-ray flare seen from that source. We investigate the physical characteristics of the event in terms of emission from a homogeneous, expanding blob of pair-plasma, superimposed on a baseline flux in both bands. We find that while the radio flare can be reconstructed under various configurations of a cooling blob, continuous (re)acceleration of particles inside the jet is necessary to sustain X-ray emission at the levels implied by the data, for the observed duration. We present major results of the modelling and discuss implications for the role of microquasar jets.

Leventis, Konstantinos↗
DOE OSTI2019

Compressed video camera with a moving patterned disk

A high-speed video system is disclosed that includes a moving image absorbing disk at an image plane. The disk has a pattern that passes and blocks image data. The disk is located between an event and an image sensor, or reflects an image to the image sensor. The disk is rotated at a speed that matches the desired reconstructed image frame rate. The image sensor frame data is processed using image reconstruction techniques, such as the D-AMP or TWIST algorithm, to recover a time sequence of reconstructed images. Additional images can be reconstructed for each image sensor frame if some spatial resolution is sacrificed. For continuous video, the disk speed is adjusted to the sensor frame rate. For burst mode, a single sensor image is acquired and a short image sequence is reconstructed. This image capture system works with a variety of radiations, including infrared, light, UV and X-rays.

42 ENGINEERING↗
DOE OSTI2015

Hyperspectral image reconstruction for x-ray fluorescence tomography

A penalized maximum-likelihood estimation is proposed to perform hyperspectral (spatio-spectral) image reconstruction for X-ray fluorescence tomography. The approach minimizes a Poisson-based negative log-likelihood of the observed photon counts, and uses a penalty term that has the effect of encouraging local continuity of model parameter estimates in both spatial and spectral dimensions simultaneously. The performance of the reconstruction method is demonstrated with experimental data acquired from a seed of arabidopsis thaliana collected at the 13-ID-E microprobe beamline at the Advanced Photon Source. The resulting element distribution estimates with the proposed approach show significantly better reconstruction quality than the conventional analytical inversion approaches, and allows for a high data compression factor which can reduce data acquisition times remarkably. In particular, this technique provides the capability to tomographically reconstruct full energy dispersive spectra without compromising reconstruction artifacts that impact the interpretation of results.

Fluorescence microscopy↗
DOE OSTI2024

Advancing set-conditional set generation: Diffusion models for fast simulation of reconstructed particles

The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve as efficient surrogate models. We propose a fast emulation approach that combines simulation and reconstruction. In other words, a neural network generates a set of reconstructed objects conditioned on input particle sets. To make this possible, we advance set-conditional set generation with diffusion models. Using a realistic, generic, and public detector simulation and reconstruction package (COCOA), we show how diffusion models can accurately model the complex spectrum of reconstructed particles inside jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Topological Considerations in Electrolyte Additives for Passivating Silicon Anodes with Hybrid Solid–Electrolyte Interphases

Unlike most anodes used in high energy density batteries, lithiated Si does not form long-lasting passivating solid-electrolyte interphases (SEI) during formation or on charge due to SEI delamination, reconstruction, or dissolution. As a result, electrolyte degradation is continuous and results in a permanent loss of the Li inventory, shortening the useful life of the battery. Here, in this study, we show that perfluoroether electrolyte additives featuring either sulfonyl fluorides or trifluorovinyl ethers, when introduced in prescribed amounts to locally superconcentrated electrolytes, exhibit preferential reactivity at Si during formation due to their higher reduction potential than salts and solvents, creating a hybrid SEI that is simultaneously enriched with LiF and organics tethered to the reactive functionality. While both reactive motifs are effective in creating a hybrid SEI, perfluoroether additives bearing sulfonyl fluorides show more substantial integration. More important, however, is the combined influence of additive topology on anchoring efficacy and tether flexibility between anchoring sites on SEI resiliency. Top-performing Si|LFP cells featuring ditopic additive-enriched SEI improve capacity retention by as much as 45% over 100 cycles when compared to additive-free cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗