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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.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Fossil Signatures Using Elemental Abundance Distributions and Bayesian Probabilistic Classification

Elemental abundances (C6, N7, O8, Na11, Mg12, Al3, P15, S16, Cl17, K19, Ca20, Ti22, Mn25, Fe26, and Ni28) were obtained for a set of terrestrial fossils and the rock matrix surrounding them. Principal Component Analysis extracted five factors accounting for the 92.5% of the data variance, i.e. information content, of the elemental abundance data. Hierarchical Cluster Analysis provided unsupervised sample classification distinguishing fossil from matrix samples on the basis of either raw abundances or PCA input that agreed strongly with visual classification. A stochastic, non-linear Artificial Neural Network produced a Bayesian probability of correct sample classification. The results provide a quantitative probabilistic methodology for discriminating terrestrial fossils from the surrounding rock matrix using chemical information. To demonstrate the applicability of these techniques to the assessment of meteoritic samples or in situ extraterrestrial exploration, we present preliminary data on samples of the Orgueil meteorite. In both systems an elemental signature produces target classification decisions remarkably consistent with morphological classification by a human expert using only structural (visual) information. We discuss the possibility of implementing a complexity analysis metric capable of automating certain image analysis and pattern recognition abilities of the human eye using low magnification optical microscopy images and discuss the extension of this technique across multiple scales.

Hoover, Richard B.↗
NASA NTRS2018

Next-Generation Sensing Technologies for Exploring Ocean Worlds

Dr. Ved Chirayath's plenary presentation will highlight two instrument technologies he invented at NASA including Fluid Lensing, the first remote sensing technology capable of imaging through ocean waves in 3D at sub-cm resolutions, and MiDAR (Multispectral Imaging, Detection and Active Reflectance), a next-generation active hyperspectral remote sensing and optical communications instrument. Fluid Lensing has been used to provide the first 3D multispectral imagery of shallow marine systems from unmanned aerial vehicles (UAVs, or drones), including coral reefs in American Samoa and stromatolite reefs in Hamelin Pool, Western Australia. MiDAR is being deployed on aircraft, and underwater remotely operated vehicles (ROVs) as a new method to remotely sense living and nonliving structures in extreme environments. MiDAR images targets with high-intensity narrowband structured optical radiation to measure an object's non-linear spectral reflectance, image through fluid interfaces such as ocean waves with active fluid lensing, and simultaneously transmit high-bandwidth data. As an active instrument, MiDAR is capable of remotely sensing reflectance at the centimeter (cm) spatial scale with a signal-to-noise ratio (SNR) multiple orders of magnitude higher than passive airborne and spaceborne remote sensing systems with significantly reduced integration time. This allows for rapid video-frame-rate hyperspectral sensing into the far ultraviolet and VNIR wavelengths. Finally, Chirayath will present preliminary results from NASA NeMO-Net (Neural Multi-Modal Observation and Training Network), the first neural network for global coral reef classification using fluid lensing and MiDAR.

Technologies↗
DOE OSTI2022

Smart quantum statistical imaging beyond the Abbe-Rayleigh criterion

The wave nature of light imposes limits on the resolution of optical imaging systems. For over a century, the Abbe-Rayleigh criterion has been utilized to assess the spatial resolution limits of imaging instruments. Recently, there has been interest in using spatial projective measurements to enhance the resolution of imaging systems. Unfortunately, these schemes require a priori information regarding the coherence properties of “unknown” light beams and impose stringent alignment conditions. Here, we introduce a smart quantum camera for superresolving imaging that exploits the self-learning features of artificial intelligence to identify the statistical fluctuations of unknown mixtures of light sources at each pixel. This is achieved through a universal quantum model that enables the design of artificial neural networks for the identification of photon fluctuations. Our protocol overcomes limitations of existing superresolution schemes based on spatial mode projections, and consequently provides alternative methods for microscopy, remote sensing, and astronomy.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2010

Multivariate Methods for Prediction of Geologic Sample Composition with Laser-Induced Breakdown Spectroscopy

Laser-induced breakdown spectroscopy (LIBS) uses pulses of laser light to ablate a material from the surface of a sample and produce an expanding plasma. The optical emission from the plasma produces a spectrum which can be used to classify target materials and estimate their composition. The ChemCam instrument on the Mars Science Laboratory (MSL) mission will use LIBS to rapidly analyze targets remotely, allowing more resource- and time-intensive in-situ analyses to be reserved for targets of particular interest. ChemCam will also be used to analyze samples that are not reachable by the rover's in-situ instruments. Due to these tactical and scientific roles, it is important that ChemCam-derived sample compositions are as accurate as possible. We have compared the results of partial least squares (PLS), multilayer perceptron (MLP) artificial neural networks (ANNs), and cascade correlation (CC) ANNs to determine which technique yields better estimates of quantitative element abundances in rock and mineral samples. The number of hidden nodes in the MLP ANNs was optimized using a genetic algorithm. The influence of two data preprocessing techniques were also investigated: genetic algorithm feature selection and averaging the spectra for each training sample prior to training the PLS and ANN algorithms. We used a ChemCam-like laboratory stand-off LIBS system to collect spectra of 30 pressed powder geostandards and a diverse suite of 196 geologic slab samples of known bulk composition. We tested the performance of PLS and ANNs on a subset of these samples, choosing to focus on silicate rocks and minerals with a loss on ignition of less than 2 percent. This resulted in a set of 22 pressed powder geostandards and 80 geologic samples. Four of the geostandards were used as a validation set and 18 were used as the training set for the algorithms. We found that PLS typically resulted in the lowest average absolute error in its predictions, but that the optimized MLP ANN and the CC ANN often gave results comparable to PLS. Averaging the spectra for each training sample and/or using feature selection to choose a small subset of wavelengths to use for predictions gave mixed results, with degraded performance in some cases and similar or slightly improved performance in other cases. However, training time was significantly reduced for both PLS and ANN methods by implementing feature selection, making this a potentially appealing method for initial, rapid-turn-around analyses necessary for Chemcam's tactical role on MSL. Choice of training samples has a strong influence on the accuracy of predictions. We are currently investigating the use of clustering algorithms (e.g. k-means, neural gas, etc.) to identify training sets that are spectrally similar to the unknown samples that are being predicted, and therefore result in improved predictions

Morris, Richard↗
NASA NTRS2020

NASA Next-Generation Sensing Technologies for Earth & Planetary Science

Dr. Ved Chirayath's seminar will highlight new sensing technologies and airborne platforms he is developing for Earth & Space Science as director of the NASA Silicon Valley Laboratory for Advanced Sensing. His talk will feature recent work on Fluid Lensing, the first remote sensing technology capable of imaging through ocean waves in 3D at sub-cm resolutions, MiDAR, a next-generation active hyperspectral remote sensing and optical communications instrument, airborne gas sensing of multipollutant combustion sources, and a plasma actuated unmanned aerial vehicle (UAV) that utilized high-voltage dielectric discharge devices to achieve the first plasma controlled flight in history.Fluid Lensing and the NASA FluidCam instrument have been used extensively to provide distortion-free 3D multispectral imagery from UAVs of shallow marine systems around the world. MiDAR is being deployed on aircraft and underwater remotely operated vehicles (ROVs) as a new method to remotely sense living and nonliving structures in extreme environments as an analog for future Ocean Worlds robotic exploration missions. Finally, Chirayath will present preliminary results from NeMO-Net, a supercomputer-based neural network that uses a citizen science video game for global multimodal coral reef benthic habitat mapping, fusing remote sensing data from Fluid Lensing, MiDAR, NASA's Earth Observing System, and commercial satellites, to better understand the present and past dynamics of shallow marine systems. Together, these maturing technologies present promising new ways in which to explore terrestrial, marine, and aerial systems on Earth, and, ultimately, aid in the search for extraterrestrial life within our solar system and beyond.

Chirayath, Ved↗
DOE OSTI2023

Enhancing Nanoparticle Detection in Interferometric Scattering (iSCAT) Microscopy Using a Mask R-CNN

Interferometric scattering microscopy (iSCAT) is a label-free optical microscopy technique that enables imaging of individual nano-objects such as nanoparticles, viruses, and proteins. Essential to this technique is the suppression of background scattering and identification of signals from nano-objects. In the presence of substrates with high roughness, scattering heterogeneities in the background, when coupled with tiny stage movements, cause features in the background to be manifested in background-suppressed iSCAT images. Traditional computer vision algorithms detect these background features as particles, limiting the accuracy of object detection in iSCAT experiments. Here, in this paper, we present a pathway to improve particle detection in such situations using supervised machine learning via a mask region-based convolutional neural network (mask R-CNN). Using a model iSCAT experiment of 19.2 nm gold nanoparticles adsorbing to a rough layer-by-layer polyelectrolyte film, we develop a method to generate labeled datasets using experimental background images and simulated particle signals and train the mask R-CNN using limited computational resources via transfer learning. We then compare the performance of the mask R-CNN trained with and without inclusion of experimental backgrounds in the dataset against that of a traditional computer vision object detection algorithm, Haar-like feature detection, by analyzing data from the model experiment. Results demonstrate that including representative backgrounds in training datasets improved the mask R-CNN in differentiating between background and particle signals and elevated performance by markedly reducing false positives. The methodology for creating a labeled dataset with representative experimental backgrounds and simulated signals facilitates the application of machine learning in iSCAT experiments with strong background scattering and thus provides a useful workflow for future researchers to improve their image processing capabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Estimation and Bias Correction of Aerosol Abundance using Data-driven Machine Learning and Remote Sensing

Air quality information is increasingly becoming a public health concern, since some of the aerosol particles pose harmful effects to peoples health. One widely available metric of aerosol abundance is the aerosol optical depth (AOD). The AOD is the integrated light extinction coefficient over a vertical atmospheric column of unit cross section, which represents the extent to which the aerosols in that vertical profile prevent the transmission of light by absorption or scattering. The comparison between the AOD measured from the ground-based Aerosol Robotic Network (AERONET) system and the satellite MODIS instruments at 550 nm shows that there is a bias between the two data products. We performed a comprehensive analysis exploring possible factors which may be contributing to the inter-instrumental bias between MODIS and AERONET. The analysis used several measured variables, including the MODIS AOD, as input in order to train a neural network in regression mode to predict the AERONET AOD values. This not only allowed us to obtain an estimate, but also allowed us to infer the optimal sets of variables that played an important role in the prediction. In addition, we applied machine learning to infer the global abundance of ground level PM2.5 from the AOD data and other ancillary satellite and meteorology products. This research is part of our goal to provide air quality information, which can also be useful for global epidemiology studies.

Malakar, Nabin K.↗
DOE OSTI2021

Small footprint optoelectrodes using ring resonators for passive light localization

The combination of electrophysiology and optogenetics enables the exploration of how the brain operates down to a single neuron and its network activity. Neural probes are in vivo invasive devices that integrate sensors and stimulation sites to record and manipulate neuronal activity with high spatiotemporal resolution. State-of-the-art probes are limited by tradeoffs involving their lateral dimension, number of sensors, and ability to access independent stimulation sites. Here, we realize a highly scalable probe that features three-dimensional integration of small-footprint arrays of sensors and nanophotonic circuits to scale the density of sensors per cross-section by one order of magnitude with respect to state-of-the-art devices. For the first time, we overcome the spatial limit of the nanophotonic circuit by coupling only one waveguide to numerous optical ring resonators as passive nanophotonic switches. With this strategy, we achieve accurate on-demand light localization while avoiding spatially demanding bundles of waveguides and demonstrate the feasibility with a proof-of-concept device and its scalability towards high-resolution and low-damage neural optoelectrodes.

42 ENGINEERING↗
DOE OSTI2022

Real-time X-ray phase-contrast imaging using SPINNet—a speckle-based phase-contrast imaging neural network

X-ray phase-contrast imaging has become indispensable for visualizing samples with low absorption contrast. In this regard, speckle-based techniques have shown significant advantages in spatial resolution, phase sensitivity, and implementation flexibility compared with traditional methods. However, the computational cost associated with data inversion has hindered their wider adoption. By exploiting the power of deep learning, we developed a speckle-based phase-contrast imaging neural network (SPINNet) that significantly improves the imaging quality and boosts the phase retrieval speed by at least 2 orders of magnitude compared to existing methods. To achieve this performance, we combined SPINNet with a coded-mask-based technique, an enhanced version of the speckle-based method. Using this scheme, we demonstrate the simultaneous reconstruction of absorption and phase images on the order of 100 ms, where a traditional correlation-based analysis would take several minutes even with a cluster. In addition to significant improvement in speed, our experimental results show that the imaging and phase retrieval quality of SPINNet outperform existing single-shot speckle-based methods. Furthermore, we successfully demonstrate SPINNet application in x-ray optics metrology and 3D x-ray phase-contrast tomography. Our result shows that SPINNet could enable many applications requiring high-resolution and fast data acquisition and processing, such as in situ and in operando 2D and 3D phase-contrast imaging and real-time at-wavelength metrology and wavefront sensing.

36 MATERIALS SCIENCE↗
NASA NTRS2021

Impact of Spectral Resolution on Quantifying Cyanobacteria in Lakes and Reservoirs: A Machine-Learning Assessment

Cyanobacterial harmful algal blooms are an increasing threat to coastal and inland waters. These blooms can be detected using optical radiometers due to the presence of phycocyanin (PC) pigments. The spectral resolution of best-available multispectral sensors limits their ability to diagnostically detect PC in the presence of other photosynthetic pigments. To assess the role of spectral resolution in the determination of PC, a large ( N=905 ) database of colocated in situ radiometric spectra and PC are employed. We first examine the performance of selected widely used machine-learning (ML) models against that of benchmark algorithms for hyperspectral remote sensing reflectance ( R_(rs) ) spectra resampled to the spectral configuration of the Hyperspectral Imager for the Coastal Ocean (HICO) with a full-width at half-maximum (FWHM) of < 6 nm. Results show that the multilayer perceptron (MLP) neural network applied to HICO spectral configurations (median errors < 65%) outperforms other ML models. This model is subsequently applied to R_(rs) spectra resampled to the band configuration of existing satellite instruments and of the one proposed for the next Landsat sensor. These results confirm that employing MLP models to estimate PC from hyperspectral data delivers tangible improvements compared with retrievals from multispectral data and benchmark algorithms (with median errors between ∼73 % and 126%) and shows promise for developing a globally applicable cyanobacteria measurement approach.

hyperspectral↗
NASA NTRS2018

NASA NeMO-Net

We present preliminary results from NASA NeMO-Net, the first neural multi-modal observation and training network for global coral reef assessment. NeMO-Net is an open-source deep convolutional neural network (CNN) and interactive active learning training software in development which will assess the present and past dynamics of coral reef ecosystems. NeMO-Net exploits active learning and data fusion of mm-scale remotely sensed 3D images of coral reefs captured using fluid lensing with the NASA FluidCam instrument, presently the highest-resolution remote sensing benthic imaging technology capable of removing ocean wave distortion, as well as hyperspectral airborne remote sensing data from the ongoing NASA CORAL mission and lower-resolution satellite data to determine coral reef ecosystem makeup globally at unprecedented spatial and temporal scales. Aquatic ecosystems, particularly coral reefs, remain quantitatively misrepresented by low- resolution remote sensing as a result of refractive distortion from ocean waves, optical attenuation, and remoteness. Machine learning classification of coral reefs using FluidCam mm-scale 3D data show that present satellite and airborne remote sensing techniques poorly characterize coral reef percent living cover, morphology type, and species breakdown at the mm, cm, and meter scales. Indeed, current global assessments of coral reef cover and morphology classification based on km-scale satellite data alone can suffer from segmentation errors greater than 40%, capable of change detection only on yearly temporal scales and decameter spatial scales, significantly hindering our understanding of patterns and processes in marine biodiversity at a time when these ecosystems are experiencing unprecedented anthropogenic pressures, ocean acidification, and sea surface temperature rise. NeMO-Net leverages our augmented machine learning algorithm that demonstrates data fusion of regional FluidCam (mm, cm-scale) airborne remote sensing with global low-resolution (m, km-scale) airborne and spaceborne imagery to reduce classification errors up to 80% over regional scales. Such technologies can substantially enhance our ability to assess coral reef ecosystems dynamics.

NASA↗
DOE OSTI2020

Quantum adiabatic machine learning by zooming into a region of the energy surface

Recent work has shown that quantum annealing for machine learning, referred to as QAML, can perform comparably to state-of-the-art machine learning methods with a specific application to Higgs boson classification. Here, we propose QAML-Z, an algorithm that iteratively zooms in on a region of the energy surface by mapping the problem to a continuous space and sequentially applying quantum annealing to an augmented set of weak classifiers. Results on a programmable quantum annealer show that QAML-Z matches classical deep neural network performance at small training set sizes and reduces the performance margin between QAML and classical deep neural networks by almost 50% at large training set sizes, as measured by area under the receiver operating characteristic curve. The significant improvement of quantum annealing algorithms for machine learning and the use of a discrete quantum algorithm on a continuous optimization problem both opens a class of problems that can be solved by quantum annealers and suggests the approach in performance of near-term quantum machine learning towards classical benchmarks.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2018

NeMO-Net & Fluid Lensing: The Neural Multi-Modal Observation & Training Network for Global Coral Reef Assessment Using Fluid Lensing Augmentation of NASA EOS Data

We present preliminary results from NASA NeMO-Net, the first neural multi-modal observation and training network for global coral reef assessment. NeMO-Net is an open-source deep convolutional neural network (CNN) and interactive active learning training software in development which will assess the present and past dynamics of coral reef ecosystems. NeMO-Net exploits active learning and data fusion of mm-scale remotely sensed 3D images of coral reefs captured using fluid lensing with the NASA FluidCam instrument, presently the highest-resolution remote sensing benthic imaging technology capable of removing ocean wave distortion, as well as hyperspectral airborne remote sensing data from the ongoing NASA CORAL mission and lower-resolution satellite data to determine coral reef ecosystem makeup globally at unprecedented spatial and temporal scales. Aquatic ecosystems, particularly coral reefs, remain quantitatively misrepresented by low-resolution remote sensing as a result of refractive distortion from ocean waves, optical attenuation, and remoteness. Machine learning classification of coral reefs using FluidCam mm-scale 3D data show that present satellite and airborne remote sensing techniques poorly characterize coral reef percent living cover, morphology type, and species breakdown at the mm, cm, and meter scales. Indeed, current global assessments of coral reef cover and morphology classification based on km-scale satellite data alone can suffer from segmentation errors greater than 40%, capable of change detection only on yearly temporal scales and decameter spatial scales, significantly hindering our understanding of patterns and processes in marine biodiversity at a time when these ecosystems are experiencing unprecedented anthropogenic pressures, ocean acidification, and sea surface temperature rise. NeMO-Net leverages our augmented machine learning algorithm that demonstrates data fusion of regional FluidCam (mm, cm-scale) airborne remote sensing with global low-resolution (m, km-scale) airborne and spaceborne imagery to reduce classification errors up to 80% over regional scales. Such technologies can substantially enhance our ability to assess coral reef ecosystems dynamics.

satellite data↗
NASA NTRS2022

Effective Uncertainty Quantification for Multi-Angle Polarimetric Aerosol Remote Sensing Over Ocean

Multi-angle polarimetric (MAP) measurements can enable detailed characterization of aerosol microphysical and optical properties and improve atmospheric correction in ocean color remote sensing. Advanced retrieval algorithms have been developed to obtain multiple geophysical parameters in the atmosphere–ocean system. Theoretical pixel-wise retrieval uncertainties based on error propagation have been used to quantify retrieval performance and determine the quality of data products. However, standard error propagation techniques in high-dimensional retrievals may not always represent true retrieval errors well due to issues such as local minima and the nonlinear dependence of the forward model on the retrieved parameters near the solution. In this work, we analyze these theoretical uncertainty estimates and validate them using a flexible Monte Carlo approach. The Fast Multi-Angular Polarimetric Ocean coLor (FastMAPOL) retrieval algorithm, based on efficient neural network forward models, is used to conduct the retrievals and uncertainty quantification on both synthetic HARP2 (Hyper-Angular Rainbow Polarimeter 2) and AirHARP (airborne version of HARP2) datasets. In addition, for practical application of the uncertainty evaluation technique in operational data processing, we use the automatic differentiation method to calculate derivatives analytically based on the neural network models. Both the speed and accuracy associated with uncertainty quantification for MAP retrievals are addressed in this study. Pixel-wise retrieval uncertainties are further evaluated for the real AirHARP field campaign data. The uncertainty quantification methods and results can be used to evaluate the quality of data products, as well as guide MAP algorithm development for current and future satellite systems such as NASA’s Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission.

PACE↗
DOE OSTI2025

Defect modeling in semiconductors: the role of first principles simulations and machine learning

Abstract Point defects in semiconductors dictate their electronic and optical properties. Vacancies, interstitials, substitutional defects, and defect complexes can form in the semiconductor lattice and significantly impact its performance in applications such as solar absorption, light emission, electronics, and catalysis. Understanding the nature and energetics of point defects is essential for the design and optimization of next-generation semiconductor technologies. Here, we provide a comprehensive overview of the current state of research on point defects in semiconductors, focusing on the application of density functional theory (DFT) and machine learning (ML) in accelerating the prediction and understanding of defect properties. DFT has been instrumental in accurately calculating defect formation energies, charge transition levels, and other defect-related properties such as carrier recombination rates and lifetimes, and ion migration barriers. ML techniques, particularly neural networks, have emerged as powerful tools for enabling rapid prediction of defect properties at DFT-accuracy in order to overcome the expense of using large supercells and advanced functionals. We begin this article with a discussion of different types of point defects and complexes, their impact on semiconductor properties, and the experimental and DFT approaches typically used for their characterization. Through multiple case studies, we explore how DFT has been successfully applied to understand defect behavior across a variety of semiconductors, and how ML approaches integrated with DFT can efficiently predict defect properties and facilitate the discovery of new materials with tailored defect behavior. Overall, the advent of ‘DFT+ML’ promises to drive advancements in semiconductor technology, catalysis, and renewable energy applications, paving the way for the development of high-performance semiconductors which are defect-tolerant or have desirable dopability.

Rahman, Md Habibur (ORCID:000000027705984X)↗
DOE OSTI2025

Predicting nonequilibrium Green’s function dynamics and photoemission spectra via nonlinear integral operator learning

Understanding the dynamics of nonequilibrium quantum many-body systems is an important research topic in a wide range of fields across condensed matter physics, quantum optics, and high-energy physics. However, numerical studies of large-scale nonequilibrium phenomena in realistic materials face serious challenges due to intrinsic high-dimensionality of quantum many-body problems and the absence of time-invariance. The nonequilibrium properties of many-body systems can be described by the dynamics of the correlator, or the Green's function of the system, whose time evolution is given by a high-dimensional system of integro-differential equations, known as the Kadanoff–Baym equations (KBEs). The time-convolution term in KBEs, which needs to be recalculated at each time step, makes it difficult to perform long-time numerical simulation. In this paper, we develop an operator-learning framework based on recurrent neural networks (RNNs) to address this challenge. We utilize RNNs to learn the nonlinear mapping between Green's functions and convolution integrals in KBEs. By using the learned operators as a surrogate model in the KBE solver, we obtain a general machine-learning scheme for predicting the dynamics of nonequilibrium Green's functions. Besides significant savings per each time step, the new methodology reduces the temporal computational complexity from $O(N_t^3)$ to $O(N_t)$ where N t is the number of steps taken in a simulation, thereby making it possible to study large many-body problems which are currently infeasible with conventional KBE solvers. Through various numerical examples, we demonstrate the effectiveness of the operator-learning based approach in providing accurate predictions of physical observables such as the reduced density matrix and time-resolved photoemission spectra. Moreover, our framework exhibits clear numerical convergence and can be easily parallelized, thereby facilitating many possible further developments and applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Hyperspectral Detection of the Fluorescence Shift between Chirality-Sorted Empty and Water-Filled Single-Wall Carbon Nanotube Enantiomers

Single-wall carbon nanotubes (SWCNTs) have extraordinary electronic and optical properties that depend strongly on their exact chiral structure and their interaction with their inner and outer environment. The fluorescence (PL) of semiconducting SWCNTs, for instance, will shift depending on the molecules with which the SWCNT’s hollow core is filled. These interaction-induced shifts are challenging to resolve on the ensemble level in samples containing a mixture of different filling contents due to the relatively large inhomogeneous line width of the ensemble SWCNT PL compared to the size of these shifts. To circumvent this inhomogeneous broadening, single-tube spectroscopy and hyperspectral imaging are often applied, which until now required time-consuming statistical studies. Here, we present hyperspectral PL microscopy combined with automated SWCNT segmenting based on either principal component analysis or a convolutional neural network, capable of both spatially and spectrally resolving the PL along the length of many individual SWCNTs at the same time and automatically fitting peak positions and line widths of individual SWCNTs. The methodology is demonstrated by accurately determining the emission shifts and line widths of thousands of left- and right-handed empty and water-filled SWCNTs coated with a chiral surfactant, resulting in four statistical distributions which cannot be resolved in ensemble spectroscopy of unsorted samples. The results demonstrate a robust method to quickly probe ensemble properties with single-enantiomer spectral resolution. Moreover, it promises to be an absolute quantitative method to characterize the relative abundances of SWCNTs with different handedness or filling content in macroscopic samples, simply by counting individual species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Attentional Ptycho-Tomography (APT) for three-dimensional nanoscale X-ray imaging with minimal data acquisition and computation time

Abstract Noninvasive X-ray imaging of nanoscale three-dimensional objects, such as integrated circuits (ICs), generally requires two types of scanning: ptychographic, which is translational and returns estimates of the complex electromagnetic field through the IC; combined with a tomographic scan, which collects these complex field projections from multiple angles. Here, we present Attentional Ptycho-Tomography (APT), an approach to drastically reduce the amount of angular scanning, and thus the total acquisition time. APT is machine learning-based, utilizing axial self-Attention for Ptycho-Tomographic reconstruction. APT is trained to obtain accurate reconstructions of the ICs, despite the incompleteness of the measurements. The training process includes regularizing priors in the form of typical patterns found in IC interiors, and the physics of X-ray propagation through the IC. We show that APT with ×12 reduced angles achieves fidelity comparable to the gold standard Simultaneous Algebraic Reconstruction Technique (SART) with the original set of angles. When using the same set of reduced angles, then APT also outperforms Filtered Back Projection (FBP), Simultaneous Iterative Reconstruction Technique (SIRT) and SART. The time needed to compute the reconstruction is also reduced, because the trained neural network is a forward operation, unlike the iterative nature of these alternatives. Our experiments show that, without loss in quality, for a 4.48 × 93.2 × 3.92 µm 3 IC (≃6 × 10 8 voxels), APT reduces the total data acquisition and computation time from 67.96 h to 38 min. We expect our physics-assisted and attention-utilizing machine learning framework to be applicable to other branches of nanoscale imaging, including materials science and biological imaging.

47 OTHER INSTRUMENTATION↗