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At least 145 records · Page 8

End-to-end orientation estimation from 2D cryo-EM1images

Cryo-electron microscopy (cryo-EM) is a Nobel Prize-winning technique for deter-mining high-resolution 3D structures of biological macromolecules. A 3D structure is reconstructed from hundreds of thousands of noisy 2D projection images. However, existing 3D reconstruction methods are still time-consuming, and one of the major computational bottlenecks is to recover the unknown orientation of the particle in16each 2D image. The dominant methods typically exploit expensive global search on each image to estimate the missing orientations. Here, a novel end-to-end supervised learning method is introduced to directly recover the missing orientations from 2D cryo-EM images. A neural network is used to approximate the mapping from images to orientations. Furthermore, a robust loss function is proposed for optimizing the parameters of the network, which can handle both asymmetric and symmetric 3D structures. Experiments on synthetic datasets with various symmetry types confirm that the neural network is capable of recovering orientations from 2D cryo-EM images, and the results on one real cryo-EM dataset further demonstrate its potential in more challenging imaging conditions.

3D reconstruction↗

Tensor-Dictionary Learning with Deep Kruskal-Factor Analysis

We introduce new dictionary learning methods for tensor-variate data of any order. We represent each data item as a sum of Kruskal decomposed dictionary atoms within the framework of beta-process factor analysis (BPFA). Our model is nonparametric and can infer the tensor-rank of each dictionary atom. This Kruskal-Factor Analysis (KFA) is a natural generalization of BPFA. We also extend KFA to a deep convolutional setting and develop online learning methods. We test our approach on image processing and classification tasks achieving state of the art results for 2D & 3D inpainting and Caltech 101. The experiments also show that atom-rank impacts both overcompleteness and sparsity.

Stevens, Andrew J.↗

Twin related domains in 3D microstructures of conventionally processed and grain boundary engineered materials

The concept of twin-limited microstructures has been explored in the literature as a crystallographically constrained grain boundary network connected via only coincident site lattice (CSL) boundaries. The advent of orientation imaging has made classification of twin-related domains (TRD) or any other orientation cluster experimentally accessible in 2D using EBSD. With the emergence of 3D orientation mapping, a comparison of TRDs in measured 3D microstructures is performed in this paper and compared against their 2D counterparts. The TRD analysis is performed on a conventionally processed (CP) and a grain boundary engineered (EM) high purity copper sample that have been subjected to successive anneal procedures to promote grain growth. Finally, the EM sample shows extremely large TRDs which begin to approach that of a twin-limited microstructure, while the TRDs in the CP sample remain relatively small and remote.

36 MATERIALS SCIENCE↗

Rapid sensing of hidden objects and defects using a single-pixel diffractive terahertz sensor

Abstract Terahertz waves offer advantages for nondestructive detection of hidden objects/defects in materials, as they can penetrate most optically-opaque materials. However, existing terahertz inspection systems face throughput and accuracy restrictions due to their limited imaging speed and resolution. Furthermore, machine-vision-based systems using large-pixel-count imaging encounter bottlenecks due to their data storage, transmission and processing requirements. Here, we report a diffractive sensor that rapidly detects hidden defects/objects within a 3D sample using a single-pixel terahertz detector, eliminating sample scanning or image formation/processing. Leveraging deep-learning-optimized diffractive layers, this diffractive sensor can all-optically probe the 3D structural information of samples by outputting a spectrum, directly indicating the presence/absence of hidden structures or defects. We experimentally validated this framework using a single-pixel terahertz time-domain spectroscopy set-up and 3D-printed diffractive layers, successfully detecting unknown hidden defects inside silicon samples. This technique is valuable for applications including security screening, biomedical sensing and industrial quality control.

Li, Jingxi (ORCID:0000000165958680)↗

Simultaneous 3D–2D image registration and C-arm calibration: Application to endovascular image-guided interventions

Purpose: Three-dimensional to two-dimensional (3D–2D) image registration is a key to fusion and simultaneous visualization of valuable information contained in 3D pre-interventional and 2D intra-interventional images with the final goal of image guidance of a procedure. In this paper, the authors focus on 3D–2D image registration within the context of intracranial endovascular image-guided interventions (EIGIs), where the 3D and 2D images are generally acquired with the same C-arm system. The accuracy and robustness of any 3D–2D registration method, to be used in a clinical setting, is influenced by (1) the method itself, (2) uncertainty of initial pose of the 3D image from which registration starts, (3) uncertainty of C-arm’s geometry and pose, and (4) the number of 2D intra-interventional images used for registration, which is generally one and at most two. The study of these influences requires rigorous and objective validation of any 3D–2D registration method against a highly accurate reference or “gold standard” registration, performed on clinical image datasets acquired in the context of the intervention. Methods: The registration process is split into two sequential, i.e., initial and final, registration stages. The initial stage is either machine-based or template matching. The latter aims to reduce possibly large in-plane translation errors by matching a projection of the 3D vessel model and 2D image. In the final registration stage, four state-of-the-art intrinsic image-based 3D–2D registration methods, which involve simultaneous refinement of rigid-body and C-arm parameters, are evaluated. For objective validation, the authors acquired an image database of 15 patients undergoing cerebral EIGI, for which accurate gold standard registrations were established by fiducial marker coregistration. Results: Based on target registration error, the obtained success rates of 3D to a single 2D image registration after initial machine-based and template matching and final registration involving C-arm calibration were 36%, 73%, and 93%, respectively, while registration accuracy of 0.59 mm was the best after final registration. By compensating in-plane translation errors by initial template matching, the success rates achieved after the final stage improved consistently for all methods, especially if C-arm calibration was performed simultaneously with the 3D–2D image registration. Conclusions: Because the tested methods perform simultaneous C-arm calibration and 3D–2D registration based solely on anatomical information, they have a high potential for automation and thus for an immediate integration into current interventional workflow. One of the authors’ main contributions is also comprehensive and representative validation performed under realistic conditions as encountered during cerebral EIGI.

60 APPLIED LIFE SCIENCES↗

Nanoscale x-ray and electron tomography

We present that three-dimensional (3D) tomographic imaging of the structural, chemical, and physical properties of a material provides key knowledge that links the structure of a material to both its processing and structure that is central to studies across a broad spectrum of materials. For many decades, tomography using x-rays or electrons has proven to be an essential 3D characterization tool. In recent years, advances in technology have significantly pushed the envelope of these techniques in many respects, enabling new imaging capabilities at the nanometer and atomic scale. This article highlights several such developments in nanoscale x-ray and electron tomography. The five articles that appear in this issue of MRS Bulletin discuss research frontiers that include multimodal x-ray tomography at the nanoscale, x-ray spectroscopic tomography, dark-field x-ray microscopy, electron nanotomography for functional nanomaterials, and atomistic imaging by electron tomography. Lastly, these articles give a holistic view of the status of these techniques and promising future directions, as well highlighting their applications for scientific problems.

36 MATERIALS SCIENCE↗

Quantifying the unknown impact of segmentation uncertainty on image-based simulations

Abstract Image-based simulation, the use of 3D images to calculate physical quantities, relies on image segmentation for geometry creation. However, this process introduces image segmentation uncertainty because different segmentation tools (both manual and machine-learning-based) will each produce a unique and valid segmentation. First, we demonstrate that these variations propagate into the physics simulations, compromising the resulting physics quantities. Second, we propose a general framework for rapidly quantifying segmentation uncertainty. Through the creation and sampling of segmentation uncertainty probability maps, we systematically and objectively create uncertainty distributions of the physics quantities. We show that physics quantity uncertainty distributions can follow a Normal distribution, but, in more complicated physics simulations, the resulting uncertainty distribution can be surprisingly nontrivial. We establish that bounding segmentation uncertainty can fail in these nontrivial situations. While our work does not eliminate segmentation uncertainty, it improves simulation credibility by making visible the previously unrecognized segmentation uncertainty plaguing image-based simulation.

42 ENGINEERING↗

Multiscale dynamics of charging and plating in graphite electrodes coupling operando microscopy and phase-field modelling

The phase separation dynamics in graphitic anodes significantly affects lithium plating propensity, which is the major degradation mechanism that impairs the safety and fast charge capabilities of automotive lithium-ion batteries. In this study, we present comprehensive investigation employing operando high-resolution optical microscopy combined with non-equilibrium thermodynamics implemented in a multi-dimensional (1D+1D to 3D) phase-field modeling framework to reveal the rate-dependent spatial dynamics of phase separation and plating in graphite electrodes. Here we visualize and provide mechanistic understanding of the multistage phase separation, plating, inter/intra-particle lithium exchange and plated lithium back-intercalation phenomena. A strong dependence of intra-particle lithiation heterogeneity on the particle size, shape, orientation, surface condition and C-rate at the particle level is observed, which leads to early onset of plating spatially resolved by a 3D image-based phase-field model. Moreover, we highlight the distinct relaxation processes at different state-of-charges (SOCs), wherein thermodynamically unstable graphite particles undergo a drastic intra-particle lithium redistribution and inter-particle lithium exchange at intermediate SOCs, whereas the electrode equilibrates much slower at low and high SOCs. These physics-based insights into the distinct SOC-dependent relaxation efficiency provide new perspective towards developing advanced fast charge protocols to suppress plating and shorten the constant voltage regime.

25 ENERGY STORAGE↗

Controlling Subsurface Fractures and Fluid Flow: A Basic Research Agenda

From beneath the surface of the earth, we currently obtain about 80-percent of the energy our nation consumes each year. In the future we have the potential to generate billions of watts of electrical power from clean, green, geothermal energy sources. Our planet’s subsurface can also serve as a reservoir for storing energy produced from intermittent sources such as wind and solar, and it could provide safe, long-term storage of excess carbon dioxide, energy waste products and other hazardous materials. However, it is impossible to underestimate the complexities of the subsurface world. These complexities challenge our ability to acquire the scientific knowledge needed for the efficient and safe exploitation of its resources. To more effectively harness subsurface resources while mitigating the impacts of developing and using these resources, the U.S. Department of Energy established SubTER – the Subsurface Technology and Engineering RD&D Crosscut team. This DOE multi-office team engaged scientists and engineers from the national laboratories to assess and make recommendations for improving energy-related subsurface engineering. The SubTER team produced a plan with the overall objective of “adaptive control of subsurface fractures and fluid flow.”This plan revolved around four core technological pillars—Intelligent Wellbore Systems that sustain the integrity of the wellbore environment; Subsurface Stress and Induced Seismicity programs that guide and optimize sustainable energy strategies while reducing the risks associated with subsurface injections; Permeability Manipulation studies that improve methods of enhancing, impeding and eliminating fluid flow; and New Subsurface Signals that transform our ability to see into and characterize subsurface systems. The SubTER team developed an extensive R&D plan for advancing technologies within these four core pillars and also identified several areas where new technologies would require additional basic research. In response, the Office of Science, through its Office of Basic Energy Science (BES), convened a roundtable consisting of 15 national lab, university and industry geoscience experts to brainstorm basic research areas that underpin the SubTER goals but are currently underrepresented in the BES research portfolio. Held in Germantown, Maryland on May 22, 2015, the round-table participants developed a basic research agenda that is detailed in this report. Highlights include the following: -A grand challenge calling for advanced imaging of stress and geological processes to help understand how stresses and chemical substances are distributed in the subsurface—knowledge that is critical to all aspects of subsurface engineering; -A priority research direction aimed at achieving control of fluid flow through fractured media; -A priority research direction aimed at better understanding how mechanical and geochemical perturbations to subsurface rock systems are coupled through fluid and mineral interactions; -A priority research direction aimed at studying the structure, permeability, reactivity and other properties of nanoporous rocks, like shale, which have become critical energy materials and exhibit important hallmarks of mesoscale materials; -A cross-cutting theme that would accelerate development of advanced computational methods to describe heterogeneous time-dependent geologic systems that could, among other potential benefits, provide new and vastly improved models of hydraulic fracturing and its environmental impacts; -A cross-cutting theme that would lead to the creation of “geo-architected materials” with controlled repeatable heterogeneity and structure that can be tested under a variety of thermal, hydraulic, chemical and mechanical conditions relevant to subsurface systems; -A cross-cutting theme calling for new laboratory studies on both natural and geo-architected subsurface materials that deploy advanced high-resolution 3D imaging and chemical analysis methods to determine the ;rates and mechanisms of fluid-rock processes, and to test predictive models of such phenomena. Many of the key energy challenges of the future demand a greater understanding of the subsurface world in all of its complexity. This greater under- standing will improve the ability to control and manipulate the subsurface world in ways that will benefit both the economy and the environment. This report provides specific basic research pathways to address some of the most fundamental issues of energy-related subsurface engineering.

15 GEOTHERMAL ENERGY↗

Real Space and Time Imaging of Collective Headgroup Dipole Motions in Zwitterionic Lipid Bilayers

Lipid bilayers are supramolecular structures responsible for a range of processes, such as transmembrane transport of ions and solutes, and sorting and replication of genetic materials, to name just a few. Some of these processes are transient and currently, cannot be visualized in real space and time. Here, we developed an approach using 1D, 2D, and 3D Van Hove correlation functions to image collective headgroup dipole motions in zwitterionic phospholipid bilayers. We show that both 2D and 3D spatiotemporal images of headgroup dipoles are consistent with commonly understood dynamic features of fluids. However, analysis of the 1D Van Hove function reveals lateral transient and re-emergent collective dynamics of the headgroup dipoles—occurring at picosecond time scales—that transmit and dissipate heat at longer times, due to relaxation processes. At the same time, the headgroup dipoles also generate membrane surface undulations due a collective tilting of the headgroup dipoles. A continuous intensity band of headgroup dipole spatiotemporal correlations—at nanometer length and nanosecond time scales—indicates that dipoles undergo stretching and squeezing elastic deformations. Importantly, the above mentioned intrinsic headgroup dipole motions can be externally stimulated at GHz-frequency scale, enhancing their flexoelectric and piezoelectric capabilities (i.e., increased conversion efficiency of mechanical energy into electric energy). In conclusion, we discuss how lipid membranes can provide molecular-level insights about biological learning and memory, and as platforms for the development of the next generation of neuromorphic computers.

59 BASIC BIOLOGICAL SCIENCES↗

WE-D-BRA-05: Pseudo In Vivo Patient Dosimetry Using a 3D-Printed Patient-Specific Phantom

Purpose: To test the feasibility of using 3D-printed patient-specific phantoms for intensity-modulated radiation therapy (IMRT) quality assurance (QA). Methods: We created a patient-specific whole-head phantom using a 3D printer. The printer data file was created from high-resolution DICOM computed tomography (CT) images of 3-year old child treated at our institution for medulloblastoma. A custom-modified extruder system was used to create tissue-equivalent materials. For the printing process, the Hounsfield Units from the CT images were converted to proportional volumetric densities. A 5-field IMRT plan was created from the patient CT and delivered to the 3D- phantom. Dose was measured by an ion chamber placed through the eye. The ion chamber was placed at the posterior edge of the planning target volume in a high dose gradient region. CT scans of the patient and 3D-phantom were fused by using commercial treatment planning software (TPS). The patient’s plan was calculated on the phantom CT images. The ion chamber’s active volume was delineated in the TPS; dose per field and total dose were obtained. Measured and calculated doses were compared. Results: The 3D-phantom dimensions and tissue densities were in good agreement with the patient. However, because of a printing error, there was a large discrepancy in the density in the frontal cortex. The calculated and measured treatment plan doses were 1.74 Gy and 1.72 Gy, respectively. For individual fields, the absolute dose difference between measured and calculated values was on average 3.50%. Conclusion: This study demonstrated the feasibility of using 3D-printed patient-specific phantoms for IMRT QA. Such phantoms would be particularly advantageous for complex IMRT treatment plans featuring high dose gradients and/or for anatomical sites with high variation in tissue densities. Our preliminary findings are promising. We anticipate that, once the printing process is further refined, the agreement between measured and calculated doses will improve.

60 APPLIED LIFE SCIENCES↗

Subdiffraction-resolution live-cell imaging for visualizing thylakoid membranes

© 2018 The Authors The Plant Journal © 2018 John Wiley & Sons Ltd The chloroplast is the chlorophyll-containing organelle that produces energy through photosynthesis. Within the chloroplast is an intricate network of thylakoid membranes containing photosynthetic membrane proteins that mediate electron transport and generate chemical energy. Historically, electron microscopy (EM) has been a powerful tool for visualizing the macromolecular structure and organization of thylakoid membranes. However, an understanding of thylakoid membrane dynamics remains elusive because EM requires fixation and sectioning. To improve our knowledge of thylakoid membrane dynamics we need to consider at least two issues: (i) the live-cell imaging conditions needed to visualize active processes in vivo; and (ii) the spatial resolution required to differentiate the characteristics of thylakoid membranes. Here, we utilize three-dimensional structured illumination microscopy (3D-SIM) to explore the optimal imaging conditions for investigating the dynamics of thylakoid membranes in living plant and algal cells. We show that 3D-SIM is capable of examining broad characteristics of thylakoid structures in chloroplasts of the vascular plant Arabidopsis thaliana and distinguishing the structural differences between wild-type and mutant strains. Using 3D-SIM, we also visualize thylakoid organization in whole cells of the green alga Chlamydomonas reinhardtii. These data reveal that high light intensity changes thylakoid membrane structure in C. reinhardtii. Moreover, we observed the green alga Chromochloris zofingiensis and the moss Physcomitrella patens to show the applicability of 3D-SIM. This study demonstrates that 3D-SIM is a promising approach for studying the dynamics of thylakoid membranes in photoautotrophic organisms during photoacclimation processes.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Thermal tomography 3D imaging of additively manufactured metallic structures

Thermal tomography is a computational method for heat diffusion-based imaging of solids, which provides 3D visualization of data from flash thermography measurements. We investigate thermal tomography imaging and nondestructive evaluation of stainless steel and nickel super alloy metallic structures produced with the laser powder bed fusion (LPBF) additive manufacturing (AM) process. Metallic structures produced with LPBF contain defects, and there are limited capabilities to evaluate these structures non-destructively. Thermal tomography reconstruction of 3D apparent spatial effusivity provides information about AM structure geometry and internal material flaws. We study performance of thermal tomography in imaging of metallic structures through COMSOL computer simulations of transient heat transfer and through reconstruction of data obtained from experimental measurements. Thermal tomography reconstructions of structure shape and dimensions are shown for the Inconel 718 AM structure which has variations in the horizontal plane but is uniform along the depth dimension. Reconstruction of internal defects is investigated using a stainless steel 316L specimen with flat bottom hole (FBH) indentations, and the Inconel 718 plate is produced with the LPBF method, which contains imprinted hemispherical shape low density regions containing non-sintered metallic powder. The FBHs have the same sizes as the imprinted defects in the LPBF specimens but offer better imaging contrast. Thermal tomography reconstructions provide visualizations of internal defects and allow for estimation of their sizes and locations. Results of this study demonstrate that thermal tomography can be used for visualization and quality control in AM.

36 MATERIALS SCIENCE↗

Parallel Optical Flow Processing of 4D Cardiac CT Data on Multicore Clusters, In: 2014 IEEE 17th International Conference on Computational Science and Engineering

Optical flow is the distribution of apparent velocities of movement of brightness patterns in a sequence of images. For large 3D image sequences, optical flow applications are time consuming and memory-bound. To cope with these problems, in this paper, we present parallel optical flow processing of 4D cardiac CT data on multicore cluster systems to significantly shorten the time for computing velocity fields of the heart in order to aid cardiologists in diagnosing heart disease such as myocardial infarction and cardiac dysrhythmia in time. First, we modify and extend two traditional 2D optical flow methods Horn-Schunck and Lucas-Kanade to three-dimensional cases to process the 4D cardiac CT data. Second, we extend Mat lab MPI to support parallel computing with Mat lab and Octave on these cluster systems. Then we develop the parallel Mat lab/Octave optical flow applications for the 4D cardiac CT data in detail. Our experimental results show that these parallel optical flow applications have good scalability with close to linear speedup, and are able to shorten the image processing time significantly from more than 5 hours on 4 cores to 1.5 minutes on 1024 cores.

Engineering↗

Using multimodal X-ray computed tomography to advance 3D petrography: A non-destructive investigation of olivine inside a carbonaceous chondrite

Rocks form in three dimensions through time and studying them provides information from inside dynamic systems we cannot otherwise observe. Yet how we typically access the interior of the rocks themselves to gain that information may limit our understanding and influence how we reconstruct the processes that formed them. Here, we demonstrate combined non-destructive 3D X-ray imaging techniques that produce quantitative densitometric and crystallographic maps of entire individual grains inside a rock. Olivine grains throughout a sample of the carbonaceous chondrite Northwest Africa (NWA) 11346 were each characterized by size, shape, composition, zoning intensity, and crystallographic orientation. The addition of 3D crystallographic mapping to calibrated 3D densitometric analysis—used to calculate chemical composition—demonstrates a fully non-destructive petrographic method and provides unique insight. For instance, in our case, using crystallographic data to delineate individual grains and then measuring the 3D size, shape, and composition of each distinguishes variably reset relict grains from those later crystallized after a melting event. Intersection in a 2D slice could not have led to this interpretation because the integration of three-dimensional size, rounding, composition, location, and crystallographic orientation measured from each grain forms the key patterns. Multimodal laboratory X-ray imaging has strong potential to advance 3D petrography.

36 MATERIALS SCIENCE↗

Digital Rock Physics and 3D Printing for Fractured Porous Media

Imaging techniques for the analysis of porous structures have revolutionized our ability to quantitatively characterize geomaterials. Digital representations of rock from CT images and physics modeling based on these pore structures provide the opportunity to further advance our quantitative understanding of fluid flow, geomechanics, and geochemistry, and the emergence of coupled behaviors. Additive manufacturing, commonly known as 3D printing, has revolutionized production of custom parts with complex internal geometries. For the geosciences, recent advances in 3D printing technology may be co-opted to print reproducible porous structures derived from CT-imaging of actual rocks for experimental testing. The use of 3D printed microstructure allows us to surmount typical problems associated with sample-to-sample heterogeneity that plague rock physics testing and to test material response independent from pore-structure variability. Together, imaging, digital rocks and 3D printing potentially enables a new workflow for understanding coupled geophysical processes in a real, but well-defined setting circumventing typical issues associated with reproducibility, enabling full characterization and thus connection of physical phenomena to structure. Here we report on our research exploring the possibilities that these technologies can bring to geosciences for coupled multiscale experimental and numerical analysis using 3D printed fractured rock specimens.

42 ENGINEERING↗

Review of Selected Advances in Electrical Capacitance Volume Tomography for Multiphase Flow Monitoring

Electrical Capacitance Volume Tomography (ECVT) has emerged as an attractive technology for addressing instrumentation requirements in various energy-related multiphase flow systems. ECVT can monitor multiple flow conditions and reconstruct real-time 3D images from capacitance measurements using a large set of electrode plates placed around the processes column enclosing the sensed flow system. ECVT is non-intrusive and allows the measurement of changes in mutual capacitance between all possible plate pair combinations. The objective of this paper is to provide a comprehensive review of recent advances in ECVT, enabling robust monitoring of multiphase flows, especially water-containing multiphase flows.

02 PETROLEUM↗