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At least 955 records · Page 53

Electron Microscopy Studies of Soft Nanomaterials

This review highlights recent efforts on applying electron microscopy (EM) to soft (including biological) nanomaterials. We will show how developments of both the hardware and software of EM have enabled new insights into the formation, assembly, and functioning (e.g., energy conversion and storage, phonon/photon modulation) of these materials by providing shape, size, phase, structural, and chemical information at the nanometer or higher spatial resolution. Specifically, we first discuss standard real-space two-dimensional imaging and analytical techniques which are offered conveniently by microscopes without special holders or advanced beam technology. The discussion is then extended to recent advancements, including visualizing three-dimensional morphology of soft nanomaterials using electron tomography and its variations, identifying local structure and strain by electron diffraction, and recording motions and transformation by in situ EM. On these advancements, we cover state-of-the-art technologies designed for overcoming the technical barriers for EM to characterize soft materials as well as representative application examples. Here, the even more recent integration of machine learning and its impacts on EM are also discussed in detail. With our perspectives of future opportunities offered at the end, we expect this review to inspire and stimulate more efforts in developing and utilizing EM-based characterization methods for soft nanomaterials at the atomic to nanometer length scales in academic research and industrial applications.

Imaging↗

Pixel multiplexing technique for real-time three-dimensional-imaging laser detection and ranging system using four linear-mode avalanche photodiodes

The avalanche-photodiode-array (APD-array) laser detection and ranging (LADAR) system has been continually developed owing to its superiority of nonscanning, large field of view, high sensitivity, and high precision. However, how to achieve higher-efficient detection and better integration of the LADAR system for real-time three-dimensional (3D) imaging continues to be a problem. In this study, a novel LADAR system using four linear mode APDs (LmAPDs) is developed for high-efficient detection by adopting a modulation and multiplexing technique. Furthermore, an automatic control system for the array LADAR system is proposed and designed by applying the virtual instrumentation technique. The control system aims to achieve four functions: synchronization of laser emission and rotating platform, multi-channel synchronous data acquisition, real-time Ethernet upper monitoring, and real-time signal processing and 3D visualization. The structure and principle of the complete system are described in the paper. The experimental results demonstrate that the LADAR system is capable of achieving real-time 3D imaging on an omnidirectional rotating platform under the control of the virtual instrumentation system. The automatic imaging LADAR system utilized only 4 LmAPDs to achieve 256-pixel-per-frame detection with by employing 64-bit demodulator. Moreover, the lateral resolution is ∼15 cm and range accuracy is ∼4 cm root-mean-square error at a distance of ∼40 m.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

PyLRO: A Python calculator for analyzing long-range structural order

We present PyLRO, an open-source Python calculator designed to detect, quantify, and display long-range order in periodic structures. The program’s design methodology, workflow, and approach to order quantification are described and demonstrated using a simple toy model. Additionally, we apply PyLRO to a series of metastable AlPO 4 structural intermediates from a prior high-pressure study, demonstrating how to compute and visualize structural order in all directions on a Miller sphere. We further highlight the program’s capabilities through a high-throughput analysis of structural patterns in the pressure-induced amorphization of AlPO 4 , revealing atomistic insights into specific energy regions of massive amorphous structures. These results suggest that PyLRO can be a valuable tool for investigating crystal–amorphous transition in materials research.

36 MATERIALS SCIENCE↗

BLDAP Intro to Python/Data Science Curriculum v1

The Github repository contains the Jupyter notebooks for the intro to Python / Data Science course for Berkeley Lab Director's Apprenticeship Program (BLDAP). This course is designed for students with little to no experience in coding to learn skills in Python necessary for data science. Students utilize Jupyter notebooks throughout the course. The overall goal is for students to learn how to use Python to clean, analyze, and visualize large data sets in order to communicate effectively their conclusions about the data set. Students apply the skills they learned on actual data sets provided by researchers in Berkeley Lab.

Hales, Laurel [Lawrence Berkeley National Laborato↗

SIMPA

SIMPA (Spatially Integrated Multivariate Probabilistic Assessment) is a Python-based fuzzy logic tool designed to help assess the likelihood of fluid and/or gas migration pathways throughout the subsurface. The SIMPA tool helps users develop and apply fuzzy logic to various datasets to construct knowledge-based inferential rules that reduce uncertainty and results in a visual representation depicting the likelihood of potential fluid and/or gas migration pathways. SIMPA results can offers an understanding of the magnitude and extent of natural and anthropogenic subsurface pathways, offering insight to subsurface hazards to improve storage assessments and critical information for improving industry decisions related to the use of various CCS methods and technologies. In addition, SIMPA can offer new insights for areas with little to no data to help inform site selection and production, evaluate potential risks and hazards, and support various decision making and risk management needs.

carbon storage↗

Robotic arm development platform

A robotic arm development platform will provide the tools for SRNL to increase its competency in this area and allow customer demonstrations to be performed so they can visualize how the technology relates to their application. The objective is to set up an adaptable development platform that can easily be re-configured for a variety of demonstrations for collecting data that will help engage the customer. Collaborative robots are designed with built in features allowing them to safely operate alongside employees.

42 ENGINEERING↗

Distributed Resources for the Earth System Grid Advanced Management (DREAM)

The DREAM project was funded more than 3 years ago to design and implement a next-generation ESGF (Earth System Grid Federation) architecture which would be suitable for managing and accessing data and services resources on a distributed and scalable environment. In particular, the project intended to focus on the computing and visualization capabilities of the stack, which at the time were rather primitive. At the beginning, the team had the general notion that a better ESGF architecture could be built by modularizing each component, and redefining its interaction with other components by defining and exposing a well defined API. Although this was still the high level principle that guided the work, the DREAM project was able to accomplish its goals by leveraging new practices in IT that started just about 3 or 4 years ago: the advent of containerization technologies (specifically, Docker), the development of frameworks to manage containers at scale (Docker Swarm and Kubernetes), and their application to the commercial Cloud. Thanks to these new technologies, DREAM was able to improve the ESGF architecture (including its computing and visualization services) to a level of deployability and scalability beyond the original expectations. Overall, during its three-year lifespan, DREAM has undertaken innovative research work and prototyping: many of its solutions (the new containerized architecture, the Visus visualization engine, the Solr Cloud based search service) were handed over to the ESGF collaboration, which will make them operational and use them as their future software basis.

42 ENGINEERING↗

The Impact of Specificity on Human Interpretations of State Uncertainty

The goal of this project was test how different representations of state uncertainty impact human decision making. Across a series of experiments, we sought to answer fundamental questions about human cognitive biases and how they are impacted by visual and numerical information. The results of these experiments identify problems and pitfalls to avoid when for presenting algorithmic outputs that include state uncertainty to human decision makers. Our findings also point to important areas for future research that will enable system designers to minimize biases in human interpretation for the outputs of artificial intelligence, machine learning, and other advanced analytic systems.

97 MATHEMATICS AND COMPUTING↗

Mirostructure Characterization of Friction Consolidated Copper-Nickel using a Machine Learning Approach: Developing Process to Microstructure Associations

Friction consolidation (FC) is a solid phase processing approach where discrete material forms such as powders, chips, nuggets, etc. are densified via shear deformation. The precursors are placed in a billet container and brought in contact with a rotating tool that applying the desirable amount of normal force. Under the combined action of the rotation and normal pressure, the discrete precursor is consolidated through porosity reduction and shear deformation. FC is increasingly being studied as an attractive approach to manufacturing fully dense parts from powder forms owing to its ability to mix, alloy and consolidate difficult-to-process precursors in minimal number of process steps. Material consolidation and deformation in shear consolidation processes have been studied extensively previously for different material combinations previously. However, despite the extensive research in this area, understanding of the mechanistic processes in pore consolidation, deformation-induced mixing and material solubility during FC is still evolving. Material development using solid phase processing approaches such as FC is often performed based on research experience/education, which can be biased. Conventional analysis and simulation tools in this area tend to be successful only when material thermodynamic pathways and microstructural evolution sequences resulting from processing are clearly defined or known. They are not as effective for emerging advanced manufacturing technologies where material evolution pathways are not well established. The ability to predict optimal process parameters based on material chemistry and bulk properties is essential to accelerate materials design and processing, as are an understanding of the relevant structure-processing-property relationships. These structure-processing-property-performance relationships are at the core of materials science research. Microstructure characterization provides the link to these four core areas, often through visualizing material microstructure using imaging techniques. However, linking microstructure image data (i.e., micrographs) to variables of interest (e.g., processing parameters, material chemistry) in a reproducible, generalizable, and quantitative manner is a significant challenge. Typically, quantitatively linking image data to processing history relies on significant domain knowledge and manual or subject matter expert (SME)-heuristic based image analysis. Such an approach to image analysis has the potential to be biased, inefficient, and difficult to replicate.

36 MATERIALS SCIENCE↗

Situ

Rapidly discovering novel and sophisticated cyber attacks and providing situation aware-ness to analysts are unsolved problems in cyber security. We have developed a platform that scores events in real-time based on probabilistic models to define how typical an event is. This anomaly detection approach is based on unsupervised, probabilistic modeling of data at multiple scales. Scoring events based on multiple scales allows the system to 1) score anomalousness at different levels to detect important events that would otherwise be hidden, and 2) explain to users why an event is anomalous, not just that it is. The system was designed to address several challenges: 1) scaling to very high volume, heterogeneous, streaming data, and 2) minimizing the time from observation to discovery to understanding. The prototype has the real-time framework for pushing scored events to a web-based visualization.

Source record↗

Enabling the broader adoption of fusion simulation on complex geometry

This project addressed a key barrier to advanced fusion and nuclear simulation: the difficulty of performing high-fidelity Monte Carlo neutronics directly on complex, real-world CAD geometry. Traditional workflows require engineers to rebuild CAD models as simplified constructive solid geometry, a time-consuming and error-prone process that limits design iteration and broader adoption of simulation tools. The goal of this Phase I SBIR was to make CAD-based neutronics practical, accessible, and robust for industrial and research users. During the project, Coreform significantly enhanced the Direct Accelerated Geometry Monte Carlo (DAGMC) workflow and fully integrated it into Coreform Cubit as a first-class capability. Major achievements include optimized material assignment and surface meshing workflows, substantial performance improvements to geometry imprinting and preparation, native export of DAGMC models, and new visualization tools to support OpenMC source definition and lost-particle debugging. Coreform also expanded Cubit’s capabilities as a full OpenMC preprocessor, including the ability to convert OpenMC constructive solid geometry models back into CAD for visualization, multiphysics coupling, and debugging. In collaboration with Argonne National Laboratory, the project delivered comprehensive new DAGMC documentation and training materials, transforming DAGMC from a research-oriented tool into a production-ready workflow. Results were disseminated through tutorials, conference training, and multiple well-attended webinars demonstrating integrated CAD-based neutronics and multiphysics workflows. Overall, this project demonstrated that high-fidelity Monte Carlo simulations can be performed directly on complex CAD geometry, reducing setup time, improving usability, and enabling faster, more informed design decisions for fusion and nuclear energy systems.

42 ENGINEERING↗

Applying User Centered Design to Research Work

The SuperIdentity (SID) research project is a collaboration between six universities in the UK (Bath, Dundee, Kent, Leicester, Oxford, and Southampton) and the Pacific Northwest National Laboratory (PNNL). SID offers an innovative and exciting new approach to the concept of identity. The assumption underlying our hypothesis is that while there may be many dimensions to an identity - some more stable than others - all should ultimately reference back to a single core identity or a 'SuperIdentity.' The obvious consequence is that identification is improved by the combination of measures. Our work at PNNL has focused on the developing use cases to use in developing a model of identity and in developing visualizations for both researchers to explore the model and in the future for end users to use in determining various paths that may be possible to obtain various identity attributes from a set that is already known.

identity attributes↗

A combined static-dynamic single-dose imaging protocol to compare quantitative dynamic SPECT with static conventional SPECT

Background: SPECT myocardial perfusion imaging (MPI) is a clinical mainstay that is typically performed with static imaging protocols and visually or semi-quantitatively assessed for perfusion defects based upon the relative intensity of myocardial regions. Dynamic cardiac SPECT presents a new imaging technique based on time-varying information of radiotracer distribution, which permits the evaluation of regional myocardial blood flow (MBF) and coronary flow reserve (CFR). In this work, a preliminary feasibility study was conducted in a small patient sample designed to implement a unique combined static-dynamic single-dose one-day visit imaging protocol to compare quantitative dynamic SPECT with static conventional SPECT for improving the diagnosis of coronary artery disease (CAD). Methods: Fifteen patients (11 males, four females, mean age 71 ± 9 years) were enrolled for a combined dynamic and static SPECT (Infinia Hawkeye 4, GE Healthcare) imaging protocol with a single dose of {sup 99m}Tc-tetrofosmin administered at rest and a single dose administered at stress in a one-day visit. Out of 15 patients, eleven had selective coronary angiography (SCA), 8 within 6 months and the rest within 24 months of SPECT imaging, without intervening symptoms or interventions. The extent and severity of perfusion defects in each myocardial region was graded visually. Dynamically acquired data were also used to estimate the MBF and CFR. Both visually graded images and estimated CFR were tested against SCA as a reference to evaluate the validity of the methods. Results: Overall, conventional static SPECT was normal in ten patients and abnormal in five patients, dynamic SPECT was normal in 12 patients and abnormal in three patients, and CFR from dynamic SPECT was normal in nine patients and abnormal in six patients. Among those 11 patients with SCA, conventional SPECT was normal in 5, 3 with documented CAD on SCA with an overall accuracy of 64%, sensitivity of 40% and specificity of 83%. Dynamic SPECT image analysis also produced a similar accuracy, sensitivity, and specificity. CFR was normal in 6, each with CAD on SCA with an overall accuracy of 91%, sensitivity of 80%, and specificity of 100%. The mean CFR was significantly lower for SCA detected abnormal than for normal patients (3.86±1.06 vs 1.94±0. 0.67, P < 0.001). Conclusions: The visually assessed image findings in static and dynamic SPECT are subjective, and may not reflect direct physiologic measures of coronary lesion based on SCA. The CFR measured with dynamic SPECT is fully objective, with better sensitivity and specificity, available only with the data generated from the dynamic SPECT method.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Hydra: An AI-Based Framework for Interpretable and Portable Data Quality Monitoring

Hydra is an advanced framework designed for training and managing AI models for near real time data quality monitoring at Jefferson Lab. Deployed in all four experimental halls, Hydra has analyzed over 2 million images and has extended its capabilities to offline monitoring and validation. Hydra utilizes computer vision to continually analyze sets of images of monitoring plots generated 24/7 during experiments. Generally, these sets of images are produced at a rate and quantity that is exceedingly difficult for shift crews to effectively monitor. Significant effort has been devoted to enhancing Hydra’s user interface, to ensure that it provides clear, actionable insights for shift workers and other users. Gradient Weighted Class Activation Maps (GradCAM) provide added interpretability, allowing users to visualize important regions of the image for classification. Hydra has been containerized to enable the creation of portable demos and seamless integration with container-based technologies such as Kubernetes and Docker. With the user interface enhancements and containerization, Hydra can be rapidly deployed for new use cases and experiments. This talk will describe the Hydra framework, its user interface and experience, and the challenges inherent in its design and deployment.

Britton, Thomas [Thomas Jefferson National Acceler↗

Single-faced GRAYQB™: a radiation mapping device

GrayQb{trademark} is a novel technology that has the potential to characterize radioactively contaminated areas such as hot cells, gloveboxes, small and large rooms, hallways, and waste tanks. The goal of GrayQb{trademark} is to speed the process of decontaminating these areas, which reduces worker exposures and promotes ALARA considerations. The device employs Phosphorous Storage Plate (PSP) technology as its primary detector material. PSPs, commonly used for medical applications and non-destructive testing, can be read using a commercially available scanner. The goal of GrayQb{trademark} technology is to locate, quantify, and identify the sources of contamination. The purpose of the work documented in this report was to better characterize the performance of GrayQb{trademark} in its ability to present overlay images of the PSP image and the associated visual image of the location being surveyed. The results presented in this report are overlay images identifying the location of hot spots in both controlled and field environments. The GrayQb{trademark} technology has been mainly tested in a controlled environment with known distances and source characteristics such as specific known radionuclides, dose rates, and strength. The original concept for the GrayQb{trademark} device involved utilizing the six faces of a cube configuration and was designed to be positioned in the center of a contaminated area for 3D mapping. A smaller single-faced GrayQb{trademark}, dubbed GrayQb SF, was designed for the purpose of conducting the characterization testing documented in this report. This lighter 2D version is ideal for applications where entry ports are too small for a deployment of the original GrayQb™ version or where only a single surface is of interest. The shape, size, and weight of these two designs have been carefully modeled to account for most limitations encountered in hot cells, gloveboxes, and contaminated areas. GrayQb{trademark} and GrayQb{trademark} SF share the same fundamental detection system design (e.g., pinhole and PSPs). Therefore, performance tests completed on the single face GrayQB in this report is also applicable to the six- faced GrayQB (e.g., ambient light sensitivity and PSP response). This report details the characterization of the GrayQb{trademark} SF in both an uncontrolled environment; specifically, the Savannah River Site (SRS) Plutonium Fuel Form Facility in Building 235-F (Metallurgical Building) and controlled testing at SRS’s Health Physics Instrument Calibration Facility and SRS’s R&D Engineering Imaging and Radiation Systems Building. In this report, the resulting images from the Calibration Facility were obtained by overlaying the PSP and visual images manually using ImageJ. The resulting images from the Building 235-F tests presented in this report were produced using ImageJ and applying response trends developed from controlled testing results. The GrayQb{trademark} technology has been developed in two main stages at Savannah River National Laboratory (SRNL): 1) the GrayQb{trademark} development was supported by SRNL’s Laboratory Directed Research and Development Program and 2) the GrayQb{trademark} SF development and its testing in Building 235-F were supported by the Office of Deactivation and Decommissioning and Facility Engineering (EM-13), U.S. Department of Energy – Office of Environmental Management.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Integrating diagnostics and model-based optimization

Energy Management and Information Systems are a family of analytics technologies that include energy information systems, fault detection and diagnostics (FDD), and automated system optimization tools. Such systems have the potential to enable buildings to meet energy management goals of reducing total energy consumption and cost. Most current market offerings use data-driven and rule-based analytics. However, the use of physics-based models in the analytics offers potential improvements by providing an accurate estimation of outputs based on representation of the physical principles governing the building system behaviors. This also permits the use of design stage models to inform commissioning and operation. This paper describes the development and testing of a hybrid data-driven and physics model-based operational tool for energy efficiency in central cooling plants. The tool offers FDD functionality, setpoint optimization, and visualization of key performance parameters. It was demonstrated at a university campus in the mixed-humid ASHRAE Climate Zone 4A. Key performance metrics that were analyzed include plant electricity use reduction, plant model calibration, and system economics. Annual simulations indicate the tool can provide electricity savings of greater than 10% for approximately six months of the year, mainly during the winter season when wet bulb temperatures are low, though only 1.38% savings for the entire year. Additionally, over a 4-day period in April, recommended optimal setpoints were implemented, resulting in 17% savings versus metered baseline consumption. With respect to model calibration, the difference between model-predicted and measured parameters was less than 10% for 90% of data points acquired for three of six chillers, and for each ten cooling towers. Finally, the tool users reported that satisfaction with the capabilities was equal to or better than that with the preexisting BAS system.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

SimCCS: An open-source tool for optimizing CO 2 capture, transport, and storage infrastructure

Commercial-scale carbon capture and storage (CCS) technology will involve deploying infrastructure on a massive and costly scale. This effort will require careful and comprehensive planning to ensure that capture locations, storage sites, and the dedicated CO 2 distribution pipelines are selected in a robust and cost-effective manner. Presented in 2009, SimCCS is an optimization model for integrated system design that enables researchers, stakeholders, and policy makers to design CCS infrastructure networks. SimCCS 2.0 is a complete, ground-up redesign that is now a portable software package, useable and shareable by the CCS research, industrial, policy, and public communities. SimCCS 2.0 integrates multiple new capabilities including a refined optimization model, novel candidate network generation techniques, and optional integration with high-performance computing platforms. Accessing user-provided CO 2 source, sink, and transportation data, SimCCS 2.0 creates candidate transportation routes and formalizes an optimization problem that determines the most cost-effective CCS system design. This optimization problem is further solved either through a high-performance computing interface, or through third-party software on a local desktop computing platform. Finally, SimCCS 2.0 employs an open-access geographic information system framework to enable analysis and visualization capabilities. SimCCS 2.0 is written in Java and is publicly available via GitHub to encourage collaboration, modification, and community development.

42 ENGINEERING↗

Modeling a Million-Node Slim Fly Network Using Parallel Discrete-Event Simulation

As supercomputers close in on exascale performance, the increased number of processors and processing power translates to an increased demand on the underlying network interconnect. The Slim Fly network topology, a new lowdiameter and low-latency interconnection network, is gaining interest as one possible solution for next-generation supercomputing interconnect systems. In this paper, we present a high-fidelity Slim Fly it-level model leveraging the Rensselaer Optimistic Simulation System (ROSS) and Co-Design of Exascale Storage (CODES) frameworks. We validate our Slim Fly model with the Kathareios et al. Slim Fly model results provided at moderately sized network scales. We further scale the model size up to n unprecedented 1 million compute nodes; and through visualization of network simulation metrics such as link bandwidth, packet latency, and port occupancy, we get an insight into the network behavior at the million-node scale. We also show linear strong scaling of the Slim Fly model on an Intel cluster achieving a peak event rate of 36 million events per second using 128 MPI tasks to process 7 billion events. Detailed analysis of the underlying discrete-event simulation performance shows that a million-node Slim Fly model simulation can execute in 198 seconds on the Intel cluster.

interconnection networks↗