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At least 1,045 records · Page 58

Automated Identification of Characteristic Droplet Size Distributions in Stratocumulus Clouds Utilizing a Data Clustering Algorithm

Abstract Droplet-level interactions in clouds are often parameterized by a modified gamma fitted to a “global” droplet size distribution. Do “local” droplet size distributions of relevance to microphysical processes look like these average distributions? This paper describes an algorithm to search and classify characteristic size distributions within a cloud. The approach combines hypothesis testing, specifically, the Kolmogorov–Smirnov (KS) test, and a widely used class of machine learning algorithms for identifying clusters of samples with similar properties: density-based spatial clustering of applications with noise (DBSCAN) is used as the specific example for illustration. The two-sample KS test does not presume any specific distribution, is parameter free, and avoids biases from binning. Importantly, the number of clusters is not an input parameter of the DBSCAN-type algorithms but is independently determined in an unsupervised fashion. As implemented, it works on an abstract space from the KS test results, and hence spatial correlation is not required for a cluster. The method is explored using data obtained from the Holographic Detector for Clouds (HOLODEC) deployed during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign. The algorithm identifies evidence of the existence of clusters of nearly identical local size distributions. It is found that cloud segments have as few as one and as many as seven characteristic size distributions. To validate the algorithm’s robustness, it is tested on a synthetic dataset and successfully identifies the predefined distributions at plausible noise levels. The algorithm is general and is expected to be useful in other applications, such as remote sensing of cloud and rain properties. Significance Statement A typical cloud can have billions of drops spread over tens or hundreds of kilometers in space. Keeping track of the sizes, positions, and interactions of all of these droplets is impractical, and, as such, information about the relative abundance of large and small drops is typically quantified with a “size distribution.” Droplets in a cloud interact locally, however, so this work is motivated by the question of whether the cloud droplet size distribution is different in different parts of a cloud. A new method, based on hypothesis testing and machine learning, determines how many different size distributions are contained in a given cloud. This is important because the size distribution describes processes such as cloud droplet growth and light transmission through clouds.

54 ENVIRONMENTAL SCIENCES↗

Easing the Control System Application Development for CMS Detector Control System with Automatic Production Environment Reproduction

The Detector Control System (DCS) is one of the main pieces involved in the operation of the Compact Muon Solenoid (CMS) experiment at the LHC. The system is built using WinCC Open Architecture (WinCC OA) and the Joint Controls Project (JCOP) framework which was developed on top of WinCC at CERN. Following the JCOP paradigm, CMS has developed its own framework which is structured as a collection of more than 200 individual installable components each providing a different feature. Everyone of the systems that the CMS DCS consists of is created by installing a different set of these components. By automating this process, we are able to quickly and efficiently create new systems in production or recreate problematic ones, but also, to create development environments that are identical to the production ones. This latter one results in smoother development and integration processes, as the new/reworked components are developed and tested in production-like environments. Moreover, it allows the central DCS support team to easily reproduce systems that the users/developers report as being problematic, reducing the response time for bug fixing and improving the support quality.

43 PARTICLE ACCELERATORS↗

Program Correctness, Verification and Testing for Exascale (Corvette)

The goal of this project is to provide tools to assess the correctness of parallel programs written using hybrid parallelism. There is a dire lack of both theoretical and engineering know-how in the area of finding bugs in hybrid or large scale parallel programs, which our research aims to change. In the project we have demonstrated novel approaches in several areas: 1. Low overhead automated and precise detection of concurrency bugs at scale. 2. Using low overhead bug detection tools to guide speculative program transformations for performance. 3. Techniques to reduce the concurrency required to reproduce a bug using partial program restart/replay. 4. Techniques to provide reproducible execution of floating point programs. 5. Techniques for tuning the floating point precision used in codes.

97 MATHEMATICS AND COMPUTING↗

Reticular Materials and AI-Driven Computer Simulations for Seawater Mining of Valuable Metals (Final Technical Report)

This Final Technical Report describes our exploratory efforts that combine reticular materials synthesis (hydrolytically robust metal–organic frameworks, MOFs) with AI‑enabled molecular simulations to develop mechanistic, quantitative design rules for recovering lithium and other alkali-metal ions from highly dilute, competitive aqueous resources (e.g., seawater). The central outcome is a joint experimental–computational study of ion uptake in MOF‑808 (Chemical Science, 2025) that quantifies both thermodynamics and kinetics of Li + , Na + , and K + uptake and identifies how pore size, pore hydration state, dehydration penalties, and pore-window transport barriers govern selectivity. Guided by these insights, we synthesized and tested functionalized MOF‑808 and multivariate MOFs incorporating ion-recognition motifs (including carboxylates and crown-ether linkers) and evaluated uptake in synthetic seawater, highlighting framework topology and pore chemistry as levers for improved Li + /Na + discrimination. We also developed transferable simulation models, enhanced-sampling protocols, and automated workflows that enable systematic screening of porous sorbents.

42 ENGINEERING↗

Development of an automated high-temperature valveless injection system for online gas chromatography

A reliable method of sample introduction is presented for online gas chromatography with a special application to in situ field portable atmospheric sampling instruments. A traditional multi-port valve is replaced with a valveless sample introduction interface that offers the advantage of long-term reliability and stable sample transfer efficiency. An engineering design model is presented and tested that allows customizing this pressure-switching-based device for other applications. Flow model accuracy is within measurement accuracy (1%) when parameters are tuned for an ambient-pressure detector and 15% accurate when applied to a vacuum-based detector. Laboratory comparisons made between the two methods of sample introduction using a thermal desorption aerosol gas chromatograph (TAG) show that the new interface has approximately 3 times greater reproducibility maintained over the equivalent of a week of continuous sampling. Field performance results for two versions of the valveless interface used in the in situ instrument demonstrate typically less than 2% week -1 response trending and a zero failure rate during field deployments ranging up to 4 weeks of continuous sampling. Extension of the valveless interface to dual collection cells is presented with less than 3% cell-to-cell carryover.

Kreisberg, N. M.↗

AMSS

SAND2022-12902 O The Automated Method Selection Software (AMSS) is a chromatographic prediction tool based on the previously published BioCompound Machine Learning (BCML) tool. AMSS uses PubChem ID as input for molecule information such as SMILES and physical and chemical properties. The model is used to predict the best chromatography analysis method for testing compounds. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Poorey, Kunal↗

Next-Generation Energy Technologies for Connected and Automated On-Road Vehicles (NEXTCAR) - Predictive Data-Driven Vehicle Dynamics and Powertrain Control: from ECU to the Cloud (Final Scientific/Technical Report)

This project developed and demonstrated a predictive, data-driven vehicle control system designed to improve energy efficiency and driving performance. The team created intelligent self-driving car technology that optimizes fuel and electricity use by proactively planning vehicle actions. By combining Level 4 autonomous driving capabilities with vehicle-to-everything (V2X) connectivity, the system enables vehicles to adjust speed and change lanes in response to traffic signals, surrounding vehicles, and road conditions, reducing unnecessary stops and delays. In testing, the system improved vehicle fuel economy by more than 30% and reduced travel time by approximately 10%, compared to a conventional adaptive cruise control baseline. These results demonstrate the technical effectiveness of using predictive, V2X-enabled strategies, such as traffic light timing and surrounding traffic awareness, to inform real-time vehicle powertrain control and driving behavior. Additionally, a supporting cloud platform was developed to provide dispatch and route recommendations as well as to log vehicle data, demonstrating the economic feasibility of this approach at the fleet level. By optimizing dispatching and routing operations, this technology enables electric fleet operators to use their vehicles more efficiently and reduce reliance on diesel backups, lowering both operating costs and energy consumption. Overall, this project’s technology advances the future of clean, energy-efficient transportation, enabling vehicles and fleets to reduce energy waste, cut costs, and lower emissions through intelligent automation and connectivity.

33 ADVANCED PROPULSION SYSTEMS↗

Integrated Risk-Informed Condition Based Maintenance Capability and Automated Platform: Technical Report 3

This project is a collaborative research effort between PKMJ Technical Services LLC, Idaho National Laboratory, and Public Service Enterprise Group (PSEG) Nuclear, LLC. The collaboration, led by PKMJ Technical Services LLC, is part of the industry Funding Opportunity Announcement (FOA) award under Advanced Nuclear Technology Development FOA #DE-FOA-0001817. The pilot demonstration focuses on the Circulating Water System (CWS), an important non-safety-related system that impacts the power generation capability of the plant site. Achieving riskinformed condition-based Predictive Maintenance (PdM) on the CWS will result in significant economic benefits, and the developed methodologies can also be applied to other plant systems. This approach supports an industry goal of ensuring that nuclear power generation remains a viable, economically competitive option in the energy market. Operation and Maintenance (O&M) costs include labor-intensive Preventive Maintenance (PM) programs that involve manually performed inspection, calibration, testing, and maintenance of plant assets at periodic frequencies as well as time-based replacement of assets, irrespective of condition. This project offers an alternative by focusing on riskinformed condition-based maintenance to reduce O&M costs while still maintaining plant health and safety. This report summarizes the progress made toward achieving a risk-informed condition-based maintenance approach. The research and development (R&D) activities presented in this report are associated with development of a nuclear digital platform application, integration of fault signature models, and automated work management processes. The fault signatures and Machine Learning (ML) models are key components in predictive analytics and are heavily leveraged to improve the insights received by existing plant process data sources. Availability of the analysis results within a centralized digital platform enhances efficiency by enabling automation of activities otherwise performed manually. Personnel are presented with enhanced information that can be used to evaluate plant status and risks. Utilizing the enhancements to data analytics supports automated responses, (i.e. issuance of work orders) to address developing equipment faults and thus preventing forced, unplanned shutdowns of components or systems. The R&D activities described within this report lay the foundation for developing and demonstrating a digital automated platform to centralize the implementation of condition monitoring and response to equipment faults. The digital automated platform is cloud-based and designed to enable improved efficiency of plant processes. The digital platform includes content related to maintenance optimization, fault signature analysis, and plant records, which can all be used to support efficiencies when located within a centralized digital platform. These efficiencies could be further enhanced when deployed through industry-wide deployment of the technology to improve insights and processes based upon economies of scale.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Portsmouth D and D Technology Progress: Are We There Yet? - 18131

D and D projects in general and the Portsmouth (PORTS) Gaseous Diffusion Plant (GDP) D and D Project in particular have historically relied on labor-intensive manual methods to accomplish their objectives. In partnering with the Department of Energy's Environmental Management (DOE-EM) Technology Development Office supporting the DOE Science of Safety initiative, PORTS has made significant strides identifying and implementing innovative, mission-relevant robotic and related enabling technologies into the site's day-to-day operations. A WM2017 presentation described the various steps being taken towards technology deployment at PORTS. This WM2018 presentation updates the status of implementation and presents additional technologies that are being developed for deployment at the site. Specific technologies introduced at PORTS over the past year have included Virtual Reality work planning; an emergency response platform; and tele-operated systems for equipment dismantlement, material handling and size reduction. Each of these technologies has moved forward and is progressing toward implementation and operation. In addition, newly developed technology applications for detecting uranium deposits in pipes have successfully completed a series of demonstration testing (cold, warm and hot). Development of production prototypes is currently underway for deployment by late spring 2018. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SU-F-J-93: Automated Segmentation of High-Resolution 3D WholeBrain Spectroscopic MRI for Glioblastoma Treatment Planning

Purpose: We report on an automated segmentation algorithm for defining radiation therapy target volumes using spectroscopic MR images (sMRI) acquired at nominal voxel resolution of 100 microliters. Methods: Wholebrain sMRI combining 3D echo-planar spectroscopic imaging, generalized auto-calibrating partially-parallel acquisitions, and elliptical k-space encoding were conducted on 3T MRI scanner with 32-channel head coil array creating images. Metabolite maps generated include choline (Cho), creatine (Cr), and N-acetylaspartate (NAA), as well as Cho/NAA, Cho/Cr, and NAA/Cr ratio maps. Automated segmentation was achieved by concomitantly considering sMRI metabolite maps with standard contrast enhancing (CE) imaging in a pipeline that first uses the water signal for skull stripping. Subsequently, an initial blob of tumor region is identified by searching for regions of FLAIR abnormalities that also display reduced NAA activity using a mean ratio correlation and morphological filters. These regions are used as starting point for a geodesic level-set refinement that adapts the initial blob to the fine details specific to each metabolite. Results: Accuracy of the segmentation model was tested on a cohort of 12 patients that had sMRI datasets acquired pre, mid and post-treatment, providing a broad range of enhancement patterns. Compared to classical imaging, where heterogeneity in the tumor appearance and shape across posed a greater challenge to the algorithm, sMRI’s regions of abnormal activity were easily detected in the sMRI metabolite maps when combining the detail available in the standard imaging with the local enhancement produced by the metabolites. Results can be imported in the treatment planning, leading in general increase in the target volumes (GTV60) when using sMRI+CE MRI compared to the standard CE MRI alone. Conclusion: Integration of automated segmentation of sMRI metabolite maps into planning is feasible and will likely streamline acceptance of this new acquisition modality in clinical practice.

60 APPLIED LIFE SCIENCES↗

Gene sharing networks to automate genome-based prokaryotic viral taxonomy

Viruses of bacteria and archaea impact natural, engineered and human ecosystems, but their study is hampered by the lack of a universal or scalable taxonomic framework. Furthermore we introduce vConTACT v2.0, a network-based application to establish prokaryotic virus taxonomy that scales to thousands of uncultivated virus genomes, and integrates distance-based hierarchical clustering and confidence scores for all taxonomic predictions. Performance tests demonstrated significant improvements over the original tool and near-identical (96%) correspondence to current International Committee on Taxonomy of Viruses (ICTV) viral taxonomy where genus-level assignments are available. Beyond these “known viruses”, vConTACT v2.0 suggested automatic genus assignments for 1,364 previously unclassified reference viruses, with perfectly scoring assignments submitted as new taxonomic proposals to ICTV. Scaling experiments with 15,280 global ocean large viral genome fragments demonstrated that the reference network was rapidly scalable and robust to adding large-scale viral metagenomic datasets. Together these efforts provide a critically-needed, systematically classified reference network and an accurate, scalable, and automatable taxonomic analysis tool.

54 ENVIRONMENTAL SCIENCES↗

Automated Vehicle Detection in a Nuclear Facility Using Low-Frequency Acoustic Sensors

This article presents an analysis of the method of construction and results for a classifier intended to identify vehicles using low-frequency acoustic data collected by a dis-tributed sensor network. This data is collected as part of a venture intended to explore data analytics and multisensor fusion techniques for the monitoring of activities at a test bed nuclear facility located at Oak Ridge National Laboratory in Oak Ridge, Tennessee. We describe the associated target signature and design a classifier based on a multilayer perceptron, followed by an analysis of its results. We discuss how overall accuracy is not the only consideration in constructing this classifier, and how for this application, it is actually desirable to operate at a lower level of accuracy in exchange for a reduction in the false alarm rate, as well as how this relates to the actual deployment of the classifier in practical use.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Detecting technological maturity from bibliometric patterns

We report the capability to identify emergent technologies based upon easily accessed open-source indicators, such as publications, is important for decision-makers in industry and government. The scientific contribution of this work is the proposition of a machine learning approach to the detection of the maturity of emerging technologies based on publication counts. Time-series of publication counts have universal features that distinguish emerging and growing technologies. We train an artificial neural network classifier, a supervised machine learning algorithm, upon these features to predict the maturity (emergent vs. growth) of an arbitrary technology. With a training set comprised of 22 technologies we obtain a classification accuracy ranging from 58.3% to 100% with an average accuracy of 84.6% for six test technologies. To enhance classifier performance, we augmented the training corpus with synthetic time-series technology life cycle curves, formed by calculating weighted averages of curves in the original training set. Training the classifier on the synthetic data set resulted in improved accuracy, ranging from 83.3% to 100% with an average accuracy of 90.4% for the test technologies. The performance of our classifier exceeds that of competing machine learning approaches in the literature, which report an average classification accuracy of only 85.7% at maximum. Moreover, in contrast to current methods our approach does not require subject matter expertise to generate training labels, and it can be automated and scaled.

97 MATHEMATICS AND COMPUTING↗

Apparatus for skidding sensitivity testing of energetic materials

A remote-operated apparatus for testing the detonation sensitivity of energetic materials is detailed. Using an air ram and rotating disk, the normal force and transverse velocity of the impact plane are controlled independently, enabling the exploration of varying impact conditions over a wide parameter space. A microcontroller local to the apparatus is used to automate apparatus operation and ensure temporal alignment of the impacting ram head with the rotating disk. Calculation of the firing parameters and issuing of operational commands are handled by a remote computer and relayed to the local microcontoller for execution at the hardware level. Finally, impact forces are taken from fast strain measurements obtained from gauges incorporated into the ram head. Infrared imaging of explosive samples provides insight to the peak thermal temperatures experienced at the sample surface during the impact event.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

pdas-experiments

SAND2025-04589O pdas-experiments automates computational experiments of fluid flow simulations. It uses the pressio-demoapps-schwarz package as a basis to break down complex simulations into smaller, manageable parts. This application is an extension of the Sandia Pressio software which uses domain decomposition to work with complex simulations more efficiently. Users can test different simulation setups, while keeping a detailed record of their experiments so they can be reproduced later. The software includes a C++ program that runs individual experiments based on user-defined settings in a YAML file, as well as a Python script that can manage multiple simulations at once. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Tezaur, Irina [Sandia National Lab. (SNL-CA), Live↗

Toward Autonomous Field Inspection of CSP Collectors With a Polarimetric Imaging Drone

We developed a polarimetric imaging drone to perform field inspections of heliostats and carried out field tests at Sandia’s National Solar Thermal Test Facility (NSTTF). The preliminary results show that Degree of Linear Polarization (DOLP) and Angle of Polarization (AOP) images greatly enhanced the edge detection results compared with the conventional visible images, supporting fast and accurate detection of heliostat mirror edges and cracks. The system holds the promise to enable future automated detection of heliostats optical errors and mirror defects.

14 SOLAR ENERGY↗

Large-scale parametric modeling of spent nuclear fuel dynamics in the 30 cm package drop scenario

Packages used to transport spent nuclear fuel (SNF) are required by the U.S. Code of Federal Regulations 10 CFR 71.71 to demonstrate satisfactory performance during a drop scenario. While the CFR is meant to ensure safe package function, it does not evaluate survival of the SNF within. The U.S. Department of Energy Spent Fuel and Waste Science and Technology program is working on closing the knowledge gap related to the response of SNF to external mechanical loads, including the hypothetical 30 cm package drop scenario in the CFR. In support of this effort, LS-DYNA finite element simulations were developed by Pacific Northwest National Laboratory (PNNL) to model generic drop scenarios at both the package and fuel assembly level. The models were validated against one-third scale package and full scale fuel assembly drop test data and were exercised to predict fuel cladding strains in a narrow range of model configurations. This work describes a large-scale parametric study conducted by PNNL using the previously developed and validated PWR finite element model, with the addition of a new generic BWR assembly model. The motivation for the parametric study was to characterize the broad range of SNF responses in the 30 cm package drop scenario. This was accomplished by varying the drop orientation, fuel assembly type (17x17 PWR and 10x10 BWR), burnup, cladding temperature, spacer grid buckling load, package mass, impact limiter stiffness, and mechanical gap conditions within the basket. A MATLAB framework was developed to automate LS-DYNA model generation and execution on PNNL institutional computing resources. In total, over 2000 simulations were performed. For each simulation, the SNF response was quantified in terms of permanent grid deformation, fuel rod contact pressure, and strains within the fuel rods, guide tubes, and water rods. The results provide valuable insight into the range of responses that could be reasonably expected from SNF in the hypothetical drop scenario, as well as the sensitivity to each input parameter. The results of this parametric study are a key component of the testing and modeling strategy the Spent Fuel and Waste Science and Technology program is using to close the external loads knowledge gap.

Kadooka, Kevin↗

The Portable Ice Nucleation Experiment (PINE): a new online instrument for laboratory studies and automated long-term field observations of ice-nucleating particles

Atmospheric ice-nucleating particles (INPs) play an important role in determining the phase of clouds, which affects their albedo and lifetime. A lack of data on the spatial and temporal variation of INPs around the globe limits our predictive capacity and understanding of clouds containing ice. Automated instrumentation that can robustly measure INP concentrations across the full range of tropospheric temperatures is needed in order to address this knowledge gap. In this study, we demonstrate the functionality and capacity of the new Portable Ice Nucleation Experiment (PINE) to study ice nucleation processes and to measure INP concentrations under conditions pertinent for mixed-phase clouds, with temperatures from about -10 to about -40°C. PINE is a cloud expansion chamber which avoids frost formation on the cold walls and thereby omits frost fragmentation and related background ice signals during the operation. The development, working principle and treatment of data for the PINE instrument is discussed in detail. We present laboratory-based tests where PINE measurements were compared with those from the established AIDA (Aerosol Interaction and Dynamics in the Atmosphere) cloud chamber. Within experimental uncertainties, PINE agreed with AIDA for homogeneous freezing of pure water droplets and the immersion freezing activity of mineral aerosols. Results from a first field campaign conducted at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) observatory in Oklahoma, USA, from 1 October to 14 November 2019 with the latest PINE design (a commercially available PINE chamber) are also shown, demonstrating PINE's ability to make automated field measurements of INP concentrations at a time resolution of about 8 min with continuous temperature scans for INP measurements between -10 and -30°C. During this field campaign, PINE was continuously operated for 45 d in a fully automated and semi-autonomous way, demonstrating the capability of this new instrument to also be used for longer-term field measurements and INP monitoring activities in observatories.

54 ENVIRONMENTAL SCIENCES↗