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DOE OSTI2024

Accuracy Enhancement of Nuclear Power Plant Simulators Utilizing High Accuracy Simulation Predictions

More recently, reactor core simulators for core designs associated with commercial nuclear power plants that utilize what is believed to be higher fidelity models have been developed. Features such as neutronics models that utilize transport equation solvers with fine spatial meshes and many energy-groups, thermal-hydraulic models that utilize sub-channel solvers with fine spatial mesh and capable of treating a wide range of fluid conditions, and fuel-coolant chemistry interaction models capable of treating CRUD deposition are to be found in these higher fidelity core simulators. These reactor core simulators require access to higher performance computers, characterized by many processors, cores and large memory. So associated with utilization of these simulators is access to high performance computers and ability to accommodate in one’s workflow longer execution times. By contrast, currently used core simulators by the nuclear industry can execute on engineering workstations and have execution times of seconds to minutes. The desirability for having short execution times is not only desired for support of time critical tasks but supports the mental process of decision making by engineers. The goal of the work reported upon here has the objective of retaining the fidelity of higher fidelity models while retaining the ability to utilize engineering workstations. Beyond the core simulator goal, additional goals of this work include incorporating the just described core simulator capability into a Nuclear Steam Supply System (NSSS) simulator, and to incorporate the resulting capability into an environment supportive of design and operational decision making associated with nuclear power stations. The model selected for the core neutronics model is the NESTLE code, for the core thermal-hydraulic model is the CTF code utilizing coarse mesh, and for the NSSS model is the RELAP5-3D code. WSC’s proprietary 3KEYMASTERTM platform is being used to provide software coupling, user interface, visualization, and reporting. The NESTLE core neutronics simulator was first integrated with the CTF core thermal-hydraulic simulator using CTF developed communication commands which are also used for CTF to communicate with RELAP5-3D under WSC’s proprietary 3KEYMASTERTM platform. To assure NESTLE prediction consistency with higher fidelity core neutronic simulators, buffer codes have been created to automatically generate from output files written by the VERA core simulator the NESTLE nodal neutronic parameter’ library, geometry, and pin-power reconstruction input files, thereby avoiding a number of challenges associated with utilizing lattice physics codes and providing consistency with VERA predictions. To treat absorber rod effects a multi-set library is utilized, where a set refers to a specific absorber rod fully inserted pattern. A coarse spatial mesh CTF model was developed with features added that support using CTF as envisioned in the engineering quality simulator. A hybrid meshing approach was implemented to allow for automated construction of models with mixed levels of refinement. Specifically, a core model could resolve some assemblies at a nodal level (4 subchannels per assembly) and others at a pin-resolution (one subchannel per coolant subchannel in the assembly). The intention is that this will allow for better resolution of limiting conditions such as DNBR and PCT, which are based on local rod and subchannel conditions. Further development was done of features that enhance the capabilities for the envisioned engineering quality simulator that has been developed, but now for RELAP-3D. The RELAP5-3D code development includes ability to model more than 999 components and the addition of the cross-channels turbulence mixing model and the void drift model that are implemented in CTF, aiming to achieve closer prediction agreement of the two codes for transient simulations, specifically, more accurate matches of the overall mass, momentum, and energy exchanges of both the liquid and gas phases between the neighboring core assemblies. Graphics were also developed for the Instructor Station for this project under WSC’s proprietary 3KEYMASTERTM platform to facilitate design and operational decision making.

42 ENGINEERING↗

DOE OSTI2024

Securing Grid-interactive Efficient Buildings (GEB) through Cyber Defense and Resilient System (CYDRES)

The DOE CYDRES project is driven by the urgent need to address critical research gaps in the domain of cyber-physical security of smart buildings, including Grid-interactive Efficient Buildings (GEBs). CYDRES, a real-time advanced building resilient platform, aims to enhance the cyber-attack-immune capabilities of buildings through multi-layered prevention, detection, and adaptation mechanisms. CYDRES consists of five key modules: a multi-layer network analyzer, an Automatic Fault Detection, Diagnosis, and Prognosis (AFDDP) framework, an intelligent mode selector, a cyber-resilient control framework, and a situation awareness platform. The Network Analyzer employs a data-driven framework that includes a protocol state learning tool and a CRF (Conditional Random Field) command validator. In Hardware-In-the-Loop (HIL) testbeds, it achieved 100% detection accuracy with a false alarm rate of 3%, validating its efficacy in identifying selected cyber-attacks. The AFDDP framework leverages pattern matching, PCA (Principal Component Analysis)-based strategies, and a DBN (Dynamic Bayesian Network)-based fault diagnosis approach to pinpoint the causes of physical system abnormalities using Building Automation System (BAS) data. In HIL experiments, the AFDDP module attained a detection accuracy of over 95% with a false alarm rate below 7%. Additionally, the fault detector utilized machine learning (Random Forest) and deep learning (Multi-Layer Perceptron) methods with acoustic sensor data to achieve a 100% fault detection accuracy in Heating, Ventilation, and Air-Conditioning (HVAC) equipment. The Mode Selector offered real-time impact analysis, allowing immediate actions to protect BASs in the face of emerging threats. The cyber-resilient control framework included an adaptive Model Predictive Control (MPC) and a measurement compensator, reducing temperature violations by up to 94% and improving the total demand flexibility by up to 70% in HIL experiments. Such HIL experiments covered a cyber-attack case and a physical fault case, showcasing CYDRES’ efficiency in maintaining operational continuity during threats. The situation awareness platform in Grafana enhanced real-time threat detection and response visualization, augmenting the operational awareness for building operators. CYDRES demonstrated high technical effectiveness in various test scenarios, particularly in HIL environments. The project's phased development approach ensured efficient use of resources, highlighting its practical feasibility and readiness for commercialization. By enhancing the security and resilience of building operations, CYDRES represents a significant advance in mitigating risks associated with cyber-physical systems, thereby enhancing public confidence in the safety of modern building infrastructure. Future directions for the project include expanding testing protocols, refining AFDDP methodologies, exploring more comprehensive resilient control strategies, and testing in real commercial buildings.

42 ENGINEERING↗

DOE OSTI2025

The Automatic Reactor Control System (ARCS) Upgrade, version 2.0 for TREAT

The Transient REActor Test Facility (TREAT) recently underwent an upgraded to the Automatic Reactor Control System (ARCS). The purpose of the upgrade was to institute a new software architecture that is better suited for the programming environment, patched software bugs and applied two new segments for reactor control. This paper will focus on the new segments for reactor control. The two new control segments added to ARCS are called Generic Power and Generic Rods. The original version of ARCS provided only two power related functions, namely periods and ramps, that had to be spliced together to generate any power shape. The Generic Power segment allows the user to input data points to define the function and then the algorithm does its best to create the desired shape. The original ARCS program utilized two direct rod commands (i.e. open loop control), these were a rod stop and clip. A Generic Rod segment extends the ability of the computer to directly command any rod position. The functionality of these new segments was proven during the TREAT outage in 2024.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2022

Ontology Development Kit: a toolkit for building, maintaining and standardizing biomedical ontologies

Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking and dependency management. To manage these processes, a diverse set of tools is required, from command-line utilities to powerful ontology-engineering environmentsr. Particularly in the biomedical domain, which has developed a set of highly diverse yet inter-dependent ontologies, standardizing release practices and metadata and establishing shared quality standards are crucial to enable interoperability. The Ontology Development Kit (ODK) provides a set of standardized, customizable and automatically executable workflows, and packages all required tooling in a single Docker image. In this paper, we provide an overview of how the ODK works, show how it is used in practice and describe how we envision it driving standardization efforts in our community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2025

Datum: A Scientific Metadata Catalog

The data catalog market is currently flooded with a myriad of different products, but none serve the scientific community well. There are cloud-native tools like Databricks, Snowflake,to on-premise solutions like Collibra and Datahub. The common failing of all these tools however, is their inability to serve the scientific data community directly. Most catalogs are targeted towards financial, health, or user data - not sensor or scientific domain data. They also prioritize integrations that often don’t exist or are just starting to be used in the scientific realm - all while ignoring common scientific tools and file types. Datum is a catalog which targets the scientific data directly, including the tools and networks in which those tools are used. We work with the producers and consumers of the data where they are, targeting cloud and on-premise with a focus on classified networks. Datum is an Erlang/Elixir application. Technical Features Note: The features listed below are still under development and may change, slightly, upon final delivery of the product. File Formats - Datum has the ability to read additional metadata and provides processing pipelines for the following file formats: Plain Text, PDF, LaTeX, HTML, Open Document Format (.odt), XML, CSV/TSV (and other standard delimiters), OpenDocument Database and Spreadsheets, Geo-Referenced TIFF, Common Data Format, HDF/HDF5, LabView TDMS, Excel, DeltaTables, Parquet, Apache Iceberg, Apache Hudi and many others. Metadata Collection - Scanners for the local and networked file systems and cloud storage providers. Network integration with common databases such as MSSQL and MySQL. User Plugin System - Users are able to provide either file processing, metadata extraction, or sampling plugins in the programming language of their choice. Authentication/Authorization -: OIDC integration, SCIM provisioning and EntraID integration out of the box. Full user and group management system with a “least privilege” operating mode. Governance - Customizable data governance platform; dictate and enforce required metadata, enforce data embargos, and enforce user agreements and NDAs before data access. Ability to create health checks on data, rejecting abandoned or poorly curated data and automatically removing it from the search index. Ability for users to submit corrections. Search - Semantic search is a first class citizen. No licenses to expensive, external software required. Integrated use of vectors and vector-based search allows for AI agent integration at all levels of operation. Metadata Model - Display and control data’s lineage and connections to other data and data directories. Data is modeled after a filesystem - an organization instantly recognizable and navigable by most any user. CLI and SDK - Ships with a Command Line Interface (CLI) tool and with a fully-featured Python SDK. This allows for rapid and programmatic use of Datum by every level of user. Minimal Infrastructure - Datum ships as a single executable file and can be run on any operating system and most CPU architectures. Datum has no reliance on external databases, search indexing tools, or other outside services - and it runs equally well on edge computing devices, cloud services, or in a clustered HPC environment.

darrington, john↗

DOE OSTI2026

The Art of Automation: Translating Electron Microscopy Workflows Into Automated Processes

Acquiring data using a scanning transmission electron microscope (STEM) is a complex, multi-step process. The intricacy of the process depends on the type of sample, composition of the material, desired results of the experiment, resolution requirement and other experimental factors. Each experiment presents unique complications, such as sample drift and contamination, that the microscopist must consider when acquiring data. All these challenges are handled fluidly and expertly by experienced microscopists, but to reach new levels of innovation in material development, including greater reproducibility, throughput, and precision, the automation of these workflows is essential. The initial phase of this work involved translating intuition-based workflows into discrete, programmable steps. Some common key stages in STEM workflows are the initial tuning, scanning the sample for areas of interest, and then acquiring the data. Each stage can be broken further into specific parameter adjustments, such as aberration correction and dwell time optimization, depending on the experiment. When deconstructing various experiments each step was assessed for automation feasibility based on the amount of real time operator decisions. There are steps that lend themselves to automation more readily than others, such as course focusing and sample screening, but there is potential for full automation of all stages with time. As an initial step, an automated montage routine was developed, allowing for the efficient acquisition of large portions of the sample without requiring continuous intervention from the operator. The automation of this small process of the procedure demonstrates the value of this capability. A major challenge in automation arises from discrepancies between commanded, reported and actual stage movements. Using systematic tests, stage movement was quantified. This error can be corrected algorithmically for more accurate workflows in the future. Expanding automation capabilities would result in larger, more efficient data acquisition which allows for more robust statistical analysis. Additionally, this work lays the groundwork for a closed loop system where machine learning algorithms would intake automatically acquired data and make real time decisions. By progressively automating this instrument, this work establishes the foundation for fully automated experimentation in transmission electron microscopy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

KBKit: A Python Toolkit for Kirkwood–Buff Theory from Molecular Dynamics

Thermodynamic properties of liquid mixtures govern processes that range from drug delivery to energy storage, yet extracting these properties from molecular simulations remains challenging. Kirkwood–Buff (KB) theory offers a rigorous route by linking microscopic pair distribution functions to macroscopic free energies, but practical use of the theory has been hindered by two obstacles: (i) the long simulations needed to obtain well-converged Kirkwood-Buff integrals (KBIs) and (ii) the specialized corrections required to translate finite-size data to the thermodynamic limit. $\texttt{KBKit}$ is an open-source Python package that removes these barriers. It automatically computes KBIs and derived thermodynamic quantities from GROMACS input files, applies state-of-the-art finite-size corrections, and provides built-in diagnostic tools to quantify statistical uncertainty. Written with modern software-engineering practices—continuous integration, extensive unit testing, and thorough documentation—$\texttt{KBKit}$ is both reliable and easy to extend. By condensing complex KBI analysis into a few intuitive commands, $\texttt{KBKit}$ enables researchers to incorporate KB theory into routine simulation workflows and accelerate the discovery of solution-phase thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Purpose-Built UAVs for Physical Sampling of Trace Contamination at the Portsmouth Gaseous Diffusion Plant - 17331

The sampling of trace amounts of contamination, particularly of low-energy byproducts such as americium, presents a challenge for non-contact sensing. In many cases, such as determining the need for cleaning inside the exhaust shaft of the Waste Isolation Pilot Plant or sampling the walls of the enormous Gaseous Diffusion Plant at Portsmouth, it may be desirable to take physical swab samples at carefully distributed sample locations for analysis by mass spectrometry. Because of the danger posed to human workers in such scenarios, including risk of falls from lethal heights and exposure to low levels of radiation and the hassle of donning and doffing PPE, a low-cost robotic solution is desired. The inaccessibility of the heights involved suggest Unmanned Aerial Vehicle (UAV) solutions, rather than Unmanned Ground Vehicle (UGV) solutions, but conventional quadrotor UAVs are ill-suited to precise physical interaction with their surroundings. Quadrotors are under-actuated, rendering them non-holonomic and preventing the dexterous application of arbitrary generalized force/torques in interaction with the environment. At Purdue University, the authors have developed a number of novel UAV platforms suitable for dexterous interaction with the environment, making them ideal for such applications. These platforms can independently control forces in all directions, allowing for controlled application of the swab to the surface. Because of the scale of these structures (over 2 km in the case of the Gaseous Diffusion Plant), flight efficiency is of supreme importance. The Purdue team is took a variety of vehicles to the Gaseous Diffusion Plant for field trials on site in August, 2016. (With results available prior to the meeting.) The Purdue Dexterous Hexrotor is a fully-actuated Hexrotor capable of exerting forces in all six directions of force and torque. Operating alone or in swarms, the Dexterous Hexrotor can fly in free space, transition to contact through impact control, and sample the surface through force control. The Purdue I-BoomCopter is a tri-copter with an extra horizontal propeller that enables long-distance flight without pitching and the ability to apply closed-loop forces horizontally. Finally, the Purdue Tiltrotor VTOL is an under-actuated hybrid UAV that combines tilting rotors for vertical takeoff and landing, with a fixed-wing, flying-body design that is ultra-efficient for long-distance flight. The Dexterous Hexrotor provided two demonstrations of physical sampling of walls and crane rails. In sampling the large open sections of the inside of the plant, a small swarm of three UAVs is commanded to sample three distinct points on an internal map of the building. Human-supervised autonomy permits the UAVs to take off by themselves, find a clear elevation at which to fly through uncluttered space, navigate to their designated sampling points, and pause for confirmation by the human supervisor. The supervisor is presented with a video image of the intended sampling spot, which, if confirmed, the UAV will automatically approach and sample. The UAVs then autonomously return to the take-off spot. The second demo involved a single UAV searching upwards, then transitioning into 3-D SLAM mode to wait for a safe sampling spot on the 3-D scan to acquire the sample from the crane rail. The human supervisor, in this case, is responsible for ensuring the absence of cables and other obstacles. I-BoomCopter demonstrated its high-speed, long-distance coverage ability by making a few fast passes before homing in on a mock-up electrical panel with door, which it opened and closed. The dexterity of the I-BoomCopter results from its large propellers, which allow for controlled hovering and the horizontal thruster for applying forces of significant magnitude. Finally, the Tiltrotor VTOL is highly efficient in fixed-wing mode, but the tilt-rotor is under-actuated in hover. The tilt-rotor will take off vertically, then transition to high-speed, long-distance flight to make a number of passes inside the facility. The significance of these demos is the low-cost implementation of physical sampling over prescribable locations in difficult-to-reach areas of potentially contaminate facilities. To make this tractable over very large facilities, the demonstration of combinations of dexterous hovering ability and long-distance/high-speed flight is also in evidence. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

R and DE Robotic Sensor Intern Team: Sensor Suite Software and User Interface

The sensor tree developed for the H-Canyon tunnel inspection project produces a large quantity of camera and Lidar data. A postprocessing pipeline was created to facilitate the analysis of these data. The pipeline follows the following routine: 1) Registration - Salient local features in subsequent scans are identified and used to align the scans with one another. This allows production of a single cohesive map of the tunnel. 2) Sensor Fusion - RGB camera data is 'painted' onto the depth data created by the Lidar. 3) Segmentation - Individual surfaces from within the scene are segmented out separately for individual analysis. 4) Degradation Analysis - Automatic mapping of local deviation from the plane in position or surface normal is performed, as is detection of exposed rebar using Lidar return intensity. 5) Obstacle Detection - Lidar data is also used in real time to detect obstacles in the environment. This could give feedback to the operator to successfully drive in the tunnel. 6) Graphic User Interface - a custom GUI was created to facilitate customer use of the system. The system provides real-time feedback from both the cameras and Lidar. During alignment, local features are used to recognize points within the walls that are especially unique and noticeable (salient) based on their deviation from the expected surface of the wall. These are used as landmarks to register the clouds, which also informs precise localization of the base at each scan point. After registration, clouds are 'painted' with RGB data from the spherical cameras, as shown below. The painted clouds provide a 3D, colorized model of the environment which improves the realism of the experience for the user. Painting also labels high-resolution color imagery from the 3D cameras with depth values. Following sensor fusion, individual walls and cylindrical duct surfaces are segmented from the scene for individual analysis using a Random Sample Consensus algorithm. This algorithm allows segmentation of planar walls and cylindrical ducts. Once individual walls are identified, each point within the wall can be compared to its neighbors and the wall overall in order to detect local areas with damaged concrete. Automatic rebar detection is also performed using the contrast in Lidar return intensity between iron and concrete. The Lidar point-cloud data is also used for obstacle detection. As the Lidar spins, various algorithms are run to analyze the current 'slice' and obstacles in the environment are determined and registered on a cost-map. A Graphical User Interface (GUI) was developed to allow the user to easily command the crawler to set the rotational speed of the Lidar, perform a scan, and register and save the 3D generated cloud after a scan is done. For the good of the crawler, a critical aspect of the GUI design is to allow the user to cancel a scan any time after it is commanded and before it is saved.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

PAGOSA Mesh Block Calculator

A method for automatically generating the “mesh namelist block” portion of a PAGOSA input file, which specifies the boundaries and zone sizes of the computational mesh, has been developed. This application standardizes the mesh block for 2-, and 3-dimensional problems and is computed after the user specifies the extent and resolution of the mesh and the number of processors which will be used to run the problem. The inputs may be provided directly through a series of command-line guided questions, or a separate input file. The mesh block is written to both standard output and to disk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Mesh Computing Remote Automatic Workflow

The software suite uses a microservice architecture using Docker and `docker-compose`. The microservices are as follows: 1. User interface. This interface is written in JavaScript using the Svelte framework. It exposes form elements and a 3D visualizer to prompt the user through the definition of microstructure parameters, and setting parameters for mesh generation and refinement. 2. Mesh generator. This is a container running the Python package for DREAM3D to generate a voxelized mesh that represents a microstructure defined by the user in the interface. 3. Cubit runner. This is a secure shell protocol tool that makes the submitting the DREAM mesh to an HPC instance and starts to run Cubit shell commands to smooth the grain boundaries with its `sculpt` library, applies user-defined boundary node sets, and bundles and returns the simulation-ready meshes and input files as a zipped directory.

Harris, BrennanKay↗

DOE OSTI2016

acdc – Automated Contamination Detection and Confidence estimation for single-cell genome data

Abstract Background A major obstacle in single-cell sequencing is sample contamination with foreign DNA. To guarantee clean genome assemblies and to prevent the introduction of contamination into public databases, considerable quality control efforts are put into post-sequencing analysis. Contamination screening generally relies on reference-based methods such as database alignment or marker gene search, which limits the set of detectable contaminants to organisms with closely related reference species. As genomic coverage in the tree of life is highly fragmented, there is an urgent need for a reference-free methodology for contaminant identification in sequence data. Results We present acdc, a tool specifically developed to aid the quality control process of genomic sequence data. By combining supervised and unsupervised methods, it reliably detects both known and de novo contaminants. First, 16S rRNA gene prediction and the inclusion of ultrafast exact alignment techniques allow sequence classification using existing knowledge from databases. Second, reference-free inspection is enabled by the use of state-of-the-art machine learning techniques that include fast, non-linear dimensionality reduction of oligonucleotide signatures and subsequent clustering algorithms that automatically estimate the number of clusters. The latter also enables the removal of any contaminant, yielding a clean sample. Furthermore, given the data complexity and the ill-posedness of clustering, acdc employs bootstrapping techniques to provide statistically profound confidence values. Tested on a large number of samples from diverse sequencing projects, our software is able to quickly and accurately identify contamination. Results are displayed in an interactive user interface. Acdc can be run from the web as well as a dedicated command line application, which allows easy integration into large sequencing project analysis workflows. Conclusions Acdc can reliably detect contamination in single-cell genome data. In addition to database-driven detection, it complements existing tools by its unsupervised techniques, which allow for the detection of de novo contaminants. Our contribution has the potential to drastically reduce the amount of resources put into these processes, particularly in the context of limited availability of reference species. As single-cell genome data continues to grow rapidly, acdc adds to the toolkit of crucial quality assurance tools.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

MetaboDirect: an analytical pipeline for the processing of FT-ICR MS-based metabolomic data

Background: Microbiomes are now recognized as the main drivers of ecosystem function ranging from the oceans and soils to humans and bioreactors. However, a grand challenge in microbiome science is to characterize and quantify the chemical currencies of organic matter (i.e., metabolites) that microbes respond to and alter. Critical to this has been the development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), which has drastically increased molecular characterization of complex organic matter samples, but challenges users with hundreds of millions of data points where readily available, user-friendly, and customizable software tools are lacking. Results: Here, we build on years of analytical experience with diverse sample types to develop MetaboDirect, an open-source, command-line-based pipeline for the analysis (e.g., chemodiversity analysis, multivariate statistics), visualization (e.g., Van Krevelen diagrams, elemental and molecular class composition plots), and presentation of direct injection high-resolution FT-ICR MS data sets after molecular formula assignment has been performed. When compared to other available FT-ICR MS software, MetaboDirect is superior in that it requires a single line of code to launch a fully automated framework for the generation and visualization of a wide range of plots, with minimal coding experience required. Among the tools evaluated, MetaboDirect is also uniquely able to automatically generate biochemical transformation networks (ab initio) based on mass differences (mass difference network-based approach) that provide an experimental assessment of metabolite connections within a given sample or a complex metabolic system, thereby providing important information about the nature of the samples and the set of microbial reactions or pathways that gave rise to them. Finally, for more experienced users, MetaboDirect allows users to customize plots, outputs, and analyses. Conclusion: Application of MetaboDirect to FT-ICR MS-based metabolomic data sets from a marine phage-bacterial infection experiment and a Sphagnum leachate microbiome incubation experiment showcase the exploration capabilities of the pipeline that will enable the research community to evaluate and interpret their data in greater depth and in less time. It will further advance our knowledge of how microbial communities influence and are influenced by the chemical makeup of the surrounding system. The source code and User’s guide of MetaboDirect are freely available through (https://github.com/Coayala/MetaboDirect) and (https://metabodirect.readthedocs.io/en/latest/), respectively.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Automated tape-target centering based on template matching for construction measurement tasks using robotic total station

Robotic total stations have transformed surveying and construction mapping through precise, efficient, and automated measurements. These instruments integrate a theodolite, which measures horizontal and vertical angles, with an electronic distance measurement (EDM) unit to determine distances, allowing accurate 3D measurement of observable points. Traditionally, users manually aimed the total station at a target. Recent advancements in robotic motor control and integration of cameras now enable automatic rotation and aiming, typically requiring only a single operator to position the target. Automated aiming is commonly performed using retroreflector prisms, which reflect light back to the source with minimal scattering, enabling high-precision measurements over long distances. However, retroreflectors, especially those designed for 360 degree, can be expensive and impractical for certain applications. This paper presents an algorithm for automating the center detection of low-cost disposable tape targets using the total station's onboard camera and a template matching algorithm. The algorithm identifies the target's center pixel in the image, and the instrument is commanded to aim at that location. We evaluated the performance of this template-matching-based centering method under various distances, angles, lighting conditions, and field environments, comparing its results to both manual aiming and conventional automated aiming of tape targets. Manual aiming was used as the baseline operational reference in the absence of an independent ground-truth measurement. The proposed approach achieves target centering results comparable to the manual baseline. This method provides a cost-effective alternative for high-precision applications where retroreflector targets are constrained by budget or logistics.

Harrington, Joshua [ORNL]↗

DOE OSTI2016

Automated metadata, provenance cataloging and navigable interfaces: ensuring the usefulness of extreme-scale data

The MPO (Metadata, Provenance, Ontology) Project successfully addressed the goal of improving the usefulness and traceability of scientific data by building a system that could capture and display all steps in the process of creating, analyzing and disseminating that data. Throughout history, scientists have generated handwritten logbooks to keep track of data, their hypotheses, assumptions, experimental setup, and computational processes as well as reflections on observations and issues encountered. Over the last several decades, with the growth of personal computers, handheld devices, and the World Wide Web, the handwritten logbook has begun to be replaced by electronic logbooks. This transition has brought increased capability such as supporting multi-media, hypertext, and fast searching. However, content creation and metadata (a set of data that describes and gives information about other data) capturing has for the most part remained a manual activity just as it was with handwritten logbooks. This has led to a fragmentation of data, processing, and annotation that has only accelerated as scientific workflows continue to increase in complexity. From a scientific perspective, it is very important to be able to understand the lineage of any piece of data: who, what, when, how, and why. This is typically referred to as data provenance. The fragmentation discussed previously often means that data provenance is lost. As scientific workflows move to powerful computers and become more complex, the ability to track all of the steps involved in creating a piece of data become even more difficult. It was the goal of the MPO (Metadata, Provenance, Ontology) Project to create a system (the MPO System) that allows for automatic provenance and metadata capturing in such a way to allow easy searching and browsing. This goal needed to be accomplished in a general way so that it may be used across a broad range of scientific domains, yet allow the addition of vocabulary (Ontology) that is domain specific as is required for intelligent searching and browsing in the scientific context. Through the creation and deployment of the MPO system, the goals of the project were achieved. An enhanced metadata, provenance, and ontology storage system was created. This was combined with innovative methodologies for navigating and exploring these data using a web browser for both experimental and simulation-based scientific research. In addition, a system to allow scientists to instrument their existing workflows for automatic metadata and provenance is part of the MPO system. In that way, a scientist can continue to use their existing methodology yet easily document their work. Workflows and data provenance can be displayed either graphically or in an electronic notebook format and support advanced search features including via ontology. The MPO system was successfully used in both Climate and Magnetic Fusion Energy Research. The software for the MPO system is located at https://github.com/MPO-Group/MPO and is open source distributed under the Revised BSD License. A demonstration site of the MPO system is open to the public and is available at https://mpo.psfc.mit.edu/. A Docker container release of the command line client is available for public download using the command docker pull jcwright/mpo-cli at https://hub.docker.com/r/jcwright/mpo-cli.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

R and DE Robotic Sensor Intern Team: Advanced Sensor Suite Prototype

The Department of Energy (DOE) nuclear complex includes many hazardous and challenging environments that must be inspected remotely and routinely for structural integrity evaluation and long-term planning purposes. The H-Canyon Air Exhaust (HCAEX) Tunnel is an example of such an environment where a biannual inspection is currently performed. Presently inspections are performed by teleoperated robotic crawlers which provide low-res video feedback to the structural engineers. Advanced sensors: including Lidar and panospheric hi-res cameras have the potential to provide additional valuable data in future inspections. The primary goal of the sensor suite is to provide an internal 3D map of the HCAEX tunnel. Possible sensors were a stereo camera, a 3D Lidar, or a 2D Lidar that would need to be spun around. The issues with the stereo camera were that it does not have a large field-of-view and that its depth information was not nearly as accurate as even the baseline Lidars. The Hokuyo UTM-30LX-EW shown below provides a 270 deg. FOV with high accuracy and resolution while the largest FOV on a 3D Lidar is 40 deg. This was the reason a 2D Lidar was chosen over the 3D Lidar. Even though the 2D Lidar requires additional components and software to generate a 3D map, its FOV advantage is too great given that the HCAEX tunnel is a relatively confined space. Along with the Lidar, a camera sensor, IMU sensor, pan-tit unit, and on board computer needed to be identified. The two panospheric cameras allow for full 360 deg. FOV. The IMU will give data on the state of the robot inside the tunnel. The computer is used to gather and process data on board and to control the pan-tilt system. Mounts were designed and 3D printed to build the prototype of the sensor suite. It was designed to have the Lidar on top With its full FOV free while having the camera below and as close to together as possible while still leaving much of their FOV visible. The design also managed the cables such that they were unlikely to be damaged if in tension and so that they did not intrude much on the cameras vision. The sensor tree developed for the H-Canyon tunnel inspection project produces a large quantity of camera and Lidar data. a postprocessing pipeline was created to facilitate the analysis of these data. The pipeline follows the following routine: 1) Registration - Salient local features in subsequent scans are identified and used to align the scans With one another. This allows production of a single cohesive map of the tunnel. 2) Sensor Fusion - RGB camera data is 'painted' onto the depth data created by the Lidar. 3) Segmentation - Individual surfaces from within the scene are segmented out separately for individual analysis. 4) Degradation Analysis - Automatic mapping of local deviation from the plane in position or surface normal is performed, as is detection of exposed rebar using Lidar return intensity. 2) Obstacle Detection - Lidar data is also used in real time to detect obstacles in the environment. This could give feedback to the operator to successfully drive in the tunnel. 6) Graphic User Interface - a custom GUI was created to facilitate customer use of the system. The system provides real-time feedback from both the cameras and Lidar. The Lidar point-cloud data is also used for obstacle detection. As the Lidar spins, various algorithms are run to analyze the current 'slice' and obstacles in the environment are determined and registered on a cost-map. A Graphical User Interface (GUI) was developed to allow the user to easily command the crawler to set the rotational speed of the Lidar, perform a scan, and register and save the 3D generated cloud after a scan is done. For the good of the crawler, a critical aspect of the GUI design is to allow the user to cancel a scan any time after it is commanded and before it is saved. The sensor trees depth accuracy was evaluated in comparison to a high end commercial FARO Terrestrial Laser Scanner (TLS) with specifications for millimeter accuracy at distances above 10 m. For the purposes of these tests, the depth measurements produced by the TLS were taken as ground truth. Example test wall panels were scanned with the TLS and postprocessed with its proprietary software, and subsequently scanned with the sensor tree system. The two scans were manually aligned and for each point in the output cloud from the sensor tree, the distance to the nearest ground truth point in the FARO cloud was determined. 98.7% of all produced points were within the specified target range of 6 mm, with an average deviation of 1.75 mm. The test walls used have an overall in-wall depth variation of around 40 mm.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2026

ACDC (Automated Campbell Diagram Code) [SWR-26-042]

This application provides a web-based graphical user interface to generating Campbell Diagrams and visualizing mode shapes for OpenFAST turbine models. Determining the aeroelastic stability and dynamic characteristics of wind turbines is a critical step in turbine design and analysis. Historically, extracting natural frequencies and mode shapes from OpenFAST—the industry-standard whole-turbine simulation code—has been a fragmented and tedious process. It required manual model configuration, command-line linearization execution, and complex post-processing via proprietary scripts to handle rotating-frame dynamics. To address these workflow bottlenecks, we present the Automated Campbell Diagram Code (ACDC), an open-source graphical software tool developed by the National Laboratory of the Rockies (NLR) under the DOE-funded Distributed Wind Aeroelastic Modeling (dWAM) project. ACDC streamlines the end-to-end linearization and stability analysis workflow into a single, intuitive cross-platform application. The software guides users through OpenFAST model configuration, definition of operating points, and the automated execution of steady-state trim and linearization simulations. Under the hood, ACDC automates the complex mathematical post-processing steps required for rotating systems, including Multi-Blade Coordinate (MBC) transformations, eigenanalysis, and advanced modal tracking utilizing the Modal Assurance Criterion (MAC) and spectral clustering. Finally, ACDC processes these results to automatically generate Campbell diagrams and features a robust 3D visualization engine to animate full-system mode shapes. By eliminating the reliance on external post-processing environments and manual data manipulation, ACDC significantly accelerates dynamic analysis and lowers the barrier to entry for wind energy researchers and engineers.

Summerville, Brent [National Laboratory of the Roc↗

DOE OSTI2019

Data-driven cyber attack detection and mitigation for decentralized wide-area protection and control in smart grids

Modern power systems have already evolved into complicated cyber physical systems (CPS), often referred to as smart grids, due to the continuous expansion of the electrical infrastructure, the augmentation of the number of heterogeneous system components and players, and the consequential application of a diversity of information and telecommunication technologies to facilitate the Wide Area Monitoring, Protection and Control (WAMPAC) of the day-to-day power system operation. Because of the reliance on cyber technologies, WAMPAC, among other critical functions, is prone to various malicious cyber attacks. Successful cyber attacks, especially those sabotage the operation of Bulk Electric System (BES), can cause great financial losses and social panics. Application of conventional IT security solutions is indispensable, but it often turns out to be insufficient to mitigate sophisticated attacks that deploy zero-day vulnerabilities or social engineering tactics. To further improve the resilience of the operation of smart grids when facing cyber attacks, it is desirable to make the WAMPAC functions per se capable of detecting various anomalies automatically, carrying out adaptive activity adjustments in time and thus staying unimpaired even under attack. Most of the existing research efforts attempt to achieve this by adding novel functional modules, such as model-based anomaly detectors, to the legacy centralized WAMPAC functions. In contrast, this dissertation investigates the application of data-driven algorithms in cyber attack detection and mitigation within a decentralized architecture aiming at improving the situational awareness and self-adaptiveness of WAMPAC. First part of the research focuses on the decentralization of System Integrity Protection Scheme (SIPS) with Multi-Agent System (MAS), within which the data-driven anomaly detection and optimal adaptive load shedding are further explored. An algorithm named as Support Vector Machine embedded Layered Decision Tree (SVMLDT) is proposed for the anomaly detection, which provides satisfactory detection accuracy as well as decision-making interpretability. The adaptive load shedding is carried out by every agent individually with dynamic programming. The load shedding relies on the load profile propagation among peer agents and the attack adaptiveness is accomplished by maintaining the historical mean of load shedding proportion. Load shedding only takes place after the consensus pertaining to the anomaly detection is achieved among all interconnected agents and it serves the purpose of mitigating certain cyber attacks. The attack resilience of the decentralized SIPS is evaluated using IEEE 39 bus model. It is shown that, unlike the traditional centralized SIPS, the proposed solution is able to carry out the remedial actions under most Denial of Service (DoS) attacks. The second part investigates the clustering based anomalous behavior detection and peer-assisted mitigation for power system generation control. To reduce the dimensionality of the data, three metrics are designed to interpret the behavior conformity of generator within the same balancing area. Semi-supervised K-means clustering and a density sensitive clustering algorithm based on Hierarchical DBSCAN (HDBSCAN) are both applied in clustering in the 3D feature space. Aiming to mitigate the cyber attacks targeting the generation control commands, a peer-assisted strategy is proposed. When the control commands from control center is detected as anomalous, i.e. either missing or the payload of which have been manipulated, the generating unit utilizes the peer data to infer and estimate a new generation adjustment value as replacement. Linear regression is utilized to obtain the relation of control values received by different generating units, Moving Target Defense (MTD) is adopted during the peer selection and 1-dimensional clustering is performed with the inferred control values, which are followed by the final control value estimation. The mitigation strategy proposed requires that generating units can communicate with each other in a peer-to-peer manner. Evaluation results suggest the efficacy of the proposed solution in counteracting data availability and data integrity attacks targeting the generation controls. However, the strategy stays effective only if less than half of the generating units are compromised and it is not able to mitigate cyber attacks targeting the measurements involved in the generation control.

24 POWER TRANSMISSION AND DISTRIBUTION↗