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At least 109 records · Page 6

Algorithm-guided experimentation for autonomous AI systems in self-driving laboratories

This presentation summarizes our work in the PrOMMiS project on benchmarking of data-driven optimization algorithms and their applications in self-driving laboratories. This work supports the broader project goal of accelerating the identification of promising separation methods and operating conditions for critical minerals separation processes. We present a systematic benchmarking study of 42 data-driven optimization algorithms on a broad collection of 502 test problems. The results identify BAM, GLCCLUSTER, and MULTIMIN as the most effective optimization solvers, with BAM showing the highest overall performance and solving more than 80% of the benchmark problems. The study also shows that no single solver consistently outperforms the others across all problem types, indicating that our future laboratory applications may benefit from using a small set of strong solvers rather than relying on a single method. The presentation also illustrates an in-silico chemical reactor case study showing that data-driven optimization methods can guide autonomous experimentation in a self-driving laboratory and identify optimal operating conditions within a small number of experiments. Overall, the results provide a basis for selecting efficient optimization methods and demonstrate the practical use of data-driven optimization in self-driving laboratory workflows.

36 MATERIALS SCIENCE

Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles

Off-road vehicles, such as wheel loaders, excavators, and harvesters, are extensively utilized across a wide range of industries, including construction, agriculture, and mining. These machines have become indispensable in supporting the day-to-day operational needs of a nation, playing a critical role in various sectors' infrastructure and productivity. However, despite their utility, off-road vehicles are significant consumers of fossil fuels, resulting in substantial emissions that contribute to environmental degradation. This highlights the pressing need for research and technological advancements aimed at improving their energy efficiency and reducing their carbon footprint. There are, however, two primary challenges that must be addressed to achieve these goals. First, off-road vehicles typically perform both driving and working tasks simultaneously, which introduces a high level of complexity into their overall dynamic systems. Analysis the interactions between these functions is challenging. Second, research into off-road vehicles is inherently interdisciplinary, demanding expertise across several domains such as fluid power systems, vehicle dynamics, control theory, optimization techniques, and real-world implementation. Recognizing these challenges, we proposed the project titled "Optimization and Evaluation of Energy Savings for Connected and Autonomous Off-Road Vehicles" as a comprehensive solution to enhance fuel efficiency while simultaneously improving productivity. This project specifically focuses on autonomous off-road vehicles, with particular attention to wheel loaders, and seeks to develop novel methods to optimize energy consumption without sacrificing operational performance. The project integrates real-time control algorithms, vehicle dynamics modeling, and co-optimization of powertrain system and vehicle system to achieve these goals. Our optimization strategy dynamically co-optimizes critical parameters at both the powertrain and vehicle levels, including vehicle speed, working tool movements, powertrain dynamics, and engine operations in real-time. To streamline this optimization process, we developed a vehicle model that captures the key dynamics while significantly enhancing computational efficiency. This allows the system to intelligently minimize fuel consumption, all while maintaining or even improving productivity through real-time calculations during various off-road operations. To validate the effectiveness of this energy optimization method, we introduced a state-of-the-art Hardware-in-the-Loop (HIL) testbed. This reconfigurable testbed seamlessly integrates the actual engine with virtual models of the wheel loader's subsystems, allowing for accurate emulation of real-world operational loads and environments. By simulating these conditions, the HIL testbed enables us to evaluate the wheel loader’s performance under diverse working scenarios, ensuring the developed solution is applicable in real-world operations. This testbed proved to be instrumental in validating the optimization algorithms and demonstrating the system's practical effectiveness. During the evaluation and testing phase, we employed the HIL testbed to rigorously assess the energy savings and productivity improvements generated by the optimized system. The results were highly encouraging, revealing that the automated wheel loader achieved over 30% fuel savings compared to traditional, human-operated cycles, with comparable or even enhanced levels of productivity. The insights gained from this HIL-based testing provided critical validation of our approach and highlighted the potential for deploying these optimized autonomous technologies in real-world off-road vehicles.

33 ADVANCED PROPULSION SYSTEMS

Intern Poster Session 08/13: Autonomous Nuclear Robotics: Applications in nuclear waste inspection and hot cell experiments

The nuclear industry is experiencing renewed interest in autonomous robotics, yet most deployed systems remain teleoperated with limited autonomy. This work presents two contributions toward fully autonomous nuclear robotic systems: autonomous waste inspection at the Hanford Site and an autonomous hot cell laboratory framework. Inspections of Hanford's underground waste storage tanks are performed manually at significant cost and personnel exposure. We developed a reinforcement-learning (RL) training pipeline for a custom-built inspection arm. In parallel, we are designing an autonomous laboratory framework for post-irradiation examination in hot cells at the Specimen Preparation Laboratory (SPL) that integrates computer vision, task and motion planning, hardware execution, and operator-in-the-loop control. These systems demonstrate a path toward safer, more efficient nuclear operations by reducing human exposure while maintaining rigorous human oversight at critical decision points.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS

A Behavior Tree Approach for Battery-Aware Inspection of Large Structures Using Drones

Electric multi-rotor drones have been used to inspect several structures, including large buildings and dams. In these inspections, energy consumption is a concern. To prevent the drone from running out of battery, commercial drones usually come back to their home position when the battery level reaches a minimum threshold. The pilots then need to replace the battery and use their own experience to restart the inspection mission approximately from where it ended before the drone returned home. Instead of relying on the human operator, in this paper, we automate this process using behavior trees, which is an effective way to perform autonomous mission control and supervision. By integrating battery management strategies into a behavior tree framework, this paper demonstrates the drone’s adaptive and resilient decision-making when confronted with limited power constraints. We implemented our methodology using a commercial drone and tested the proposed ideas in a photogrammetry-based inspection task.

42 ENGINEERING

Automated Inspection of Criticality Control Overpacks for Surplus Plutonium Disposition: Qualification Update – 25313

In an effort to reduce the amount of nuclear waste in South Carolina, the Department of Energy (DOE) tasked the Savannah River Site (SRS) with diluting and disposing of the amount of plutonium in the state. This process involves the movement and shipment of over 100,000 criticality control overpacks (CCOs) throughout the project lifespan, lending itself to the use of automation to reduce worker radiation exposure and more efficiently utilize human capital. Due to the large scope, this overarching process was broken down into several different “automation projects” to be developed. The first opportunity pursued was the receipt and inspection of empty CCO drums coming into SRS, identified as Automation Project 1 (AP1), and is the focus of this paper. AP1 was developed to unpack incoming CCOs and inspect them for unwanted foreign objects and any damage to the drum or its contents. This process is accomplished by the combination of an automated guided vehicle (AGV) that delivers CCOs to a robotic arm which uses a suite of custom tools to disassemble a CCO, inspect the inside and outside of the CCO and its inner criticality control container (CCC), reassemble the CCC and CCO, and apply a tamper indicating device (TID) to the inspected drum. In past years, the robotic work cell had been developed in a small-scale testing facility for proof-of-concept. This year, major improvements were made to the robotic work cell to perform the process, including integration into the final facility where CCOs will be inspected. Other technical improvements include the implementation of sensor feedback and safety relays into the control system to allow the state of the work cell to be better tracked, and additional development of the TID application process to complete the robotic inspection. Further enhancements were made to the robotic vision processes and robot pathing, as well as development on a computer vision inspection process to detect inspection criteria anomalies in CCOs. In addition to developmental improvements, the work cell underwent a six-month testing period to ensure the project requirements were met. Results of this testing period demonstrate the work cell’s capability to meet project throughput goals at an acceptable level, successfully document the status of each CCO inspected, and reduce the toll on technical operations’ human power by two thirds. At the time of this paper, the work cell is capable of autonomously handling up to eight CCOs with an AGV, delivering CCOs to and from the robot work cell, and having a robotic arm perform a full receipt and inspection procedure on each CCO. Moving forward, repeatability will be improved so that these CCOs can be run back-to-back seamlessly, as well as improving the system to handle more significant edge cases and failure modes.

Spivey, Nicholas

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

36 MATERIALS SCIENCE

Autonomous Utility Pole Identification

The implementation of small unmanned aerial systems (sUAS) for the purpose of powerline inspection is an emerging concept among utility companies. Such operations can produce a significant amount of useful data for the purpose of training different machine learning models or keep track of the integrity of electrical infrastructure. As such, this system is developed for the purpose of properly cataloging and leveraging this collected data.

24 POWER TRANSMISSION AND DISTRIBUTION

Towards Autonomous Experiments by Connecting High Performance Microscopy with High Performance Computing

The digitization of controls, data, and analysis in microscopy is bringing the idea of autonomous microscopes closer to reality than ever before. Automated transmission electron microscopy (TEM) is already fairly routine for some experiments the only require simple repetitive tasks such as imaging biological macromolecules for single particle cryoEM [1], tilt series for electron tomography [2], and movies for crystallography [3]. The vast majority of TEM experiments are conducted completely by human operators who choose the regions of interest, optimize experimental parameters, and make decisions about data quality visually during an experiment. The field is still a long way from having completely autonomous TEMs that can adapt to sample difficulties and tune experimental parameters based on data quality and desired experimental outcomes. Part of the issue is the lack of capability for feeding information learned from on-line, live data analysis back into the on-going experiment [4]. Furthermore, this presentation will discuss current capabilities for large scale data reduction and analysis using high performance computing (i.e. supercomputing) and progress towards developing a true feed-back loop that places data analysis and theory in the experimental loop.

97 MATHEMATICS AND COMPUTING

First ARM Mobile Facility (AMF1) Aerosol Observing System (AOS01) Instrument Handbook

The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility Mobile Aerosol Observing System – Aerosols (MAOS-A), designated AOS01, entered service in March of 2012 at the Los Alamos National Laboratory for the Pajarito Aerosol Coupling to Ecosystems (PACE) field campaign. The Aerosol Observing System is meant to be a standalone, completely autonomous, aerosol sampling system. It requires only power, 208VAC 1φ or 440 VAC 1φ, and an internet connection to be operational. The physical structure is a standard-sized shipping container, 20 feet long by 8 feet wide. Inside, the walls, ceiling, and floor are insulated using >3.5” of spray polyurethane foam with an R-value of 6.2/inch of insulation. The interior walls, floor and ceiling are lined with ¾” plywood for durability and have integrated unistrut for mounting equipment.

54 ENVIRONMENTAL SCIENCES

Fast Photoactuation Driven by Supramolecular Polymers Integrated into Covalent Networks

Abstract The design of robotic soft matter capable of emulating the complex movements of living organisms such as mechanical actuation, shape transformation, and autonomous translation remains a grand challenge in soft materials science. Functionalized hydrogels are excellent candidates for such materials since they can operate in water and are highly responsive to their environment, but their response times can be slow. This work investigates fast photoactuation of hybrid bonding hydrogels composed of peptide amphiphile (PA) supramolecular nanofibers bonded covalently to merocyanine‐based (MCH + ) photoresponsive networks. By incorporating ionizable acrylic acid (AA) co‐monomers in these networks, photoactuation at nearly neutral pH is observed, which in turn enables a new mechanism to accelerate the response by triggering the bundling of supramolecular nanofibers by rapid proton exchange reactions. Furthermore, this rapid response and its consequent large shape transformations lead to hydrogels capable of spontaneously tracking external light sources inspired by pedicellariae, defensive organs present in echinoderms like the starfish and the sea urchin. This work suggests that hybrid bonding polymers (HBPs), which leverage the interplay between supramolecular assemblies and covalent networks, offer novel strategies to design rapidly actuating soft robotic materials.

Cezan, S. Doruk

Adaptive Reinforcement Learning (ARL) Control of a Multi-port Resonant Converter in UAV Systems

This study presents an adaptive reinforcement learning (ARL) control framework for a multi-port resonant converter used in hybrid unmanned aerial vehicle (UAV) power systems. The converter integrates high-frequency half-bridge input ports connected to a rectified engine–generator set and a battery energy storage system, along with a semi-bridgeless active rectifier supplying the propulsion load. A deep RL agent is trained to dynamically regulate inter-port phase-shift commands in real time based on flight conditions and load power demand. The ARL controller autonomously identifies phase-shift combinations that maximize conversion efficiency while maintaining stable and coordinated power flow, even under rapidly varying operating scenarios. This data-driven approach eliminates the need for explicit system modeling or extensive manual tuning and enables coordinated control among multiple power ports without inter-port communication. Experimental results validate that the ARL based strategy achieves reliable power sharing and consistently high-efficiency operation across diverse UAV operating conditions.

Asa, Erdem [ORNL] (ORCID:0000000190884812)

Self-Healing Cements with Improved Toughness at Casing and Formation Interfaces for Subsurface Applications (CRADA 530)

Over the three-year CRADA, Pacific Northwest National Laboratory (PNNL) advanced a new class of Molecular Velcro™ self-healing wellbore cements designed to improve the long-term integrity of wells used for geothermal energy production and carbon storage. Conventional wellbore cement can crack due to repeated mechanical loading, temperature swings, and exposure to aggressive subsurface fluids. Once cracks form, they can create leakage pathways, drive expensive remediation (“workovers”), and in extreme cases shorten well life. This project addressed that problem by developing polymer-modified cement systems that can autonomously re-seal cracks and better tolerate the extreme conditions experienced in subsurface wells, while remaining compatible with practical cementing operations.

15 GEOTHERMAL ENERGY

Autonomous Anomaly Detection For Continuous Streams

The code implements the Isolation Forest (IFML) algorithm within the digital twin (DT) of the AGN-201 nuclear reactor. The DT captures real-time operational data including control rod positions, reactor power, and temperature. The IFML model isolates anomalies by detecting patterns that deviate from expected operational behavior. The algorithm recursively partitions the data and assigns anomaly scores based on the isolation of rare and different events. By tuning parameters specific to the reactor’s operational data, the IFML identifies deviations such as unauthorized material insertions or reactor reactivity shifts. The system streams data using LabView and integrates with the DeepLynx data warehouse for anomaly processing.

Trevino, Eduardo

BMINN: Learning chemical potentials and parameters from voltage data for multi-phase battery modeling

Free-energy landscapes and chemical potentials govern the dynamics of phase transitions, transport, and stability in functional materials, yet they remain experimentally inaccessible under realistic operating conditions. Here we introduce a Bayesian model-integrated neural network (BMINN) that embeds physics-based formulations of non-autonomous partial differential-algebraic equations into probabilistic learning. This approach reconstructs hidden thermodynamics directly from macroscopic current-voltage data, providing quantitative access to metastable states, staging transitions, and energy barriers without synchrotron probes. Demonstrated on lithium-graphite electrodes, BMINN recovers full Gibbs free-energy landscapes with fidelity validated against operando X-ray diffraction. The framework generalizes across dynamical regimes, enabling accurate voltage prediction, internal state estimation, and inference of governing parameters. Beyond batteries, BMINN exemplifies a broadly applicable strategy for learning missing physics in multiphase, non-equilibrium systems, offering a new pathway to uncover hidden thermodynamic functions across condensed matter and materials physics.

25 ENERGY STORAGE

Autonomous alloy composition optimization using molecular dynamics guided by a large language model

Here, we present an autonomous materials discovery framework that couples a large language model (LLM) with molecular dynamics (MD) simulations to optimize Fe–Cr–Mn alloy compositions for tensile strength. Starting from six distinct compositions, the LLM operated as an intelligent agent, iteratively proposing changes based on prior simulation results and constraints. Over 50 iterations per case, the LLM adaptively explored the composition space, identifying high-strength regions, not easily accessible by conventional methods. The highest strength, 18.7 GPa, was achieved with Fe 71 Cr 25 Mn 4 composition, identified from a Fe 75 Cr 20 Mn 5 starting point. The LLM autonomously adjusted its strategy in real time, demonstrating closed-loop decision-making using commodity hardware. This approach showcases the potential of LLMs as scientific co-pilots, capable of accelerating materials discovery and generalizable to other domains like biology and drug design.

Autonomy

Enhancing Grid Resilience with HIVE: Decentralized V2G Coordination for Black Starts

This paper proposes the HIVE (Harmonized Integration of Vehicle Energy for Grid Support) model, a novel game-theoretic framework for decentralized coordination of electrified vehicles to enable black start and load restoration during grid outages. In the absence of a central controller, HIVE employs a cooperative game to model vehicle interactions, allowing autonomous decision-making while admitting to a Nash equilibrium for grid restoration. The framework addresses the heterogeneity of vehicles and their operational constraints, selecting a lead vehicle for grid-forming and coordinating grid-following vehicles to support prioritized loads. Applied to a hospital blackout scenario, HIVE demonstrates robust performance in forming an islanded microgrid and sustaining critical loads under varying vehicle availability, state of charge, and power constraints. Simulation results highlight the model’s effectiveness in ensuring decentralized coordination of energy allocation and prioritizing loads, offering a scalable solution for resilient grid operations.

32 - ENERGY CONSERVATION, CONSUMPTION, AND UTILIZA

Autonomous phototaxis of hydrogel swimmers

The design of synthetic soft matter capable of emulating the complex behaviors of living organisms, such as sensing and adapting to their environment, remains an important challenge in developing biomimetic materials. Functionalized hydrogels are ideal candidates for such materials since they are highly responsive to their environment and can be operated in water. In this work, we investigate a hybrid bonding hydrogel composed of peptide amphiphile supramolecular nanofibers covalently attached to a photoresponsive network, in which high-aspect-ratio ferromagnetic nanowires are aligned along the length of the sample, designed to swim under oscillating magnetic fields. This hybrid hydrogel swimmer can autonomously swim toward a light source by utilizing photoinduced interactions between supramolecular and covalent networks reminiscent of phototactic swimming in living systems. Using a combination of experimental techniques and a continuum model incorporating photochemistry, magnetoelasticity, and hydrodynamics, we explain the swimming mechanism and predict phototactic behavior. Our work highlights the potential role of hybrid bonding polymers, which leverage the interplay between supramolecular assemblies and covalent networks. We demonstrate how these polymers can be tailored to react dynamically to their environment, paving the way for developing intelligent and autonomous robotic systems.

Science & Technology - Other Topics

Grid Resiliency with a 100% Renewable Microgrid

San Diego Gas & Electric Company (SDG&E) installed America’s first and largest utility-scale microgrid in Borrego Springs in 2013. The first generation Borrego Springs Microgrid utilized diesel generators to form and stabilize the microgrid island, with support from grid-scale batteries and local solar photovoltaic (PV) generation. In this project, SDG&E in partnership with National Renewable Energy Laboratory (NREL) demonstrated through modeling, simulation and utility field testing that blackstart and islanding of the microgrid can be led with 100% renewable, inverter based resources (IBRs), to help reduce community reliance on conventional generation resources. Through equipment upgrades, grid-forming island leader capability was transitioned to a battery IBR instead of the Borrego Springs Microgrid diesel generators. A new microgrid controller was integrated to the microgrid and programmed to control and manage multiple energy storage systems. Synchrophasor and other power quality data verified autonomous, high-speed response of the IBRs through blackstart, islanding, and load step testing. Results of project field evaluations provide distribution systems operators (DSO) with increased confidence that renewable, IBR can replace traditional generators to blackstart and island microgrids and rapidly establish stable island frequency with rapid changes in peak power demand. Importantly, the project validated the integration feasibility of a distributed energy resource management system (DERMS) controller that manages multiple grid-forming and grid-following IBRs, establishing a standard design interface to reduce the complexity of integrating new DERs in the future and supporting replication by the industry. As a result of learnings in this project, SDG&E has implemented the microgrid controller strategy at multiple other microgrid sites, thereby validating the replicability of the solution. Hardware-in-the-loop (HIL) simulations including power and controller HIL hardware — along with electromagnetic transient (EMT) simulations of Borrego Springs Microgrid —informed adjustments to inverter parameters and were important to characterize the performance of the IBRs in relevant operating conditions before deployment. The EMT and HIL simulations of islanding the entire community are important contributions in providing confidence in IBR performance prior to future islanding of the community in the field. High-fidelity EMT and/or HIL simulation of IBRs can de-risk field operations, and its relevance and importance as a tool is increasing as distribution grids and microgrids become more complex and dynamic with an increasing proportion of renewable generation, distributed energy storage, and two-way power and energy flows.

24 POWER TRANSMISSION AND DISTRIBUTION