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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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DOE OSTI2023

Artificial intelligence for materials research at extremes

Abstract Materials development is slow and expensive, taking decades from inception to fielding. For materials research at extremes, the situation is even more demanding, as the desired property combinations such as strength and oxidation resistance can have complex interactions. Here, we explore the role of AI and autonomous experimentation (AE) in the process of understanding and developing materials for extreme and coupled environments. AI is important in understanding materials under extremes due to the highly demanding and unique cases these environments represent. Materials are pushed to their limits in ways that, for example, equilibrium phase diagrams cannot describe. Often, multiple physical phenomena compete to determine the material response. Further, validation is often difficult or impossible. AI can help bridge these gaps, providing heuristic but valuable links between materials properties and performance under extreme conditions. We explore the potential advantages of AE along with decision strategies. In particular, we consider the problem of deciding between low-fidelity, inexpensive experiments and high-fidelity, expensive experiments. The cost of experiments is described in terms of the speed and throughput of automated experiments, contrasted with the human resources needed to execute manual experiments. We also consider the cost and benefits of modeling and simulation to further materials understanding, along with characterization of materials under extreme environments in the AE loop. Graphical abstract AI sequential decision-making methods for materials research: Active learning, which focuses on exploration by sampling uncertain regions, Bayesian and bandit optimization as well as reinforcement learning (RL), which trades off exploration of uncertain regions with exploitation of optimum function value. Bayesian and bandit optimization focus on finding the optimal value of the function at each step or cumulatively over the entire steps, respectively, whereas RL considers cumulative value of the labeling function, where the latter can change depending on the state of the system (blue, orange, or green).

36 MATERIALS SCIENCE↗

DOE OSTI2024

3D high-fidelity automated neutronics guided optimization of fusion blanket designs

The compact Fusion Pilot Plant (FPP) is defined in the recent National Academies of Sciences, Engineering, and Medicine report as the next step of fusion energy demonstration with a $50$ MWe peak net electricity production, $Q_e$ greater than $1$, and at least $3$ hours of continuous operation. This fusion pilot plant will be a test bed enabling materials, designs, and fuel management assessment, and it will represent an engineering challenge because of its high-fusion power and compact design targets. Previous reactor data is limited to experiments operating in different design space ranges. Therefore, design iterations and assessments should rely on high-fidelity first-principle theoretical and computational models. The high-fidelity integrated modeling of the plasma is a fundamental part of fusion energy research. However, the whole device modeling is often neglected, utilizing low-fidelity, system-level analysis. Recently, the need for high-fidelity multi-physics modeling was recognized, resulting in a selection of integrated tools. Further, autonomous design optimization requires a streamlined framework that perturbs the design point, reruns the analysis, and examines the outputs. However, high-fidelity analysis requires complex geometry specification that is difficult to perturb. This work presents the parametric CAD generation tool TRACER and a new neutronic workflow. TRACER allows the perturbation of the geometry representation, creating geometry files ready for further analysis. The streamlined neutronic workflow allows efficient and accurate calculations. The two new tools coupled together were used to perform a 3D high-fidelity multi-objective, multi-input optimization of an "ARC Class" compact tokamak design. The workflow was driven by an optimization driver for full automation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Design Requirements and Software Specification for the Autonomous Energy Management Software System for Small Commercial Buildings

Commercial buildings are responsible for approximately 20 percent of the total United States energy consumption and greenhouse gas emissions. Over 85 percent of these buildings lack building automation systems. Many of these buildings are small (<50,000 square feet), underserved, and use rooftop units for heating, ventilation, and air-conditioning needs. Because these buildings lack proper energy management systems, they have several operational deficiencies that lead to excess energy consumption. Studies have shown that managing the rooftop units heating and cooling set points, schedules, setbacks, and optimal start can result in 20 to 25 percent reduction in electricity consumption in small commercial buildings. In addition, improving demand flexibility of these buildings will result additional cost savings for the building owner. Therefore, the Department of Energy’s Building Technologies Office approved a project to address the needs for small commercial buildings. The project is led by Pacific Northwest National Laboratory (PNNL) with Intellimation LLC as the cooperative research and development agreement partner. The primary goal of the project is to develop and validate an autonomous energy management software (AEMS) system that will continuously optimize small commercial building operations by minimizing energy consumption and cost, while providing a solution for maximizing decarbonization benefits from electrification of buildings. The work will leverage the vast experience of PNNL research and development staff who have over two decades of experience in developing and successfully transferring software technologies to the private sector. This solution will be jointly developed with Intellimation, a company that plans to use it to scale their building energy efficiency (EE) and grid services offering. Widespread deployment of the AEMS system will improve the EE and demand flexibility of the building commercial building stock. It should also support cities and states in meeting their climate change mitigation goals. This document describes the various EE and grid service features of the AEMS system, infrastructure and data required to implement those features, and how the features should be automated. It also details how the various features will be tested and validated, including field validation. The document also details what flexibility the users have and how they will be able to leverage those capabilities exercise those. The intent is to create an AEMS system that would support scalable deployment, requires minimal configuration, and is easy to maintain over its expected lifespan. The initial alpha release of AEMS system is planned for March 2023, and the beta release is planned for the summer of 2023. The final release is planned for March 2024. Section 2 of the report documents the relevant building types that AEMS is suitable for. Section 3 documents EE features that will be supported. It will also include the data requirements, hardware requirements, implementation details, and how EE features will be tested and validated. Grid service features will be documented in section 4, including data requirements, hardware requirements, implementation details, and how the services will be tested and validated. Planned next steps are described in section 5.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

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

Machine intelligence has the potential to revolutionize materials science, enabling autonomous synthesis, self-driving characterization, and accelerated modeling. However, despite the promise, successful implementation of these methods in day-to-day research remains a challenge. This talk will delve into the reasons behind this, exploring how truly intelligent experiments are hindered by opaque experiment control, a lack of domain-specific models, and human-centric design. Through a focus on the characterization of next-generation microelectronics and energy storage materials, I will share insights from both successful and failed attempts to implement machine intelligence. We will then explore the next steps necessary to unlock the full potential of machine intelligence in materials science, creating a future where intelligent systems work seamlessly alongside researchers to drive innovation and discovery.

36 MATERIALS SCIENCE↗

NASA NTRS2006

Using Planning, Scheduling and Execution for Autonomous Mars Rover Operations

With each new rover mission to Mars, rovers are traveling significantly longer distances. This distance increase raises not only the opportunities for science data collection, but also amplifies the amount of environment and rover state uncertainty that must be handled in rover operations. This paper describes how planning, scheduling and execution techniques can be used onboard a rover to autonomously generate and execute rover activities and in particular to handle new science opportunities that have been identified dynamically. We also discuss some of the particular challenges we face in supporting autonomous rover decision-making. These include interaction with rover navigation and path-planning software and handling large amounts of uncertainty in state and resource estimations. Finally, we describe our experiences in testing this work using several Mars rover prototypes in a realistic environment.

automated rover operations↗

NASA NTRS1996

A global spacecraft control network for spacecraft autonomy research

The development and implementation of the Automated Space System Experimental Testbed (ASSET) space operations and control network, is reported on. This network will serve as a command and control architecture for spacecraft operations and will offer a real testbed for the application and validation of advanced autonomous spacecraft operations strategies. The proposed network will initially consist of globally distributed amateur radio ground stations at locations throughout North America and Europe. These stations will be linked via Internet to various control centers. The Stanford (CA) control center will be capable of human and computer based decision making for the coordination of user experiments, resource scheduling and fault management. The project's system architecture is described together with its proposed use as a command and control system, its value as a testbed for spacecraft autonomy research, and its current implementation.

Kitts, Christopher A.↗

DOE OSTI2022

Deploying Traffic Smoothing Cruise Controllers Learned from Trajectory Data

Autonomous vehicle-based traffic smoothing con- trollers are often not transferred to real-world use due to challenges in calibrating many-agent traffic simulators. We show a pipeline to sidestep such calibration issues by collecting trajectory data and learning controllers directly from trajectory data that are then deployed zero-shot onto the highway. We construct a dataset of 772.3 kilometers of recorded drives on the I-24. We then construct a simple simulator using the recorded drives as the lead vehicle in front of a simulated platoon consisting of one autonomous vehicle and five human followers. Using policy-gradient methods with an asymmetric critic to learn the controller, we show that we are able to improve average MPG by 11% in simulation on congested trajectories. We deploy this controller to a mixed platoon of 4 autonomous Toyota RAV-4’s and 7 human drivers in a validation experiment and demonstrate that the expected time-gap of the controller is maintained in the real world test. Finally, we release the driving dataset [1], the simulator, and the trained controller at https://github.com/nathanlct/trajectory-training-icra.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2004

Effect of Palagonite Dust Deposition on the Automated Detection of Carbonate Vis/NIR Spectra

Currently Mars missions can collect more data than can be returned. Future rovers of increased mission lifetime will benefit from onboard autonomous data processing systems to guide the selection, measurement and return of scientifically important data. One approach is to train a neural net to recognize spectral reflectance characteristics of minerals of interest. We have developed a carbonate detector using a neural net algorithm trained on 10,000 synthetic Vis/NIR (350-2500 nm) spectra. The detector was able to correctly identify carbonates in the spectra of 30 carbonate and noncarbonate field samples with 100% success. However, Martian dust coatings strongly affect the spectral characteristics of surface rocks potentially masking the underlying substrate rock. In this experiment, we measure Vis/NIR spectra of calcite coated with different thicknesses of palagonite dust and evaluate the performance of the carbonate detector.

Gilmore, Martha S.↗

NASA NTRS1991

Autonomous rendezvous and docking: A commercial approach to on-orbit technology validation

The Space Automation and Robotics Center (SpARC), a NASA-sponsored Center for the Commercial Development of Space (CCDS), in conjunction with its corporate affiliates, is planning an on-orbit validation of autonomous rendezvous and docking (ARD) technology. The emphasis in this program is to utilize existing technology and commercially available components whenever possible. The primary subsystems that will be validated by this demonstration include GPS receivers for navigation, a video-based sensor for proximity operations, a fluid connector mechanism to demonstrate fluid resupply capability, and a compliant, single-point docking mechanism. The focus for this initial experiment will be expendable launch vehicle (ELV) based and will make use of two residual Commercial Experiment Transporter (COMET) service modules. The first COMET spacecraft will be launched in late 1992 and will serve as the target vehicle. The ARD demonstration will take place in late 1994, after the second COMET spacecraft has been launched. The service module from the second COMET will serve as the chase vehicle.

Tchoryk, Peter, Jr.↗

NASA NTRSDate not supplied

A Human-In-The-Loop Simulation for Urban Air Mobility in the Terminal Area

In this presentation we propose a human-in-the-loop experiment to study the potential impact of human engagement in tactical mitigation of delay in terminal area air taxi operations. The air taxi operations being considered herein is an advanced air transportation concept called Urban Air Mobility (UAM). The UAM concept aims to support not only air taxi operations, but also package delivery and emergency response among other use cases. The key innovation over current air transportation lies with the introduction of autonomous aircraft and autonomous air traffic management systems. Development of the UAM system will include transitional midterm phases where some operational services will be provided by a mixture of automation and human actors. Midterm operations present a unique challenge, since the scope of responsibility of automated systems is largely undefined, suggesting the need for direct human participation with little to inform how much human intervention is necessary. Here we assume that traffic management responsibilities require coordination between human actors and automated systems and focus on arrival flows for midterm operations. In the proposed human-in-the-loop simulation, virtual UAM traffic is strategically deconflicted by a Provider of Services for UAM at departure, then tactically managed by a human at the arrival facility. Generated traffic consists of UAM participants flying in UAM exclusive airspace structures, thus isolated from traditional traffic. The human operator is tasked with managing spacing of arrival traffic and executing speed adjustments as deemed necessary. We propose the investigation of three levels of automation assistance: 1) no assistance; 2) spacing violation detection; 3) spacing violation detection and speed adjustment recommendations. Quantitative measures like throughput and delay are used to assess the human's capacity for accommodating airborne delays. Qualitative evaluations such as surveys and open-ended feedback are used to gain insight into human factors. These factors could introduce additional capacity constraints on traffic, independent of physical or technical constraints. Although findings for this study will not be reported as the study has not yet been executed, we conclude with potential outcomes informed by previous simulations in the literature and suggestions for the structure and procedures of midterm human-automation air traffic management.

UAM↗

DOE OSTI2025

Automated RF Phase Adjustment for Beam Stabilization in the Fermilab Linac

The Fermilab Linac experiences longitudinal beam phase drift, leading to increased particle loss, conventionally corrected through labor-intensive manual RF adjustments. This project explores machine learning-based automation for drift correction, employing a prototype-based classification approach. Our model utilizes a 34-dimensional feature set (RF settings and BPM readings) and leverages a 7x27 response matrix for system modeling. To overcome limited real-world data, we generate synthetic data, enhancing model training and generalizability. Custom loss functions, including a surrogate energy-consistent loss and a temporal smoothness constraint, ensure physically plausible drift predictions. The goal is a robust system for autonomous phase adjustments, ensuring stable beam acceleration and reduced manual intervention.

Chichili, R. R. [Illinois U., Chicago]↗

NASA NTRS2012

Autonomous Operations Planner: A Flexible Platform for Research in Flight-Deck Support for Airborne Self-Separation

The Autonomous Operations Planner (AOP), developed by NASA, is a flexible and powerful prototype of a flight-deck automation system to support self-separation of aircraft. The AOP incorporates a variety of algorithms to detect and resolve conflicts between the trajectories of its own aircraft and traffic aircraft while meeting route constraints such as required times of arrival and avoiding airspace hazards such as convective weather and restricted airspace. This integrated suite of algorithms provides flight crew support for strategic and tactical conflict resolutions and conflict-free trajectory planning while en route. The AOP has supported an extensive set of experiments covering various conditions and variations on the self-separation concept, yielding insight into the system s design and resolving various challenges encountered in the exploration of the concept. The design of the AOP will enable it to continue to evolve and support experimentation as the self-separation concept is refined.

Karr, David A.↗

DOE OSTI2025

Automated RF Phase Adjustment for Beam Stabilization in the Fermilab Linac

The Fermilab Linac experiences longitudinal beam phase drift, leading to increased particle loss, conventionally cor- rected through labor-intensive manual RF adjustments. This project explores machine learning-based automation for drift correction, employing a prototype-based classification approach. Our model utilizes a 34-dimensional feature set (RF settings and BPM readings) and leverages a 7x27 response matrix for system modeling. To overcome limited real-world data, we generate synthetic data, enhancing model training and generalizability. Custom loss functions, including a sur- rogate energy-consistent loss and a temporal smoothness constraint, ensure physically plausible drift predictions. The goal is a robust system for autonomous phase adjustments, ensuring stable beam acceleration and reduced manual intervention.

Chichili, R. R. [U. Illinois, Chicago]↗

DOE OSTI2022

Supervisory Algorithm for Autonomous Hemodynamic Management Systems

Future military conflicts will require new solutions to manage combat casualties. The use of automated medical systems can potentially address this need by streamlining and augmenting the delivery of medical care in both emergency and combat trauma environments. However, in many situations, these systems may need to operate in conjunction with other autonomous and semi-autonomous devices. Management of complex patients may require multiple automated systems operating simultaneously and potentially competing with each other. Supervisory controllers capable of harmonizing multiple closed-loop systems are thus essential before multiple automated medical systems can be deployed in managing complex medical situations. The objective for this study was to develop a Supervisory Algorithm for Casualty Management (SACM) that manages decisions and interplay between two automated systems designed for management of hemorrhage control and resuscitation: an automatic extremity tourniquet system and an adaptive resuscitation controller. SACM monitors the required physiological inputs for both systems and synchronizes each respective system as needed. We present a series of trauma experiments carried out in a physiologically relevant benchtop circulatory system in which SACM must recognize extremity or internal hemorrhage, activate the corresponding algorithm to apply a tourniquet, and then resuscitate back to the target pressure setpoint. SACM continues monitoring after the initial stabilization so that additional medical changes can be quickly identified and addressed, essential to extending automation algorithms past initial trauma resuscitation into extended monitoring. Overall, SACM is an important step in transitioning automated medical systems into emergency and combat trauma situations. Future work will address further interplay between these systems and integrate additional medical systems.

42 ENGINEERING↗

DOE OSTI2026

AutoLabs: cognitive multi-agent systems with self-correction for autonomous chemical experimentation

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs approaches expert-authored reference procedures on the benchmark (F1-score > 0.89) on challenging multi-plate syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Autonomous hybrid optimization of a SiO 2 plasma etching mechanism

Computational modeling of plasma etching processes at the feature scale relevant to the fabrication of nanometer semiconductor devices is critically dependent on the reaction mechanism representing the physical processes occurring between plasma produced reactant fluxes and the surface, reaction probabilities, yields, rate coefficients, and threshold energies that characterize these processes. The increasing complexity of the structures being fabricated, new materials, and novel gas mixtures increase the complexity of the reaction mechanism used in feature scale models and increase the difficulty in developing the fundamental data required for the mechanism. This challenge is further exacerbated by the fact that acquiring these fundamental data through more complex computational models or experiments is often limited by cost, technical complexity, or inadequate models. In this paper, we discuss a method to automate the selection of fundamental data in a reduced reaction mechanism for feature scale plasma etching of SiO 2 using a fluorocarbon gas mixture by matching predictions of etch profiles to experimental data using a gradient descent (GD)/Nelder–Mead (NM) method hybrid optimization scheme. These methods produce a reaction mechanism that replicates the experimental training data as well as experimental data using related but different etch processes.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Automated Rendezvous and Capture System Development and Simulation for NASA

The United States does not have an Automated Rendezvous and Capture/Docking (AR and C) capability and is reliant on manned control for rendezvous and docking of orbiting spacecraft. This reliance on the labor intensive manned interface for control of rendezvous and docking vehicles has a significant impact on the cost of the operation of the International Space Station (ISS) and precludes the use of any U.S. expendable launch capabilities for Space Station resupply. The Soviets have the capability to autonomously dock in space, but their system produces a hard docking with excessive force and contact velocity. Automated Rendezvous and Capture/Docking has been identified as a key enabling technology for the Space Launch Initiative (SLI) Program, DARPA Orbital Express and other DOD Programs. The development and implementation of an AR&C capability can significantly enhance system flexibility, improve safety, and lower the cost of maintaining, supplying, and operating the International Space Station. The Marshall Space Flight Center (MSFC) has conducted pioneering research in the development of an automated rendezvous and capture (or docking) (AR and C) system for U.S. space vehicles. This AR&C system was tested extensively using hardware-in-the-loop simulations in the Flight Robotics Laboratory, and a rendezvous sensor, the Video Guidance Sensor was developed and successfully flown on the Space Shuttle on flights STS-87 and STS-95, proving the concept of a video- based sensor. Further developments in sensor technology and vehicle and target configuration have lead to continued improvements and changes in AR&C system development and simulation. A new Advanced Video Guidance Sensor (AVGS) with target will be utilized on the Demonstration of Autonomous Rendezvous Technologies (DART) flight experiment in 2004.

Roe, Fred D.↗

NASA NTRS1987

Monitoring robot actions for error detection and recovery

Reliability is a serious problem in computer controlled robot systems. Although robots serve successfully in relatively simple applications such as painting and spot welding, their potential in areas such as automated assembly is hampered by programming problems. A program for assembling parts may be logically correct, execute correctly on a simulator, and even execute correctly on a robot most of the time, yet still fail unexpectedly in the face of real world uncertainties. Recovery from such errors is far more complicated than recovery from simple controller errors, since even expected errors can often manifest themselves in unexpected ways. Here, a novel approach is presented for improving robot reliability. Instead of anticipating errors, researchers use knowledge-based programming techniques so that the robot can autonomously exploit knowledge about its task and environment to detect and recover from failures. They describe preliminary experiment of a system that they designed and constructed.

Gini, M.↗