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At least 163 records · Page 9

Beyond Optimization: Exploring Novelty Discovery in Autonomous Experiments

Autonomous experiments (AEs) are transforming how scientific research is conducted by integrating artificial intelligence with automated experimental platforms. Current AEs primarily focus on the optimization of a predefined target; while accelerating this goal, such an approach limits the discovery of unexpected or unknown physical phenomena. Here, we introduce a novel framework, INS 2 ANE (Integrated Novelty Score−Strategic Autonomous Non-Smooth Exploration), to enhance the discovery of novel phenomena in autonomous microscopy experimentation. Our method integrates two key components: (1) a novelty scoring system that evaluates the uniqueness of experimental results and (2) a strategic sampling mechanism that promotes exploration of under-sampled regions even if they appear less promising by conventional criteria. We validate this approach on a preacquired data set with a known ground truth comprising of image−spectral pairs. We further implement the process on autonomous scanning probe microscopy experiments. INS 2 ANE significantly increases the diversity of explored phenomena in comparison to conventional optimization routines, enhancing the likelihood of discovering previously unobserved phenomena. These results demonstrate the potential for autonomous microscopy experiments to enhance the scientific discovery by navigating complex experimental spaces to uncover novel phenomena.

Materials↗

Enabling a Physical Twin for Control Methods Evaluation

Advanced nuclear reactors play an important role in the energy future of the United States and the rest of the world. They are designed and operated based on a different model than that of the current operating fleet, thus enabling deployment in remote locations and allowing for safe semi-autonomous or autonomous operations. Such characteristics require the development of a new reactor control paradigm. A significant factor in the development of control technologies and methods is integration of the various technologies and methods with each other and with hardware (both reactor system hardware and control hardware). A recent workshop on control of advanced reactors identified the lack of a flexible, expandable software/hardware infrastructure to enable such integration as a key gap. A previous phase of the current effort involved developing and demonstrating the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND) platform, which is capable of integrating autonomous-control-enabling technologies and methods, without the constraints imposed by existing software solutions. This platform will enable advanced reactor developers to deploy and test any developed technologies and methods by employing a common framework, and to couple them with their own models and hardware. The present phase of this effort entails using the Microreactor Automated Control System (MACS) platform, which was developed by the U.S. Department of Energy (DOE) Microreactor Program, to serve as a control method testbed. MACS can be used by advanced reactor developers to integrate their control related research activities with any reactor system. For the present effort, MACS was customized to mirror Idaho National Laboratory (INL)’s Microreactor Applications Research Validation and Evaluation (MARVEL) microreactor, and COMMAND was leveraged to enable MACS to emulate the physics of MARVEL, thus positioning MACS as a physical twin of MARVEL.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fast Paced, Low Cost Projects at MSFC

What does an orbiting microsatellite, a robotic lander and a ruggedized camera and telescope have in common? They are all fast paced, low cost projects managed by Marshall Space Flight Center (MSFC) teamed with successful industry partners. MSFC has long been synonymous with human space flight large propulsion programs, engineering acumen and risk intolerance. However, there is a growing portfolio/product line within MSFC that focuses on these smaller, fast paced projects. While launching anything into space is expensive, using a managed risk posture, holding to schedule and keeping costs low by stopping at egood enough f were key elements to their success. Risk is defined as the possibility of loss or failure per Merriam Webster. The National Aeronautics and Space Administration (NASA) defines risk using procedural requirement 8705.4 and establishes eclasses f to discern the acceptable risk per a project. It states a Class D risk has a medium to significant risk of not achieving mission success. MSFC, along with industry partners, has created a niche in Class D efforts. How did the big, cautious MSFC succeed on these projects that embodied the antithesis of its heritage in human space flight? A key factor toward these successful projects was innovative industry partners such as Dynetics Corporation, University of Alabama in Huntsville (UAHuntsville), Johns Hopkins Applied Physics Laboratory (JHU APL), Teledyne Brown Engineering (TBE), Von Braun Center for Science and Innovation (VCSI), SAIC, and Jacobs. Fast Affordable Satellite Technology (FastSat HSV01) is a low earth orbit microsatellite that houses six instruments with the primary scientific objective of earth observation and technology demonstration. The team was comprised of Dynetics, UAHuntsvile, SAIC, Goddard Space Flight Center (GSFC) and VCSI with the United States Air Force Space Test Program as the customer. The team completed design, development, manufacturing, environmental test and integration in one year. FastSat HSV01 also deployed a Poly Picosatellite Orbital Deployer (PPOD) for a separate nano ]satellite class spacecraft (Cubesat: Nano Sail Demonstration) in partnership with Ames Research Center. The Robotic lunar lander is a MSFC JHU APL partnership that led to the development of a flexible architecture for landers to support robotic missions to a wide range of lunar and asteroid destinations. The team started with the goal of meeting NASA agency directives that led to the creation of a test bed focusing on GN&C and software to demonstrate the descent and landing on any airless body for the final 30 to 60 meters. The team created a complex technology demonstration as well as Guidance Control and Navigation (GN&C) algorithms providing autonomous control of the lander. The team uses a green propellant of 90% hydrogen peroxide and has completed 18 successful test flights. The International Space Station (ISS) SERVIR Environmental Research and Visualization System (ISERV) is a technology demonstration payload to assist the SERVIR project with environmental monitoring for disaster relief and humanitarian efforts. The ISERV project was a partnership with TBE. The ISERV payload consists of a commercial off the shelf camera, telescope, and MSFC developed power distribution box and interfaces on ISS with the Window Observational Research Facility in the US Lab. MSFC has identified three key areas that enabled the low cost mission success to include culture, partnering, and cost/schedule control. This paper will briefly discuss these three Class D efforts, FastSat HSV-01, the Robotic Lunar Lander and the ISERV camera system, the lessons learned, their successes and challenges.

Watson-Morgan, Lisa↗

Overview of a Methodology for Calculating the A Priori Scan Minimum Detectable Concentration for Post-Processed Radiological Surveys (Final Report) (Rev.1)

Increased continuous data collection using automated data loggers and autonomous radiological survey devices or vehicles has introduced a need for corresponding guidance and statistical techniques for data that are collected without surveyor vigilance. This report presents a method for calculating the a priori scan minimum detectable concentrations (MDCs) for surveys performed without vigilance similar to methods described in the Multi-Agency Radiation Survey and Site Investigation Manual, NUREG-1507, and NUREG/CR-6364. A priori scan MDCs are calculated during survey planning to ensure that survey parameters (e.g., scanning speed, scanning altitude, detector geometry) will lead to collecting data in which potentially contaminated areas can be detected when data are processed after the survey, within acceptable statistical error probabilities.

54 ENVIRONMENTAL SCIENCES↗

Self-Driving Laboratories for Chemistry and Materials Science

Self-driving laboratories (SDLs) promise an accelerated application of the scientific method. Through the automation of experimental workflows, along with autonomous experimental planning, SDLs hold the potential to greatly accelerate research in chemistry and materials discovery. This review provides an in-depth analysis of the state-of-the-art in SDL technology, its applications across various scientific disciplines, and the potential implications for research and industry. This review additionally provides an overview of the enabling technologies for SDLs, including their hardware, software, and integration with laboratory infrastructure. Most importantly, this review explores the diverse range of scientific domains where SDLs have made significant contributions, from drug discovery and materials science to genomics and chemistry. We provide a comprehensive review of existing real-world examples of SDLs, their different levels of automation, and the challenges and limitations associated with each domain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous Changes in Polymer Materials Driven by Chemical Fuels

Time-dependent properties in polymer materials can be achieved through coupling to out-of-equilibrium chemical fuel reactions that mimic biological processes. Through transient changes in bonding in polymers, transient gelation, changes in mechanical stiffness, swelling, self-healing, or self-assembly can be achieved. Recent advances in these categories are discussed. These out-of-equilibrium behaviors enable applications ranging from smart adhesives to actuators for soft robotics. However, challenges remain, including waste accumulation, bio-compatibility, and achieving functionally useful performance. Addressing these issues is essential for advancing the practical use of chemically driven polymer materials and unlocking their full potential for future technologies.

36 MATERIALS SCIENCE↗

Scale-free, programmable design of morphable chain loops of kilobots and colloidal motors

Micron-scale robots require systems that can morph into arbitrary target configurations controlled by external agents such as heat, light, electricity, and chemical environment. Achieving this behavior using conventional approaches is challenging because the available materials at these scales are not programmable like their macroscopic counterparts. To overcome this challenge, we propose a design strategy to make a robotic machine that is both programmable and compatible with colloidal-scale physics. Our strategy uses motors in the form of active colloidal particles that constantly propel forward. We sequence these motors end-to-end in a closed chain forming a two-dimensional loop that folds under its mechanical constraints. We encode the target loop shape and its motion by regulating six design parameters, each scale-invariant and achievable at the colloidal scale. We demonstrate the plausibility of our design strategy using centimeter-scale robots called kilobots . We use Brownian dynamics simulation to explore the large design space beyond that possible with kilobots, and present an analytical theory to aid the design process. Multiple loops can also be fused together to achieve several complex shapes and robotic behaviors, demonstrated by folding a letter shape “M,” a dynamic gripper , and a dynamic pacman . The material-agnostic, scale-free, and programmable nature of our design enables building a variety of reconfigurable and autonomous robots at both colloidal scales and macroscales.

36 MATERIALS SCIENCE↗

The Southern Ocean Carbon and Climate Observations and Modeling (SOCCOM) Project: A Review

The Southern Ocean serves as the primary gateway through which the intermediate, deep, and bottom waters of the ocean interact with the surface ocean (and thus the atmosphere), and it has a profound influence on the oceanic uptake of anthropogenic carbon and heat as well as nutrient resupply from the abyss to the surface. Yet it has been the least observed and understood region of the world ocean. The Southern Ocean Carbon and Climate Observations and Modeling (SOCCOM) project was implemented in 2014 with a goal to help remedy this deficit in observations and understanding. The SOCCOM project is based on two major advances that have the potential to transform understanding of the Southern Ocean. The first is the development of new biogeochemical sensors mounted on autonomous profiling floats that allow sampling of ocean biogeochemistry in 3-dimensional space. Floats may detect processes with a temporal resolution that ranges from hours to years. The second is that the climate modeling community finally has the computational resources and physical understanding to develop fully coupled climate models that can represent crucial, mesoscale processes in the Southern Ocean, as well as corresponding models that assimilate observations to produce a state estimate. The observational component, based on deployment of profiling floats with oxygen, nitrate, pH and bio-optical sensors, is generating vast amounts of new biogeochemical data that provide a year-round view of the Southern Ocean from the surface to 2000 m. The modeling effort is applying these observations and enhancing our understanding of the current ocean, and reducing uncertainty in projections of future carbon and nutrient cycles and climate. After nine years of operation, including a project renewal in the sixth year, the SOCCOM project has deployed more than 260 profiling floats. These floats have collected over 27,000 vertical profiles throughout the Southern Ocean. A data-assimilating biogeochemical state estimate model has been implemented. Here, the design of the SOCCOM project is reviewed and the scientific results that have been obtained are described. The project’s capability to help meet the observing system priorities outlined for a notional UN Decade for Ocean Sciences Southern Ocean observing system is assessed.

Jorge L. Sarmiento↗

Autonomous fabrication of tailored defect structures in 2D materials using machine learning-enabled scanning transmission electron microscopy

Materials with tailored quantum properties can be engineered from atomic-scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here, we demonstrate a fully autonomous approach for fabricating atomic-level defects using electron beams in scanning transmission electron microscopy (STEM) that combines advanced machine learning and automated beam control. As a proof of concept, we achieved controlled fabrication of MoS-nanowire (MoS-NW) edge structures by iterative and targeted exposure of MoS 2 monolayer to a focused electron beam to selectively eject sulfur atoms, utilizing high-angle annular dark-field (HAADF) imaging for feedback-controlled monitoring of structural evolution of defects. A machine learning framework combining a random forest model and a convolutional neural network (CNN) was developed to decode the HAADF image and accurately identify atomic positions and species. This atomic-level information was then integrated into an autonomous decision-making platform, which applied predefined fabrication strategies to instruct beam control about atomic sites to be ejected. The selected sites were subsequently exposed to a localized electron beam using an FPGA-controlled scan routine with precise control over beam positioning and duration. While the MoS-NW edge structures produced exhibit promising mechanical and electronic properties, the proposed methods to build the autonomous fabrication framework is material-agnostic and can be extended to other 2D materials for the creation of diverse defect structures and heterostructures beyond Mo S2 .

Engineering↗

Autonomous extraction of millimeter-scale deformation in InSAR time series using deep learning

Systematically characterizing slip behaviours on active faults is key to unraveling the physics of tectonic faulting and the interplay between slow and fast earthquakes. Interferometric Synthetic Aperture Radar (InSAR), by enabling measurement of ground deformation at a global scale every few days, may hold the key to those interactions. However, atmospheric propagation delays often exceed ground deformation of interest despite state-of-the art processing, and thus InSAR analysis requires expert interpretation and a priori knowledge of fault systems, precluding global investigations of deformation dynamics. Here, we show that a deep auto-encoder architecture tailored to untangle ground deformation from noise in InSAR time series autonomously extracts deformation signals, without prior knowledge of a fault’s location or slip behaviour. Applied to InSAR data over the North Anatolian Fault, our method reaches 2 mm detection, revealing a slow earthquake twice as extensive as previously recognized. We further explore the generalization of our approach to inflation/deflation-induced deformation, applying the same methodology to the geothermal field of Coso, California.

58 GEOSCIENCES↗

Stochastic thermodynamic cycles of a mesoscopic thermoelectric engine

Here, we analyze a steady-state thermoelectric engine, whose working substance consists of two capacitively coupled quantum dots. One dot is tunnel-coupled to a hot reservoir serving as a heat source, the other one to two electrically biased reservoirs at a colder temperature, such that work is extracted under the form of a steady-state current against the bias. In single realizations of the dynamics of this steady-state engine autonomous, four-stroke cycles can be identified. The cycles are purely stochastic, in contrast to mechanical autonomous engines which exhibit self-oscillations. In particular, these cycles fluctuate in direction and duration and occur in competition with other spurious cycles. Using a stochastic thermodynamic approach, we quantify the cycle fluctuations and relate them to the entropy produced during individual cycles. We identify the cycle mainly responsible for the engine performance and quantify its statistics with tools from graph theory. We show that such stochastic cycles are made possible because the work extraction mechanism is itself stochastic instead of the periodic time dependence in the working-substance Hamiltonian which can be found in conventional mechanical engines. Our investigation brings new perspectives about the connection between cyclic and steady-state engines.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Reinforcement learning for block decomposition of planar CAD models

Abstract The problem of hexahedral mesh generation of general CAD models has vexed researchers for over 3 decades and analysts often spend more than 50% of the design-analysis cycle time decomposing complex models into simpler blocks meshable by existing techniques. The decomposed blocks are required for generating good quality meshes (tilings of quadrilaterals or hexahedra) suitable for numerical simulations of physical systems governed by conservation laws. We present a novel AI-assisted method for decomposing (segmenting) planar CAD (computer-aided design) models into well shaped rectangular blocks. Even though the simple examples presented here can also be meshed using many conventional methods, we believe this work is proof-of-principle of a AI-based decomposition method that can eventually be generalized to complex 2D and 3D CAD models. Our method uses reinforcement learning to train an agent to perform a series of optimal cuts on the CAD model that result in a good quality block decomposition. We show that the agent quickly learns an effective strategy for picking the location and direction of the cuts and maximizing its rewards. This paper is the first successful demonstration of an agent autonomously learning how to perform this block decomposition task effectively, thereby holding the promise of a viable method to automate this challenging process for more complex cases.

97 MATHEMATICS AND COMPUTING↗

Adaptable Monitoring Package Development and Deployment: Lessons Learned for Integrated Instrumentation at Marine Energy Sites

Integrated instrumentation packages are an attractive option for environmental and ecological monitoring at marine energy sites, as they can support a range of sensors in a form factor compact enough for the operational constraints posed by energetic waves and currents. Here we present details of the architecture and performance for one such system—the Adaptable Monitoring Package—which supports active acoustic, passive acoustic, and optical sensing to quantify the physical environment and animal presence at marine energy sites. we describe cabled and autonomous deployments and contrast the relatively limited system capabilities in an autonomous operating mode with more expansive capabilities, including real-time data processing, afforded by shore power or in situ power harvesting from waves. Across these deployments, we describe sensor performance, outcomes for biological target classification algorithms using data from multibeam sonars and optical cameras, and the effectiveness of measures to limit biofouling and corrosion. On the basis of these experiences, we discuss the demonstrated requirements for integrated instrumentation, possible operational concepts for monitoring the environmental and ecological effects of marine energy converters using such systems, and the engineering trade-offs inherent in their development. Overall, we find that integrated instrumentation can provide powerful capabilities for observing rare events, managing the volume of data collected, and mitigating potential bias to marine animal behavior. These capabilities may be as relevant to the broader oceanographic community as they are to the emerging marine energy sector.

16 TIDAL AND WAVE POWER↗

Networks and interfaces as catalysts for polymer materials innovation

Autonomous experimental systems offer a compelling glimpse into a future where closed-loop, iterative cycles—performed by machines and guided by artificial intelligence (AI) and machine learning (ML)—play a foundational role in materials research and development. This perspective draws attention to the roles of networks and interfaces—of and between humans and machines—for the purpose of generating knowledge and accelerating innovation. Polymers, a class of materials with massive global impact, present a unique opportunity for the application of informatics and automation to pressing societal challenges. To develop these networks and interfaces in polymer science, the Community Resource for Innovation in Polymer Technology (CRIPT)—a polymer data ecosystem based on novel polymer data model, representation, search, and visualization technologies—is introduced. The ongoing co-design efforts engage stakeholders in industry, academia, and government to uncover rapidly actionable, high-impact opportunities to build networks, bridge interfaces, and catalyze innovation in polymer technology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

Design and construction of 3D printed devices to investigate active and passive bacterial dispersal on hydrated surfaces

Background: To disperse in water-unsaturated environments, such as the soil, bacteria rely on the availability and structure of water films forming on biotic and abiotic surfaces, and, especially, along fungal mycelia. Dispersal along such “fungal highways” may be driven both by mycelial physical properties and by interactions between bacteria and fungi. However, we still do not have a way to disentangle the biotic and abiotic elements. Results: We designed and 3D printed two devices establishing stable liquid films that support bacteria dispersal in the absence of biotic interactions. The thickness of the liquid film determined the presence of hydraulic flow capable of transporting non-motile cells. In the absence of flow, only motile cells can disperse in the presence of an energy source. Non-motile cells could not disperse autonomously without flow but dispersed as “hitchhikers” when co-inoculated with motile cells. Conclusions: The 3D printed devices can be used as an abiotic control to study bacterial dispersal on hydrated surfaces, such as plant roots and fungal hyphae networks in the soil. By teasing apart the abiotic and biotic dimensions, these 3D printed devices will stimulate further research on microbial dispersal in soil and other water-unsaturated environments.

3D printing↗

Robotic Lunar Landers for Science and Exploration

NASA Marshall Space Flight Center and The Johns Hopkins University Applied Physics Laboratory has been conducting mission studies and performing risk reduction activities for NASA s robotic lunar lander flight projects. In 2005, the Robotic Lunar Exploration Program Mission #2 (RLEP-2) was selected as a Exploration Systems Mission Directorate precursor robotic lunar lander mission to demonstrate precision landing and definitively determine if there was water ice at the lunar poles; however, this project was canceled. Since 2008, the team has been supporting NASA s Science Mission Directorate designing small lunar robotic landers for diverse science missions. The primary emphasis has been to establish anchor nodes of the International Lunar Network (ILN), a network of lunar science stations envisioned to be emplaced by multiple nations. This network would consist of multiple landers carrying instruments to address the geophysical characteristics and evolution of the moon. Additional mission studies have been conducted to support other objectives of the lunar science community and extensive risk reduction design and testing has been performed to advance the design of the lander system and reduce development risk for flight projects. This paper describes the current status of the robotic lunar mission studies that have been conducted by the MSFC/APL Robotic Lunar Lander Development team, including the ILN Anchor Nodes mission. In addition, the results to date of the lunar lander development risk reduction efforts including high pressure propulsion system testing, structure and mechanism development and testing, long cycle time battery testing and combined GN&C and avionics testing will be addressed. The most visible elements of the risk reduction program are two autonomous lander test articles: a compressed air system with limited flight durations and a second version using hydrogen peroxide propellant to achieve significantly longer flight times and the ability to more fully exercise flight sensors and algorithms. Robotic Lunar Lander design and development will have significant feed-forward to other missions to the Moon and, indeed, to other airless bodies such as Mercury, asteroids, and Europa, to which similar science and exploration objectives are applicable.

Cohen, B. A.↗

Autonomous quantum absorption refrigerators

Here, we propose a quantum absorption refrigerator using the quantum physics of resonant tunneling through quantum dots. The cold and hot reservoirs are fermionic leads, tunnel coupled via quantum dots to a central fermionic cavity, and we propose configurations in which the heat absorbed from the (very hot) central cavity is used as a resource to selectively transfer heat from the cold reservoir on the left to the hot reservoir on the right. Heat transport in the device is particle-hole symmetric; we find two regimes of cooling as a function of the dot energies—symmetric with respect to the Fermi energy of the reservoirs—and we associate them with heat transfer by electrons above the Fermi level and holes below the Fermi level. We also discuss optimizing the cooling effect by fine-tuning the energy of the dots as well as their linewidth and characterize regimes where the transport is thermodynamically reversible such that the Carnot coefficient of performance is achieved with zero cooling power delivered.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗