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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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At least 181 records · Page 10

Efficient and Selective Chemical Transformations in Highly Charged and Confined Nanodroplets

The acceleration of chemical reaction rates and the increased product selectivity in microdroplets compared to that in bulk solutions has become a topic of increasing interest that has been extensively characterized by electrospray ionization mass spectrometry (ESI-MS). However, the sources of this acceleration and the detailed relationships between droplet properties and resulting reaction rate acceleration are still under debate. Moreover, droplet properties are governed by multiple interrelated experimental parameters, i.e., electrospray voltage, solution flow rate, etc., which makes it difficult and time-consuming to explore this diverse parameter space using traditional manual experimental or computational approaches. In this work, we developed an automated experimental platform integrating reactions in controlled charged microdroplet environments with ESI-MS characterization and sequential hybrid Bayesian modeling, as well as an optimal experimental design framework, to achieve multidimensional parameter optimization for higher reaction turnover rates, based on a model reaction of tetraethylenepentamine (TEPA) with carbon dioxide. With the current platform, we have achieved automated scans with a range of electrospray voltages and solution flow rates, and determined and optimized parameter settings to achieve increased reaction turnovers. We have also linked this platform to the underlying properties of droplets via a hybrid model incorporating physics, high-level theoretical calculations, and machine learning (ML) approaches. The autonomous platform is broadly applicable to a range of chemical reactions relevant to DOE’s mission in chemical separations, catalysis, and materials synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Digital Twinning and Predictive Modeling of Traffic for Safe, Efficient, and Reliable Intersections

Over the last decade, the advances in connected and autonomous vehicles (CAVs) have far surpassed the technological realm of transportation infrastructure. There is a growing need to have a technologically commensurate transportation infrastructure to enable safe and reliable movement of goods and people. The recent creation of Advanced Research Projects Agency - Infrastructure (ARPA-I) through the Infrastructure Investment and Jobs Act by the U.S. Department of Transportation (USDOT) has further amplified the need to revolutionize the transportation infrastructure system in the US. This need is perhaps felt most at traffic intersections, as more than 50 percent of the combined total of fatal and injury crashes occur at or near intersections. The proposed concept of Infrastructure Perception and Control (IPC) is aimed at bridging this technological gap by building a real-time digital twin of traffic by fusing detections from sensors installed at the intersection. This digital twin can then empower a wide variety of applications such as smart traffic signals or infrastructure-to-everything (I2X) communications. Smart signaling can help avoid crashes through early-prediction, while I2X can augment the CAV sensors under uncertain driving conditions and provide connected vehicles (CVs) with traffic information they can use to optimize their travel.

connected vehicles↗

Autonomous Hydrogen Fueling Station

This project “Autonomous Hydrogen Fueling Station” covered the autonomous refueling with both gaseous hydrogen and liquid hydrogen. The part on gaseous hydrogen focused on the development of an autonomous robotic fueling arm that would couple to a fuel cell engine for hydrogen refueling without guidance from the forklift operator and budget period. Research was also covered for the robotic fueling with a commercial vehicle. The second phase of the project created the baseline for an autonomous liquid hydrogen transfer system that would minimize boil off losses by operating at thermodynamically efficient state points. For the development of the robotic fueling arm, testing was conducted to establish a baseline measurement of the accuracy and repeatability of a human operator positioning a lift truck in front of a dispenser. The goal was to establish the range of motion required for an autonomous fueling mechanism to mate a hydrogen nozzle with a receptacle on a fuel cell system installed in a forklift. The final design comprised a selective compliance articulated robot arm (SCARA)-type mechanism with two arms for horizontal motion and a ball screw for vertical movement and color and LIDAR cameras were used for marker identification and proximity awareness to guide the robotic arm to its target receptacle. Initial tests resulted in 199 out of 200 successful attempts at autonomous coupling of the dispensing coupler and a fuel cell engine, without hydrogen. The dispenser prototype was modified to include tubing for both hydrogen fuel and air purge lines, but subsequent tests were confounded by the shoulder motor over current errors which limited the robot from getting to the fully inserted position to achieve a positive latch. Robotic hydrogen refueling was successfully demonstrated over 1.5 hours of testing, Plug completed 29 successful latches with an average number of 4 sequential latches before failure. However, a robot capable of placing the nozzle with more force is required for higher reliability. For budget period two, a small scale (10 kg / transfer) automated control system was designed that would operate valves to control pressure and flow of liquid nitrogen between a source and receiving tank with an aim to minimize boil off losses by operating at the most thermodynamically efficient state points. Control system logic flow and a P&ID were developed prior to system safety characterization via HAZOP. A control narrative and system state points were defined. Delays in approval for a change of project objective and procurement issues precluded the construction and test of the final prototype system.

08 HYDROGEN↗

Decentralized Microgrid Protection Through Relative Fault Direction Classification: Preprint

Protection in inverter-based resources (IBRs) dominated microgrids generally face significant challenges due to the low fault current and inconsistent fault behaviors from IBRs. Recently, machine learning-based approaches have attracted considerable attention to address these challenges. This paper introduces a novel decentralized protection strategy for microgrids. The proposed method decomposes the protection challenge into several distributed learning tasks, enabling individual relays to autonomously determine the direction of faults using a binary classification framework based on support vector machine (SVM) algorithms. Following the distributed fault direction estimation, classifier outcomes are shared among neighboring relays, facilitating a local decision-making process to ascertain the presence of faults within the neighborhood. Finally, a tripping signal is generated based on the classifier results of each relay to operate the circuit breaker. To test and validate this approach, a 100% renewable microgrid model is simulated in MATLAB/Simulink. In the numerical analysis, the application of SVM classifiers in our approach yields impressive results: an average relay classification accuracy of 98%, and a 96% accuracy in circuit breaker control. These findings highlight the potential of machine-learning-based approaches in enhancing the efficiency and reliability of microgrid protection systems.

decentralized algorithm↗

Ku-band electron linac for battery-powered hand-portable 2-MeV X-ray generator

X-ray generators, producing radiation in MeV range, are a critical tool for radiography, non-destructive testing and security applications. Field operation of such source requires them to be hand-portable, autonomous and allow parameter adjustability. RF linear accelerators can serve as a flexible, reliable, and robust radiation generator alternative to dangerous radioisotopes and bulky betatrons that are currently used for field radiography if their size, weight, cost, and imaging performance are matched to these sources. Here, in this paper, we present the design and test results of a 2 MeV Ku-band electron linac for a hand-portable X-ray generator system for field radiography being developed by RadiaBeam. The dramatic scale of miniaturization and cost-reduction is achieved thanks to the implementation of innovative technologies such as air-cooled Ku-band air-traffic control magnetrons, a split accelerating structure fabrication technique, and solid-state Marx modulators. This paper presents the design of the first prototype of the accelerator, its operation from Li-Ion batteries, as well as high-power and beam measurements.

43 PARTICLE ACCELERATORS↗

Soft interface instability and gas flow channeling in low-permeability deformable media

Understanding gas percolation through a clay layer or a shale formation is of great importance for the development of a geologic repository for nuclear waste disposal, a subsurface system for gas storage, and an engineering approach for hydrocarbon extraction from unconventional reservoirs. Gas injection experiments have revealed complex dynamic behaviours of gas percolation through water saturated compacted bentonite, characterized by a high breakthrough pressure, rapid breakthrough, a pressure/stress decay after the breakthrough, a relatively high migration rate, high-frequency periodic/nonperiodic variations in flow rate, stepwise rate reductions during relaxation, and low gas saturation over the whole process, all indicating channelling nature of the processes. Using linear stability analyses, we show that this channelling can autonomously emerge from the instability of the deformable interface between the injected gas and the compacted bentonite matrix driven by local stress concentration, pore dilation, and hydrologic gradient. Channel patterns formed would possess a fractal geometry. We further show that, once a percolating channel is established, the gas injected would percolate through the channel in a chain of gas bubbles, also due to the interface instability, resulting in periodic/chaotic variations in gas flow rate. Our work provides a unified explanation for key features observed for gas percolation in low-permeability deformable media. The work also suggests a possibility of designing an engineered barrier system for a nuclear waste repository that can have controllable gas release while limit water transport.

Bentonite↗

Proposed Classifications of Remote Operations for Nuclear Reactors Based on Physical and Cybersecurity Considerations

The incorporation of remote operations into reactor operations is a topic of high interest among advanced and small modular reactor (A/SMR) vendors, with some considering it essential to the success of their business models. However, remote operations are a concept novel to the nuclear industry. While various technical aspects of remote operations have been explored, a significant gap remains in understanding the security implications of integrating remote operations into reactor designs, particularly concerning the security requirements for remote-operations facilities and infrastructure. This report aims to address this gap by first defining classes of remote operation based on the extent of remote access to reactor control systems and grounded in the existing regulatory framework with compatible terminology. Secondly, the report outlines the physical and cybersecurity requirements applicable to remote-operations facilities and infrastructure at each defined class. These requirements are based on existing licensing frameworks provided by 10 Code of Federal Regulations (CFR) Part 50 and 10 CFR Part 52, as well as the upcoming A/SMR licensing framework in the proposed Part 53. The assessment focuses specifically on security regulations, such as 10 CFR Part 73, which includes provisions for both cybersecurity (§ 73.54) and physical security (§ 73.55). This report proposes five classes of remote reactor operations. Class 1 involves remote monitoring only, with no control over reactor systems. Class 2 allows for the remote issuance of allowlisted commands to the reactor facility. Class 3 extends control to non-safety-significant, non-safety-related, or not important to safety systems and equipment. Class 4 permits remote control of safety-significant systems. Finally, Class 5 allows remote control of safety-related systems. It is important to note that these classes were defined purely with functionality in mind, without considering the practicality or feasibility of implementation for each class under current or upcoming regulatory guidance. The intention behind this approach is to enable an assessment of which security requirements apply to each class, allowing readers to evaluate the implementation possibilities for their specific use cases. Following the definition of remote-operation classes, the report assesses the specific physical and cybersecurity requirements applicable to the remote-operations facility and infrastructure within each defined class. This includes defining the types and locations of operators that are possible at each class of operation and, based on operator type and location, as well as functionality within each class, outlining the physical and cybersecurity requirements. By detailing the security requirements by class, the report provides readers with the information needed to determine the type of security program they may need to implement for their desired concept of operation. The next contribution of this report was to assess the practicality of implementing each proposed class of remote operations based upon the security requirement assessment. In short, three of the five proposed remote-operation classes were found to possibly have a practical path forward to implementation under the U.S. regulatory framework. Class 1 remote operations are currently in use in the U.S. while Class 2 and 3 remote operations may be logistically possible to implement under the U.S. regulatory framework. The final two Classes, 4 and 5, would likely be logistically difficult, if not infeasible to implement within the current U.S. physical- and cybersecurity regulatory framework. Given the results of the feasibility assessment, an example architecture is proposed for both Class 2, remote allowlisted commands, and Class 3, remote control of non-safety systems as well as security implication assessments of each architecture. These example implementations are not meant to be prescriptive in terms of how Class 2 or Class 3 remote operations should be deployed; instead, they are intended to be informative to stakeholders on how Class 2 or Class 3 could potentially be applied in order to inform their system design. An example architecture for Class 1 remote monitoring was not provided as Class 1 in already in use in U.S. nuclear operations. Example architectures for Class 4 and Class 5 were not provided due to their assessment of being likely infeasible to implement. The final contribution is an assessment of the physical- and cybersecurity implications of introducing autonomous operations into an A/SMR. What was found was that the security implications can be separated into two cases. Autonomous operations supported by SSCs located only at the reactor site, and autonomous operations supported by SSCs outside of the reactor site. For the first case, the introduction of autonomous systems will likely not change the facility’s requirement to comply with existing cyber and physical security regulation

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Co-orchestration of multiple instruments to uncover structure–property relationships in combinatorial libraries

The rapid growth of automated and autonomous instrumentation brings forth opportunities for the co-orchestration of multimodal tools that are equipped with multiple sequential detection methods or several characterization techniques to explore identical samples. This is exemplified by combinatorial libraries that can be explored in multiple locations via multiple tools simultaneously or downstream characterization in automated synthesis systems. In co-orchestration approaches, information gained in one modality should accelerate the discovery of other modalities. Correspondingly, an orchestrating agent should select the measurement modality based on the anticipated knowledge gain and measurement cost. Herein, we propose and implement a co-orchestration approach for conducting measurements with complex observables, such as spectra or images. The method relies on combining dimensionality reduction by variational autoencoders with representation learning for control over the latent space structure and integration into an iterative workflow via multi-task Gaussian Processes (GPs). This approach further allows for the native incorporation of the system's physics via a probabilistic model as a mean function of the GPs. We illustrate this method for different modes of piezoresponse force microscopy and micro-Raman spectroscopy on a combinatorial Sm-BiFeO3 library. However, the proposed framework is general and can be extended to multiple measurement modalities and arbitrary dimensionality of the measured signals.

47 OTHER INSTRUMENTATION↗

Towards a self-driving trigger at the LHC: adaptive response in real time

Real-time data filtering and selection—or trigger—systems at high-throughput scientific facilities such as the experiments at the Large Hadron Collider must process extremely high-rate data streams under stringent bandwidth, latency, and storage constraints. Yet these systems are typically designed as static, hand-tuned menus of selection criteria grounded in prior knowledge and simulation. In this work, we further explore the concept of a self-driving trigger, an autonomous data-filtering framework that reallocates resources and adjusts thresholds dynamically in real-time to optimize signal efficiency, rate stability, and computational cost as instrumentation and environmental conditions evolve. We introduce a benchmark ecosystem to emulate realistic collider scenarios and demonstrate real-time optimization of a menu including canonical energy sum triggers as well as modern anomaly-detection algorithms that target non-standard event topologies using machine learning. Using simulated data streams and publicly available collision data from the Compact Muon Solenoid experiment, we demonstrate the capability to dynamically and automatically optimize trigger performance under specific cost objectives without manual retuning. Our adaptive strategy shifts trigger design from static menus with heuristic tuning to intelligent, automated, data-driven control, unlocking greater flexibility and discovery potential in future high-energy physics analyses.

Emami, Shaghayegh [Michigan U.] (ORCID:00090007589↗

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↗

Data collected using small uncrewed aircraft systems during the TRacking Aerosol Convection interactions ExpeRiment (TRACER)

Abstract. The main goal of the TRacking Aerosol Convection interactions ExpeRiment (TRACER) project was to further understand the role that regional circulations and aerosol loading play in the convective cloud life cycle across the greater Houston, Texas, area. To accomplish this goal, the United States Department of Energy and research partners collaborated to deploy atmospheric observing systems across the region. Cloud and precipitation radars, radiosondes, and air quality sensors captured atmospheric and cloud characteristics. A dense lower-atmospheric dataset was developed using ground-based remote sensors, a tethersonde, and uncrewed aerial systems (UASs). TRACER-UAS is a subproject that deployed two UAS platforms to gather high-resolution observations in the lower atmosphere between 1 June and 30 September 2022. The University of Oklahoma CopterSonde and the University of Colorado Boulder RAAVEN (Robust Autonomous Aerial Vehicle – Endurant Nimble) were flown at two coastal locations between the Gulf of Mexico and Houston. The University of Colorado Boulder RAAVEN gathered measurements of atmospheric thermodynamic state, winds and turbulence, and aerosol size distribution. Meanwhile, the University of Oklahoma CopterSonde system operated on a regular basis to resolve the vertical structure of the thermodynamic and kinematic state. Together, a complementary dataset of over 200 flight hours across 61 d was generated, and data from each platform proved to be in strong agreement. In this paper, the platforms and respective data collection and processing are described. The dataset described herein provides information on boundary layer evolution, the sea breeze circulation, conditions prior to and nearby deep convection, and the vertical structure and evolution of aerosols. The quality-controlled TRACER-UAS observations from the CopterSonde and RAAVEN can be found at https://doi.org/10.5439/1969004 (Lappin, 2023) and https://doi.org/10.5439/1985470 (de Boer, 2023), respectively.

54 ENVIRONMENTAL SCIENCES↗

Bridging length scales in hard materials with ultra-small angle X-ray scattering – a critical review

Owing to their exceptional properties, hard materials such as advanced ceramics, metals and composites have enormous economic and societal value, with applications across numerous industries. Understanding their microstructural characteristics is crucial for enhancing their performance, materials development and unleashing their potential for future innovative applications. However, their microstructures are unambiguously hierarchical and typically span several length scales, from sub-ångstrom to micrometres, posing demanding challenges for their characterization, especially for in situ characterization which is critical to understanding the kinetic processes controlling microstructure formation. This review provides a comprehensive description of the rapidly developing technique of ultra-small angle X-ray scattering (USAXS), a nondestructive method for probing the nano-to-micrometre scale features of hard materials. USAXS and its complementary techniques, when developed for and applied to hard materials, offer valuable insights into their porosity, grain size, phase composition and inhomogeneities. We discuss the fundamental principles, instrumentation, advantages, challenges and global status of USAXS for hard materials. Using selected examples, we demonstrate the potential of this technique for unveiling the microstructural characteristics of hard materials and its relevance to advanced materials development and manufacturing process optimization. We also provide our perspective on the opportunities and challenges for the continued development of USAXS, including multimodal characterization, coherent scattering, time-resolved studies, machine learning and autonomous experiments. Our goal is to stimulate further implementation and exploration of USAXS techniques and inspire their broader adoption across various domains of hard materials science, thereby driving the field toward discoveries and further developments.

36 MATERIALS SCIENCE↗

A Neural Network-Based Power Mismatch Elimination Strategy for Integrated Solar and ESS AC/DC Systems (MARS)

The multiport autonomous reconfigurable solar power plant (MARS) is a promising concept for the integration of photovoltaic (PV) and energy storage system (ESS) to the transmission ac grid and a high-voltage direct current (HVdc) link. The presence of PV and ESS in each arm of the MARS results in uneven distribution of active power among different submodules (SMs), thereby leading to unbalanced SM capacitor voltages and potentially compromising the system stability. Moreover, in the case of partial shadings, shaded PV SMs will suffer from decreased power injections causing power mismatch in the MARS system. To address this issue, a neural-network-based power mismatch elimination (NNPME) strategy is proposed in this article. The proposed NNPME strategy optimizes ESS usage and leverages both dc and ac circulating currents to facilitate power transfer among the SMs, arms, and phases of the MARS system. Simulation and control hardware-in-the-loop (cHIL) experiments demonstrate the effectiveness of the proposed NNPME strategy. Compared with the traditional approaches, the proposed NNPME strategy can significantly enhance system efficiency and ensure stable and continuous operation, even in the presence of uneven power distribution within the MARS system.

14 SOLAR ENERGY↗

Feedback, physics, and forecasts: The emerging paradigm of machine learning-driven battery research

Machine learning (ML) is reshaping how we understand, predict, and optimize electrochemical systems. In batteries, ML accelerates discovery across chemistry, design, and operation by transforming massive experimental and simulated datasets into predictive, interpretable models. This review consolidates a decade of progress in ML-driven battery innovation, from early-cycle feature extraction to operando image analysis and physics-informed modeling. We categorize approaches by data domain and physical fidelity, emphasizing interpretable ML for diagnostics, reinforcement learning for control, and multi-objective optimization for lifetime extension strategies. Additionally, we demonstrate how integrated models accelerate discovery, reduce testing time, and guide sustainable design. Economic analyses furthermore illustrate how these advances can lower cost per cycle and improve circularity. Together, these developments chart a path toward self-optimizing, sustainable battery technologies.

artificial intelligence↗

Machine Learning for Scalable and Optimal Load Shedding Under Power System Contingency

Prompt and effective corrective actions in response to unexpected contingencies are crucial for improving power system resilience and preventing cascading blackouts. The optimal load shedding (OLS) accounting for network limits has the potential to address the diverse system-wide impacts of contingency scenarios as compared to traditional local schemes. However, due to the fast cascading propagation of initial contingencies, real-time OLS solutions are challenging to attain in large systems with high computation and communication needs. In this paper, we propose a decentralized design that leverages offline training of a neural network (NN) model for individual load centers to autonomously construct the OLS solutions from locally available measurements. Our learning-for-OLS approach can greatly reduce the computation and communication needs during online emergency responses, thus preventing the cascading propagation of contingencies for enhanced power grid resilience. Numerical studies on both the IEEE 118-bus system and a synthetic Texas 2000-bus system have demonstrated the efficiency and effectiveness of our scalable OLS learning design for timely power system emergency operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes

Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti3C2TX MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures-from isolated vacancies to nanopores-revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.

2D materials↗

Programmable hydrogels by combining persistent and transient dynamic bonds

Out-of-equilibrium chemistry is currently being applied to polymer systems to mimic the autonomous behavior of biological materials. In this study, hydrogels with self-healing properties were developed that combine persistent crosslinks from dynamic metal-ligand coordination with transient crosslinks from dynamic anhydride bonds. Polymers containing terpyridine ligands and carboxylic acid groups were synthesized and crosslinked with divalent metal ions (Fe 2+ , Ni 2+ , Co 2+ , Zn 2+ , Cu 2+ ). The coordination bonds from terpyridine–metal coordination impart persistent stability, while transient anhydrides formed on treatment with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (EDC) temporarily increase crosslink density. Distinct behaviors are observed depending on the choice of metal, with Ni 2+ forming robust, stable networks; Zn 2+ creating moderately dynamic gels; and Cu 2+ yielding highly dynamic, soft materials. Treatment with EDC increased storage moduli significantly, with transient effects lasting up to 280 min depending on the metal ion. Self-healing experiments demonstrated independent contributions from metal coordination and transient anhydrides, enabling recovery of stress and strain under varying conditions. Additionally, complex and reversible 2D stiffness patterns were generated by spatially controlled EDC treatment of Zn 2+ and Cu 2+ hydrogel films, demonstrating programmability and reusability.

Rajawasam, Chamoni W. H. [Miami University, Oxford↗

New principles of self‐organization created through the interplay of DNA condensates, microtubules, and motors

Bioinspired design—which holds great promise for a new generation of materials that are robust to defects, scalable under green manufacture, environmentally responsive, and programmably reconfigurable—requires mastery over molecular self-organization. Yet, from its specific mechanisms to most general architectures, the principles governing self-organization remain poorly understood and not even fully enumerated. For living systems, one obvious architectural principle is the modular reuse of a few simple molecular components in myriad combinations to achieve more complex phenomena. For example, the mechanical tasks of a cell are driven by the nonequilibrium dynamics of cytoskeletal filaments and molecular motors—the same filaments and motors, reprogrammed by a variety of modulators, perform tasks ranging from cell movement to division. Similarly, many compartmentalization tasks are performed by liquid-like condensates of simple components, which act as membraneless organelles to localize particular molecules in space and time (e.g. for gene regulation or RNA processing). In a few cases, condensates combine and interact with the cytoskeleton to create still more complex phenomena, e.g. the nucleation of microtubule asters from the centrosome (a protein condensate) to form the mitotic spindle during cell division. Very little is known about the fundamental mechanisms of such filament-plus-condensate phenomena. Despite few examples, the landscape of behaviors that can be achieved through the combination of condensates, filaments, and motors appears vast. However, exploration has been hindered by a lack of systems that have sufficiently programmable and dynamically tunable interactions between component condensates, filaments, and motors. We proposed to combine programmable DNA condensates, filamentous microtubules, and light-controlled motors into self-organizing systems whose principles go beyond those that have been observed in nature. In one limit, our systems will use microtubules and motors to create the molecular analog of a network of roads, which will organize droplets of DNA condensates capable of carrying molecular cargo. DNA condensates coupled to motors will flow from one microtubule aster hub to another, with their direction and timing controlled by DNA circuits. In another limit, microtubules will swim through bulk DNA condensates and exhibit strong interactions with boundaries between different types of condensates. Microtubule swimmers will reflect, get trapped, or refract at boundaries, under a mechanical analog of the classical optical index of refraction. DNA condensates having different mechanical indexes of refraction will be used to construct the analog of optical lenses, so that microtubule swimmers can be manipulated like light—collimated, diffracted, focused, and sorted based on properties analogous to wavelength. These two limits define two new architectures, within which multiple new mechanistic principles for self-organization will be discovered and explored. To explore these architectures, the motor-based coupling between DNA condensates and filaments will be controlled in time and space through the use of opto-proteins that create reversible links between DNA condensates and motors upon illumination. For each principle of interest, patterns of light will create virtual experiments by defining patterns of activity where DNA condensates walk along filaments, or filaments swim through condensates, and patterns of inactivity which will serve either as controls, or as boundary conditions vital to create the desired phenomena. This research serves the goals of Basic Energy Sciences Biomolecular Material Program by elucidating the principles by which the emergent, nonequilibrium behavior of collections of DNA condensates, motors, and microtubules can be programmed by environmental light patterns to create complex motion and materials transport. Because DNA condensates can be readily coupled to virtually any high performance nanomaterial, from carbon nanotubes, to metal nanoparticles, to light harvesting systems, this work provides a path to the construction, self-maintenance and reconfiguration of materials relevant to the Department of Energy.

60 APPLIED LIFE SCIENCES↗