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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 271 records · Page 15

Decoding crops one cell at a time: from cell atlases to single-cell genetics

Understanding the mechanisms underlying key agricultural traits remains a central challenge in crop research, but recent advances in technologies are providing powerful tools to address this issue. Among these, single-cell and spatial transcriptomics have revealed tissue heterogeneity and spatial organization, offering unique insights into cellular gene expression dynamics and the coordinated activity of multiple cell types. These approaches help uncover how specific cell types contribute to agricultural traits and refine candidate loci lists through integration with trait-associated loci. Additionally, single-cell and spatial transcriptomics have the potential to serve as cell-level readout platforms integrating cellular perturbations, enabling high-throughput discovery of causal relationships between genotype and gene expression at the cellular level in plants. Successful implementation will accelerate the identification of key genetic variants for crop improvement. Furthermore we review lessons learned from application of single-cell screening in mammalian cells, highlight major technical and biological barriers to its use in plants, and outline potential strategies to overcome these challenges. Together, the widespread application and integration of single-cell and spatial transcriptomics with other technologies enable not only the descriptive cataloging of cell states but also the causal interrogation of sequence functions and regulatory networks at cell type resolution, ultimately advancing gene function studies and accelerating crop improvement.

Cellular heterogeneity↗

Risk-Aware Reinforcement Learning Framework for User-Centric O-RAN

The evolution of Open Radio Access Networks (O-RAN) presents an opportunity to enhance network performance by enabling dynamic orchestration of configuration and optimization parameters (COPs) through online learning methods. However, leveraging this potential requires overcoming the limitations of traditional cell-centric RAN architectures, which lack the necessary flexibility. On the other hand, despite their recent popularity, the practical deployment of online learning frameworks, such as Deep Reinforcement Learning (DRL)-based COP optimization solutions, remains limited due to their risk of deteriorating network performance during the exploration phase. In this article, we propose and analyze a novel risk-aware DRL framework for user-centric RAN (UC-RAN), which offers both the architectural flexibility and COP optimization to exploit this flexibility. We investigate and identify UC-RAN COPs that can be optimized via a soft actor-critic algorithm implementable as an O-RAN application (rApp) to jointly maximize latency satisfaction, reliability satisfaction, area spectral efficiency, and energy efficiency. We use the offline learning on UC-RAN to reliably accelerate DRL training, thus minimizing the risk of DRL deteriorating cellular network performance. Results show that our proposed solution approaches near-optimal performance in just a few hundred iterations with a decrease in risk score by a factor of ten.

6G and beyond↗

Quantum Communication Networks for Energy Applications: Review and Perspective

Abstract The energy sector is expected to undergo significant changes in the coming decades with the advent of new technologies, including smart grid development, microgrid expansion, increasing electric vehicle and renewable energy usage, and enhanced measures to minimize greenhouse gas emission, among others. In tandem, these changes are expected to create new opportunities for the deployment of quantum technologies within the energy sector. Building on the authors' previous reviews on the current state of and future opportunities for quantum sensing, quantum computing and quantum simulations for energy sector applications, this work provides an overview of recent progress in quantum networking and communications for the energy industry, with a focus on platforms, devices, and protocols, including quantum teleportation and quantum key distribution. Specific areas of relevance to the energy sector are then analyzed, including the role of quantum networks for greenhouse gas monitoring, secure data collection and transmission in smart grids, nuclear power plants’ safety, facilitating oil and gas exploration, and other energy‐relevant applications. This review concludes with a brief overview of areas for future innovation, including the need for platforms for simulating quantum networks, quantum material and platform design, and computational approaches to accelerate quantum protocol discovery and development.

Paudel, Hari P.↗

Search for Stable and Low-Energy Ce–Co–Cu Ternary Compounds Using Machine Learning

Cerium-based intermetallics have garnered significant research attention as potential new permanent magnets. In this study, we explore the compositional and structural landscape of Ce−Co−Cu ternary compounds using a machine learning (ML)- guided framework integrated with first-principles calculations. We employ a crystal graph convolutional neural network (CGCNN), which enables efficient screening for promising candidates, significantly accelerating the material discovery process. With this approach, we predict five stable compounds, Ce 3 Co 3 Cu, CeCoCu 2 , Ce 12 Co 7 Cu, Ce 11 Co 9 Cu, and Ce 10 Co 11 Cu 4 , with formation energies below the convex hull, along with hundreds of low-energy (possibly metastable) Ce−Co−Cu ternary compounds. Firstprinciples calculations reveal that several structures are both energetically and dynamically stable. Notably, two Co-rich low-energy compounds, Ce 4 Co 33 Cu and Ce 4 Co 31 Cu 3 , are predicted to have high magnetizations.

Chemical structure↗

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous systems: the amorphous structure of polymers requires multiple, repeated sampling to reduce noise and the slow relaxation requires long simulation time for convergence. Here, we accelerate the screening with a multi-task graph neural network that learns from a large amount of noisy, unconverged, short MD data and a small number of converged, long MD data. We achieve accurate predictions of 4 different converged properties and screen a space of 6247 polymers that is orders of magnitude larger than previous computational studies. Further, we extract several design principles for polymer electrolytes and provide an open dataset for the community. Our approach could be applicable to a broad class of material discovery problems that involve the simulation of complex, amorphous materials.

36 MATERIALS SCIENCE↗

RE-INTEGRATE EMT Simulation Software: DAE Solvers and Automation

Existing electromagnetic transient (EMT) simulation tools face challenges in accelerating EMT simulations, especially for very large-scale power networks. To tackle this issue, next generation EMT simulation tools such as RE-INTEGRATE EMT are being researched upon. Such tools should be equipped with automation capabilities and advanced numerical differential-algebraic equation (DAE) solvers. In this paper, the DAE solvers incorporated within the RE-INTEGRATE EMT simulation tool are discussed. In particular, a modified ODEINT-based DAE solver and the ARKODE solver from SUN-DIALS are leveraged within RE-INTEGRATE EMT. In addition, the automation implemented within RE-INTEGRATE EMT to automate the DAE generation (replacing the need of manual discretization and assembling DAEs) is discussed. Different use cases were implemented using the RE-INTEGRATE EMT tool and were validated with respect to baseline simulations.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗

Fairness-Aware Distributed Energy Coordination for Voltage Regulation in Power Distribution Systems

The accelerating deployment of solar photovoltaics into low-voltage distribution networks can cause reverse power flow and overvoltage problems. However, if coordinated properly, the real and reactive power flexibility of these resources enables distribution operators to manage their networks more efficiently. Existing literature is rich in droop-based control (Volt-Watt and Volt-VAr) and optimization-based distributed energy coordination for four-quadrant control of photovoltaics to prevent overvoltage issues. While optimal coordination can effectively mitigate overvoltage, it tends to treat resources at sensitive parts of the grid unfairly. Here, to address this concern, we propose a distributed optimal power flow formulation that incorporates fairness in curtailing photovoltaic generation and utilizes the reactive power capability of smart inverters. The proposed distributed formulation allows for scalable resource aggregation that can be leveraged to achieve fairness within a certain segment of the grid and/or fairness across the entire network. Fair curtailment of photovoltaic systems is demonstrated with aggregation at each of two layers in a distribution network: 1) area-level fairness and 2) feeder-level fairness. To explore the trade-off between fairness and optimal utilization, the fairness-aware control actions are compared against the performance of a centralized controller that aims to maximize the aggregate PV generation without incorporating fairness. Simulation results show that introducing area-level fairness increased curtailment by 0.0101 percentage points and feeder-level fairness increased curtailment by 0.0458 percentage points compared to a fairness-agnostic control.

Poudel, Shiva↗

Effect of network connectivity on behavior of synthetic Broborg hillfort glasses

There is wide industrial interest in developing robust models of long-term (>100 years) glass durability. Archeological glass analogs, glasses of similar composition, and alteration conditions to those being tested for durability can be used to evaluate and inform such models. Two such analog glasses from a 1500-year-old vitrified hillfort near Uppsala, Sweden have previously been identified as potential analogs for low concentration Fe-bearing aluminosilicate nuclear waste glasses. However, open questions remain regarding the melting environment from which these historic glasses were formed and the effect of these conditions on their chemical durability. A key factor to answering the previous melting and durability questions is the redox state of Fe in the starting and final materials. Past work has shown that the melting conditions of a glass-forming melt may influence the redox ratio value (Fe +3 /ΣFe), a measure of a glass's redox state, and both melting conditions and the redox ratio may influence the glass alteration behavior. Synthetic analogs of the hillfort glasses have been produced using either fully oxidized or reduced Fe precursors to address this question. In this study, the melting behavior, glass transition temperature, oxidation state, network structure, and chemical durability of these synthesized glass analogs is presented. Resulting data suggests that the degree of network connectivity as impacted by the oxidation state of iron impacted the behavior of the glass-forming melt but in this case does not affect the chemical durability of the final glass. Glasses with a lower degree of melt connectivity were found to have a lower viscosity, resulting in a lower glass transition temperature and softening temperature, as well as in a lower temperature of foam onset and temperature of foam maximum. This lower degree of network connectivity most likely played a more significant role in accelerating the conversion of batch chemicals into glass than the presence of water vapor in the furnace's atmosphere. Future work will focus on using the results from this work with outcomes from other aspects of this project to evaluate long-term glass alteration models.

36 MATERIALS SCIENCE↗

Harnessing ML Privacy by Design Through Crossbar Array Non-idealities

Deep Neural Networks (DNNs), handling computeand data-intensive tasks, often utilize accelerators like Resistiveswitching Random-access Memory (RRAM) crossbar for energyefficient in-memory computation. Despite RRAM’s inherent nonidealities causing deviations in DNN output, this study transforms the weakness into strength. By leveraging RRAM non-idealities, the research enhances privacy protection against Membership Inference Attacks (MIAs), which reveal private information from training data. RRAM non-idealities disrupt MIA features, increasing model robustness and revealing a privacy-accuracy tradeoff. Empirical results with four MIAs and DNNs trained on different datasets demonstrate significant privacy leakage reduction with a minor accuracy drop (e.g., up to 2.8% for ResNet-18 with CIFAR-100).

artificial intelligence↗

ModuleOT

ModuleOT is an open hardware security platform which provides all features necessary for securing remote energy resources. The platform consists of a physical bump in-the wire device which runs a custom-built application built with Go and Python and leverages AES-NI Instruction set available on modern hardware for cryptographic acceleration. By combining these features, ModuleOT acts as an all-in-one low-cost solution to enable cryptographically secured communications to any critical remote servers or devices. Because the software application has been built using Golang, this source can be easily compiled for different hardware platforms. The module is designed to provide the following core features: (1) encrypted communications across an untrusted network, (2) certificate-based authentication with secure storage, (3) hardware cryptographic acceleration, (4) IP-based whitelisting, (5) local firewall management, and (6) legacy (RS485) device support.

Hasandka, Adarsh↗

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↗

AI-Accelerated Strategies and Solutions in Environmental Technology (AI-ASSET)

ALTEMIS Present Day • An integrated network of different sensing technologies designed to monitor a complex and evolving hydrogeochemical system • Key Concept: Use controlling (proxy) variables measured by sensors to predict plume anomalies before they occur • 80% Reduction in wells • $12-20K/year/well saved • Reduced sampling frequency • But how did we get here?

De La Noval, Alejandro J. [Savannah River National↗

Leveraging In-Network Computing and Programmable Switches for Streaming Analysis of Scientific Data

With the emergence of programmable network devices that match the performance of fixed function devices, several recent projects have explored in-network computing, where the processing that is traditionally done outside the network is offloaded to the network devices. In-network computing has typically been applied to network functions (e.g., load balancing, NAT, and DNS), caching, data reduction/aggregation, and coordination/consensus functions. In some cases it has been used to accelerate stream-processing tasks that involve small payloads and simple operations. In this work we focus on leveraging in-network computing for stream processing of scientific datasets with large payloads that require complex operations such as floating-point computations and logarithmic functions. We demonstrate in-network computing for a real-world scientific application performing streaming normalization of a 2-D image from a light source experiment. We discuss the challenges we encountered and potential approaches to address them.

Sankaran, Ganesh↗

EVs@Scale Lab Consortium Bi-Annual Stakeholder Meeting, 17 August 2022, Golden, Colorado [Slides]

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Lab Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. This network will be critical to support tens of millions of light-, medium-, and heavy-duty EVs on American roads by 2030. The EVs@Scale Lab Consortium brings together national laboratories and key stakeholders to conduct infrastructure research and development (R&D) that advances innovations in, and sets unified standards for, high-power and wireless charging. The effort will also develop technologies to integrate vehicle charging with the power grid, and develop cybersecurity measures to protect drivers, vehicles, equipment, and the grid. The first hybrid EVs@Scale Lab Consortium Biannual Stakeholder Meeting was held at NREL on August 17, 2022, to identify research, development, and deployment needs to accelerate technology development for electric vehicles at scale and explore opportunities for collaboration across government, academia, and industry.

33 ADVANCED PROPULSION SYSTEMS↗

Genomics-enabled analysis of specialized metabolism in bioenergy crops: Current progress and challenges

Plants produce a staggering diversity of specialized small molecule metabolites that play vital roles in mediating environmental interactions and stress adaptation. This chemical diversity derives from dynamic biosynthetic pathway networks that are often species-specific and operate under tight spatiotemporal and environmental control. A growing divide between demand and environmental challenges in food and bioenergy crop production have intensified research on these complex metabolite networks and their contribution to crop fitness. High-throughput omics technologies provide access to ever-increasing data resources for investigating plant metabolism. However, the efficiency of using such system-wide data to decode the gene and enzyme functions controlling specialized metabolism has remained limited; due largely to the recalcitrance of many plants to genetic approaches and the lack of ‘user-friendly’ biochemical tools for studying the diverse enzyme classes involved in specialized metabolism. With emphasis on terpenoid metabolism in the bioenergy crop switchgrass as an example, this review aims to illustrate current advances and challenges in the application of DNA synthesis and synthetic biology tools for accelerating the functional discovery of genes, enzymes and pathways in plant specialized metabolism. These technologies have accelerated knowledge development on the biosynthesis and physiological roles of diverse metabolite networks across many ecologically and economically important plant species and can provide resources for application to precision breeding and natural product metabolic engineering.

59 BASIC BIOLOGICAL SCIENCES↗

EVs@Scale Lab Consortium Semi-Annual Stakeholder Meeting

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Lab Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. This network will be critical to support tens of millions of light-, medium-, and heavy-duty EVs on American roads by 2030. The EVs@Scale Lab Consortium brings together national laboratories and key stakeholders to conduct infrastructure research and development (R&D) that advances innovations in, and sets unified standards for, high-power and wireless charging. The effort will also develop technologies to integrate vehicle charging with the power grid, and develop cybersecurity measures to protect drivers, vehicles, equipment, and the grid. The first hybrid EVs@Scale Lab Consortium Semiannual Stakeholder Meeting was held at ANL on September 27-28, 2023, to identify research, development, and deployment needs to accelerate technology development for electric vehicles at scale and explore opportunities for collaboration across government, academia, and industry.

advanced charging and grid interface technologies↗

2024 Electric Vehicles at Scale Semiannual Stakeholder Meeting

The U.S. Department of Energy (DOE) Electric Vehicles at Scale Lab Consortium (EVs@Scale Lab Consortium) is accelerating research to support the establishment of a secure and scalable national network of charging infrastructure. This network will be critical to support tens of millions of light-, medium-, and heavy-duty EVs on American roads by 2030. The EVs@Scale Lab Consortium brings together national laboratories and key stakeholders to conduct infrastructure research and development (R&D) that advances innovations in, and sets unified standards for, high-power and wireless charging. The effort will also develop technologies to integrate vehicle charging with the power grid, and develop cybersecurity measures to protect drivers, vehicles, equipment, and the grid. The first hybrid EVs@Scale Lab Consortium Semiannual Stakeholder Meeting was held at ANL on September 27-28, 2023, to identify research, development, and deployment needs to accelerate technology development for electric vehicles at scale and explore opportunities for collaboration across government, academia, and industry.

advanced charging and grid interface technologies↗