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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantifying Negative Effects of Carbon-Binder Networks from Electrochemical Performance of Porous Li-Ion Electrodes

Porous Li-ion electrodes contain active particles, ion transporting electrolyte, and carbon-binder networks. While macrohomogeneous models are often used to predict electrode behavior, accurate predictions remain challenging, owing to the incomplete understanding of the critical role of carbon-binder networks and how they affect the electrochemical response. The present study systematically characterizes these effects in terms of effective properties by utilizing macrohomogeneous models to analyze the measured responses for electrodes with different carbon-binder content, electrode thickness, and porosity but with identical materials. We find that the impact of the carbon-binder network is more severe than previously thought. Even for low carbon-binder content (5 %wt. dry electrode), the presence of the network decreases the reaction area and increases the ion transport resistance, negatively impacting electrode performance. These effects scale with not just porosity or active material volume but also with carbon-binder content. The findings underscore the importance of connecting all effective properties to electrode specifications in a full factorial sense to transform the electrode design paradigm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Regulatory Protection and Control Standards Applicable to The Vietnam Grid Under High Inverter-Based Resource (IBR) Penetration: A Review of Standards Applicable for Vietnam Grid

This report provides a review of the current standards and practices followed by regulatory authorities for interconnection of inverter-based resources (IBR). With the increased penetration of IBRs into the transmission and distribution networks, the legacy protection methodologies are getting challenged. Due to the lack of regulations on IBR operations under a fault it is essential to have a thorough understanding of the present-day interconnection standards to ensure proper IBR operations. A focus is placed on the regulation and standards enforced by the North American Reliability Corporation (NERC), Federal Energy Regulatory Commission (FERC), Institute of Electrical and Electronics Engineer (IEEE), Underwriters Laboratories (UL) and other regulations proposed by the responsible commissions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Towards machine-learning a fully-coupled constitutive model for thermal-hydraulic fracture in geothermal systems: phase I (Final Report)

This project, entitled “Towards machine-learning a fully-coupled constitutive model for thermal-hydraulic fracture in geothermal systems: phase I,” addresses challenges in understanding and controlling subsurface fracture networks, which are crucial for applications like deep geothermal heat mining and deep-crustal minerals/metals/hydrogen extraction. The research focuses on advancing the understanding of coupled thermal-hydro-mechanical-chemical (THMC) processes in geologic materials, particularly under the high temperature and pressure conditions found in the deep crust. This seed grant focused specifically on thermal cracking and the development of new constitutive models. Significant progress was made in both experimental and theoretical domains. To study micro-scale fracture formation, the project demonstrated the ability to create thermal cracking under stress in granite samples using a Paterson Gas-medium Deformation Apparatus.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Charting the native architecture of Chlamydomonas thylakoid membranes with single-molecule precision

Thylakoid membranes scaffold an assortment of large protein complexes that work together to harness the energy of light. It has been a longstanding challenge to visualize how the intricate thylakoid network organizes these protein complexes to finely tune the photosynthetic reactions. Previously, we used in situ cryo-electron tomography to reveal the native architecture of thylakoid membranes (Engel et al., 2015). Here, we leverage technical advances to resolve the individual protein complexes within these membranes. Combined with a new method to visualize membrane surface topology, we map the molecular landscapes of thylakoid membranes inside green algae cells. Our tomograms provide insights into the molecular forces that drive thylakoid stacking and reveal that photosystems I and II are strictly segregated at the borders between appressed and non-appressed membrane domains. This new approach to charting thylakoid topology lays the foundation for dissecting photosynthetic regulation at the level of single protein complexes within the cell.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2010

Endpoint Naming for Space Delay/Disruption Tolerant Networking

Delay/Disruption Tolerant Networking (DTN) provides solutions to space communication challenges such as disconnections when orbiters lose line-of-sight with landers, long propagation delays over interplanetary links, and other operational constraints. DTN is critical to enabling the future space internetworking envisioned by NASA. Interoperability with international partners is essential and standardization is progressing through both the CCSDS and the IETF.

Space Communications↗
NASA NTRSDate not supplied

AgMIP Local, National and Global Assessments of Food System Challenges in A Changing Climate

Food systems connect a diverse network of stakeholders around the world, with complex dynamics governing production, processing, transportation, trade and consumption of food products. Extreme conditions can disrupt multiple components of the food system, with systemic connections providing structure that can both buffer and exacerbate risks. Climate change is shifting current practices in agricultural production and the broader food system, encouraging shifts toward more diverse value chains capable of drawing from multiple food producing regions to reduce the chance that an entire value chain be subject to simultaneous impacts. The IPCC Working Group I report assessed that heat waves, fires, floods and severe storms are becoming more pronounced and widespread with each degree of global warming, increasing food system risk. Food system disruptions can also come from outside the climate system, including from viral outbreaks, geopolitical conflict and socioeconomic changes. This presentation will highlight how the Agricultural Model Intercomparison and Improvement Project (AgMIP) develops modeling approaches that connect climate, biophysical and socioeconomic models in order to capture complex responses of the food system and potential interventions by diverse stakeholders in the public and private sectors. Models are applied on a range of scales that match decision contexts. These include households in specific agricultural production regions (e.g., within a country), national-level policymakers considering policies, sustainability and development priorities for a country’s agricultural sector, and global food market models that balance production and consumption around the world with competition for land, water, energy and sustainability priorities. Models are capable of capturing many important responses, but further development is needed to represent key systemic risks and the possibility for additional interventions beyond the farm gate. Improved food system models will provide important insights into our society’s ability to cope with climate change, as well as our ability to identify agricultural adaptation and mitigation opportunities to reduce overall risk.

Food systems↗
DOE OSTI2022

Microgrid Communications Using the Open-Source Open Field Message Bus (OpenFMB) Framework Applied to a 480V, 100kW Laboratory Microgrid

Microgrids require an extensive communication infrastructure to allow interoperability between the microgrid controller and assets. However, the lack of standardization of data structures combined with the variety of communication protocols poses several challenges to the implementation of a communication network. This paper presents an application of the open-source Open Field Message Bus (OpenFMB) framework to simplify the communication layer in microgrids. This work leverages the OpenFMB protocol translation and data model extensions to reduce the complexity in the microgrid communications. Conducted in a laboratory microgrid, the case study demonstrates how the OpenFMB provides predefined data models and simplifies the communication layer by providing information exchange between multiple legacy communication protocols.

Ferrari Maglia, Max↗
NASA NTRS2021

Applying the Cognitive Space Gateway to Swarm Topologies

NASA's future vision for interplanetary networking includes a lunar network, Cube Satellite (CubeSat) constellations, and deep space robotic missions, comprising what could be viewed as a network of networks. Delay-tolerant networking (DTN) architecture and protocols provide a standard network layer among these varying scenarios and mitigate many challenges of the space environment, such as long delays, unplanned service interruptions, and asymmetric links. The Cognitive Space Gateway (CSG) is a routing method in a DTN architecture that uses spiking neural networks as the learning element to optimize routing decisions in a complex environment. This work aims to further develop cognitive networking technologies in several critical areas, including DTN, the CSG algorithm, CubeSat swarm topologies, and cloud services. To test the algorithm in a realistic scenario, the emulated network topology is based on a CubeSat swarm. The swarm may function as a mesh of nodes or as a hub-and-spoke network. An emulation environment will be built upon a commercial cloud service, such as Amazon Web Services (AWS) Elastic Compute Cloud. The cloud environment may enable a flexible, lower maintenance approach versus a multi-hop network based in a physical laboratory. The cloud platform will provide a secure environment allowing for collaboration among government and academic entities.

Ricardo Lent↗
NASA NTRSDate not supplied

Applying the Cognitive Space Gateway to Swarm Topologies

NASA’s future vision for interplanetary networking includes a lunar network, Cube Satellite (CubeSat) constellations, and deep space robotic missions, comprising what could be viewed as a network of networks. Delay-tolerant networking (DTN) architecture and protocols provide a standard network layer among these varying scenarios and mitigate many challenges of the space environment, such as long delays, unplanned service interruptions, and asymmetric links. The Cognitive Space Gateway (CSG) is a routing method in a DTN architecture that uses spiking neural networks as the learning element to optimize outing decisions in a complex environment. This work aims to further develop cognitive networking technologies in several critical areas, including DTN, the CSG algorithm, SmallSat swarm topologies, and cloud services. The CSG algorithm is tested in a realistic scenario in which the emulated network topology is based on a SmallSat swarm. The emulation environment will be built upon a commercial cloud service, such as Amazon Web Services (AWS) Elastic Compute Cloud. This work investigates the ability of such a platform to enable a flexible, lower maintenance approach to creating a multihop network outside of a physical laboratory. The cloud platform will provide a secure environment allowing for collaboration among government and academic entities.

Ricardo Lent↗
DOE OSTI2024

RandONets: Shallow networks with random projections for learning linear and nonlinear operators

Deep neural networks have been extensively used for the solution of both the forward and the inverse problem for dynamical systems. However, their implementation necessitates optimizing a high-dimensional space of parameters and hyperparameters. This fact, along with the requirement of substantial computational resources, pose a barrier to achieving high numerical accuracy, but also interpretability. Here, to address the above challenges, we present Random Projection-based Operator Networks (RandONets): shallow networks with random projections and tailor-made numerical analysis methods that learn accurately and fast linear and nonlinear operators. Building on previous works, we prove that RandOnets are universal approximators of linear and nonlinear operators. Due to their simplicity, RandONets provide a one-step transformation of the input space, facilitating interpretability. For the evaluation of their performance, we focus on operators of PDEs. We show, that RandONets outperform by several orders of magnitude, both in terms of numerical approximation accuracy and computational cost, the “vanilla” DeepONets. Hence, we believe that our method will trigger further developments in the field of scientific machine learning, for the development of new ‘’light”schemes that will provide high accuracy while reducing dramatically the computational cost. A MATLAB toolbox for RandONets, including demos, is available on GitHub at https://github.com/GianlucaFabiani/RandONets.

Interpretable machine learning↗
NASA NTRS2005

Developing a Framework for Effective Network Capacity Planning

As Internet traffic continues to grow exponentially, developing a clearer understanding of, and appropriately measuring, network's performance is becoming ever more critical. An important challenge faced by the Information Resources Directorate (IRD) at the Johnson Space Center in this context remains not only monitoring and maintaining a secure network, but also better understanding the capacity and future growth potential boundaries of its network. This requires capacity planning which involves modeling and simulating different network alternatives, and incorporating changes in design as technologies, components, configurations, and applications change, to determine optimal solutions in light of IRD's goals, objectives and strategies. My primary task this summer was to address this need. I evaluated network-modeling tools from OPNET Technologies Inc. and Compuware Corporation. I generated a baseline model for Building 45 using both tools by importing "real" topology/traffic information using IRD's various network management tools. I compared each tool against the other in terms of the advantages and disadvantages of both tools to accomplish IRD's goals. I also prepared step-by-step "how to design a baseline model" tutorial for both OPNET and Compuware products.

Yaprak, Ece↗
DOE OSTI2025

The Persistent Challenge of Data Locality in the Post-Exascale Era

The era of exascale computing, exemplified by systems like Frontier achieving exaflop-level performance, marks a milestone. However, the quest for sheer compute power leads to strong imbalance in system design. Hence, scaling advancements in memory, network bandwidth, and storage are also necessary and pose challenges, with a crucial need to address data locality issues. This article underscores the fundamental importance of data locality as a key abstraction for optimizing application performance. Despite notable software solutions, the growing complexity of parallelism and memory hierarchy demands performance-portable data locality solutions across diverse computing platforms. Additionally, the article revisits data locality aspects, covering hardware considerations, application perspectives, software stack abstractions, and tool support. It concludes with insights into data locality challenges and opportunities, emphasizing the ongoing significance of collaborative research for progress in this critical issue.

Unat, Didem [Koc University, Istanbul (Turkey)] (O↗
DOE OSTI2021

Climate warming enhances microbial network complexity and stability

Unravelling the relationships between network complexity and stability under changing climate is a challenging topic in theoretical ecology that remains understudied in the field of microbial ecology. Here, we examined the effects of long-term experimental warming on the complexity and stability of molecular ecological networks in grassland soil microbial communities. Warming significantly increased network complexity, including network size, connectivity, connectance, average clustering coefficient, relative modularity and number of keystone species, as compared with the ambient control. Molecular ecological networks under warming became significantly more robust, with network stability strongly correlated with network complexity, supporting the central ecological belief that complexity begets stability. Furthermore, warming significantly strengthened the relationships of network structure to community functional potentials and key ecosystem functioning. Furthermore, these results indicate that preserving microbial ‘interactions’ is critical for ecosystem management and for projecting ecological consequences of future climate warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

CoolPINNs: A physics-informed neural network modeling of active cooling in vascular systems

Emerging technologies like hypersonic aircraft, space exploration vehicles, and batteries avail fluid circulation in embedded microvasculatures for efficient thermal regulation. Modeling is vital during the design and operational phases of these engineered systems. However, many challenges exist in developing a modeling framework. What is lacking is an accurate framework that (i) captures sharp jumps in the thermal flux across complex vasculature layouts, (ii) deals with oblique derivatives (involving tangential and normal components), (iii) handles nonlinearity because of radiative heat transfer, (iv) provides a high-speed forecast for real-time monitoring, and (v) facilitates robust inverse modeling. Here, this paper addresses these challenges by availing the power of physics-informed neural networks (PINNs). We develop a fast, reliable, and accurate Scientific Machine Learning (SciML) framework for vascular-based thermal regulation—called CoolPINNs: a PINNs-based modeling framework for active cooling. The proposed mesh-less framework elegantly overcomes all the mentioned challenges. The significance of the reported research is multi-fold. First, the framework is valuable for real-time monitoring of thermal regulatory systems because of rapid forecasting. Second, researchers can address complex thermoregulation designs since the approach is meshless. Finally, the framework facilitates systematic parameter identification and inverse modeling studies, perhaps the most significant utility of the current framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials

Abstract This work presents Neural Equivariant Interatomic Potentials (NequIP), an E(3)-equivariant neural network approach for learning interatomic potentials from ab-initio calculations for molecular dynamics simulations. While most contemporary symmetry-aware models use invariant convolutions and only act on scalars, NequIP employs E(3)-equivariant convolutions for interactions of geometric tensors, resulting in a more information-rich and faithful representation of atomic environments. The method achieves state-of-the-art accuracy on a challenging and diverse set of molecules and materials while exhibiting remarkable data efficiency. NequIP outperforms existing models with up to three orders of magnitude fewer training data, challenging the widely held belief that deep neural networks require massive training sets. The high data efficiency of the method allows for the construction of accurate potentials using high-order quantum chemical level of theory as reference and enables high-fidelity molecular dynamics simulations over long time scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

SMALE: Enhancing Scalability of Machine Learning Algorithms on Extreme-Scale Computing Platforms

Deployment and execution of machine learning tasks on extreme-scale computing platforms face several significant technical challenges: 1) High computing cost incurred by dense networks – The computing workload of deep networks with densely-connected topology increases rapidly with the network size, imposing a non-scalable computing model of extreme-scale computing platforms; 2) Non-optimized workload distribution – Many advanced deep learning algorithms, e.g., sparsification and irregular net-work topology, produce very unbalanced workload distribution on extreme-scale computing platforms. The computation efficiency is greatly hindered by the incurred data and computation redundancies as well as long tails of the node with extensive workload; 3) Constraints in data movement and I/O bottle-neck – Inter-node data movement in extreme-scale computing platforms are associated with high energy and latency costs, and subject to the constraints of I/O bandwidth; and 4) Generalization of algorithm realization and acceleration on computing platforms – The large varieties of machine learning algorithms and structures of extreme-scale computing platforms make the derivation of a generalized algorithm realization and acceleration method very challenging, which, however, is the requirement by domain scientists and interested users. We call the above challenges Smale’s Problems in Machine Learning and Understanding for High-Performance Computing Scientific Discovery. The objective of our three-year research project is to develop a holistic innovation set at structure, assembly, and acceleration layers of machine learning algorithms to address the above challenges in algorithm deployment and execution. Three tasks are particularly performed, including: At the algorithm structure level, we investigate the techniques that can structurally sparsify on the topology of deep networks for computing workload reduction. We also study clustering and pruning techniques that can optimize the workload distributions over the extreme-scale computing platforms; At the algorithm assembly level, we derive a unified learning framework for unsupervised transfer learning and dynamic growing capabilities. Novel training methods are also exploited to enhance the training efficiency of the proposed framework; At the algorithm acceleration level, we will develop a series of techniques that can accelerate the computation of sparse matrix operations, which are one of the core executions in deep learning and optimize memory access of the concerned platforms. Our proposed techniques attack the fundamental problems in machine learning algorithms running on extreme-scale computing platforms by vertically integrating the solutions at three closely entangled layers, paving the long-term scaling path of machine learning applications under DOE context. Three tasks corresponding to the above respective research orientations are performed during the three-year project period with our collaborators at ORNL. The outcome of the proposed project is anticipated to form a holistic solution set of novel algorithms and network topologies, efficient training techniques, and fast acceleration methods to promote the computing scalability of the machine learning applications of particular interest to DOE.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

ChemComp: Compiling and Computing with Chemical Reaction Networks

The exponential growth in computing demands driven by scientific computing, data analytics, and artificial intelligence is pushing conventional CMOS-based high-performance computing systems to their physical and energy efficiency limits. As we approach the era of post-exascale computing, disruptive approaches are necessary to overcome these barriers and achieve substantial gains in energy efficiency. Analog and hybrid digital-analog computing systems have emerged as promising alternatives, offering the potential for orders-of-magnitude improvements in efficiency. Among these, biochemical computing stands out as a novel paradigm capable of leveraging the natural efficiency of chemical reactions, which have shown promise in solving optimization problems by converging to steady states. By scaling up reaction networks or reaction vessel sizes, biochemical systems present an opportunity to meet the high-performance demands of modern computing tasks. Despite their promise, significant theoretical and practical challenges remain, particularly in formulating and mapping computational problems to chemical reaction networks (CRNs) and designing viable biochemical computing devices. This paper addresses these challenges by introducing new ideas to ChemComp, a compilation and emulation framework for chemical computation. This work describes the mechanisms through which solutions to ordinary differential equations (ODEs) that can be represented as CRN systems can be achieved. Furthermore, we explain the design principles of an ODE dialect implemented as a multi-level intermediate representation (MLIR) compiler extension that will be coupled with existing infrastructure. We demonstrate the potential of our framework through a case study emulating a simplified chemical reservoir computing device. This work establishes foundational tools and methodologies necessary to harness the computational power of chemistry, paving the way for the development of energy-efficient, high-performance computing systems tailored to contemporary and future computational needs.

Bohm Agostini, Nicolas↗
DOE OSTI2021

In situ Parallel Training of Analog Neural Network Using Electrochemical Random-Access Memory

In-memory computing based on non-volatile resistive memory can significantly improve the energy efficiency of artificial neural networks. However, accurate in situ training has been challenging due to the nonlinear and stochastic switching of the resistive memory elements. One promising analog memory is the electrochemical random-access memory (ECRAM), also known as the redox transistor. Its low write currents and linear switching properties across hundreds of analog states enable accurate and massively parallel updates of a full crossbar array, which yield rapid and energy-efficient training. While simulations predict that ECRAM based neural networks achieve high training accuracy at significantly higher energy efficiency than digital implementations, these predictions have not been experimentally achieved. In this work, we train a 3 × 3 array of ECRAM devices that learns to discriminate several elementary logic gates (AND, OR, NAND). We record the evolution of the network’s synaptic weights during parallel in situ (on-line) training, with outer product updates. Due to linear and reproducible device switching characteristics, our crossbar simulations not only accurately simulate the epochs to convergence, but also quantitatively capture the evolution of weights in individual devices. The implementation of the first in situ parallel training together with strong agreement with simulation results provides a significant advance toward developing ECRAM into larger crossbar arrays for artificial neural network accelerators, which could enable orders of magnitude improvements in energy efficiency of deep neural networks.

97 MATHEMATICS AND COMPUTING↗