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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 703 records · Page 39

Exploring the Use of Novel Spatial Accelerators in Scientific Applications

Driven by the need to find alternative accelerators which can viably replace GPUs in next-generation Supercomputing systems, this paper proposes a methodology to enable agile application/hardware co-design. The application-first methodology provides the ability to come up with design of accelerators while working with real-world workloads, available accelerators, and system software. The iterative design process targets a set of kernels in a workload for performance estimates that can prune the design space for later phases of detailed architectural evaluations. To this effect, in this paper, a novel data-parallel device model is introduced that simulates the latency of performance-sensitive operations in an accelerator including data transfers and kernel computation using multi-core CPUs. The use of off-the-shelf simulators, such as pre-RTL simulator Aladdin or multiple tools available for exploring the design of deep neural network accelerators (e.g., Timeloop) is demonstrated for evaluation of various accelerator designs using applications with realistic inputs. Examples of multiple device configurations that are instantiable in a system are explored to evaluate the performance benefit of deploying novel accelerators. The proposed device is integrated with a programming model and system software to potentially explore the impacts of high-level programming languages/compilers and low-level effects such as task scheduling on multiple accelerators. We analyze our methodology for a set of applications that represent high-performance computing (HPC) and graph analytics. The applications include a computational chemistry kernel realized using tensor contractions, triangle counting, GraphSAGE and Breadth-first Search. These applications include kernels such as dense matrix-dense matrix multiplication, sparse matrix-spare matrix multiplication, and sparse matrix-dense vector multiplication. Our results indicate potential performance benefits and insights for system design by including accelerators that realize these kernels along-side general purpose accelerators.

AI, codesign, Accelerated Computing, Modeling and ↗

pnnl/FLOWER

Network FLOW analyzER - Network bi-directional deep packet header inspection. This software is designed to generate custom network flow records by monitoring bi-directional traffic from a span port, tap or other source. This function is independent of proprietary hardware or software solutions. This tool solves the problem of existing COTS solutions being either too complex or too slow.

Curtis, Darren↗

Designing Ground Antennas for Maximum G/T: Cassegrain or Gregorian?

For optimum performance, a ground antenna system must maximize the ratio of received signal to the receiving system noise power, defined as the ratio of antenna gain to system-noise temperature (G/T). The total system noise temperature is the linear combination of the receiver noise temperature (including the feed system losses) and the antenna noise contribution. Hence, for very low noise cryogenic receiver systems, antenna noise-temperature properties are very significant contributors to G/T.It is well known that, for dual reflector systems designed for maximum gain, the gain performance of the antenna system is the same for both Cassegrain and Gregorian configurations. For a12-meter antenna designed to be part of the large array based Deep Space Network, a Cassegrain configuration designed for maximum G/T at X-band was 0.7 dB higher than the equivalent Gregorian configuration. This study demonstrates that, for maximum GIT, the dual shaped Cassegrain design is always better than the Gregorian.

ground antennas↗

Complex Oxides for Brain–Inspired Computing: A Review

The fields of brain-inspired computing, robotics, and, more broadly, artificial intelligence (AI) seek to implement knowledge gleaned from the natural world into human-designed electronics and machines. In this review, the opportunities presented by complex oxides, a class of electronic ceramic materials whose properties can be elegantly tuned by doping, electron interactions, and a variety of external stimuli near room temperature, are discussed. The review begins with a discussion of natural intelligence at the elementary level in the nervous system, followed by collective intelligence and learning at the animal colony level mediated by social interactions. An important aspect highlighted is the vast spatial and temporal scales involved in learning and memory. The focus then turns to collective phenomena, such as metal-to-insulator transitions (MITs), ferroelectricity, and related examples, to highlight recent demonstrations of artificial neurons, synapses, and circuits and their learning. First-principles theoretical treatments of the electronic structure, and in situ synchrotron spectroscopy of operating devices are then discussed. The implementation of the experimental characteristics into neural networks and algorithm design is then revewed. Finally, outstanding materials challenges that require a microscopic understanding of the physical mechanisms, which will be essential for advancing the frontiers of neuromorphic computing, are highlighted.

36 MATERIALS SCIENCE↗

Design of thrust vectoring exhaust nozzles for real-time applications using neural networks

Thrust vectoring continues to be an important issue in military aircraft system designs. A recently developed concept of vectoring aircraft thrust makes use of flexible exhaust nozzles. Subtle modifications in the nozzle wall contours produce a non-uniform flow field containing a complex pattern of shock and expansion waves. The end result, due to the asymmetric velocity and pressure distributions, is vectored thrust. Specification of the nozzle contours required for a desired thrust vector angle (an inverse design problem) has been achieved with genetic algorithms. This approach is computationally intensive and prevents the nozzles from being designed in real-time, which is necessary for an operational aircraft system. An investigation was conducted into using genetic algorithms to train a neural network in an attempt to obtain, in real-time, two-dimensional nozzle contours. Results show that genetic algorithm trained neural networks provide a viable, real-time alternative for designing thrust vectoring nozzles contours. Thrust vector angles up to 20 deg were obtained within an average error of 0.0914 deg. The error surfaces encountered were highly degenerate and thus the robustness of genetic algorithms was well suited for minimizing global errors.

Prasanth, Ravi K.↗

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗

Efficient training of physics-informed neural networks

Open-source software package designed for the efficient training of Physics-Informed Neural Networks (PINNs) and their variants, integrating advanced methodologies such as adaptive weighting and adaptive sampling

Chen, Wenqian [Pacific Northwest National Laborato↗

Promoting Lifelong Ocean Education: Shaping Tomorrow's Earth Stewards and the Science and Technology Workforce

The coming ocean observing systems provide an unprecedented opportunity to change both the public perception of our oceans, and to inspire, captivate and motivate our children, our young adults and even our fellow adults to pursue careers allied with the oceans and to become stewards of our Planet's last unexplored environment. Education plans for the operational component, the Integrated Ocean Observing System (IOOS), and for the research component, Ocean Research Interactive Observatory Networks (ORION), are designed to take advantage of this opportunity. In both cases, community recommendations were developed within the context of the following assumptions: 1. Utilize research on how people learn, especially the four-pronged model of simultaneous learner-centered, knowledge-center, assessment-centered and community-centered learning 2. Strive for maximum impact on national needs in science and technology learning 3. Build on the best of what is already in place 4. Pay special attention to quality, sustainability, and scalability of efforts 5. Use partnerships across federal, state and local government, academia, and industry. Community recommendations for 100s and ORION education have much in common and offer the opportunity to create a coherent education effort allied with ocean observing systems. Both efforts focus on developing the science and technology workforce of the future, and the science and technology literacy of the public within the context of the Earth system and the role of the oceans and Great Lakes in that system. Both also recognize that an organized education infrastructure that supports sustainability and scalability of education efforts is required if ocean observing education efforts are to achieve a small but measurable improvement in either of these areas. Efforts have begun to develop the education infrastructure by beginning to form a community of educators from existing ocean and aquatic education networks and by exploring needs and issues associated with using ocean observing information assets in education. Likewise efforts are underway to address workforce issues by a systematic analysis of current and future workforce and educational needs. These activities will be described as will upcoming opportunities for the community to participate in these efforts.

Meeson, Blanche↗

SQMS Quantum R&D in Machine Learning, Optimization and Sensing beyond Fundamental Physics Applications

This newly formed team at SQMS under the Ecosystem Thrust is looking to develop capabilities impacting societal advances outside the core domain of HEP and condensed matter physics. We explicitly leverage the experimental and algorithmic innovations developed across all groups as well as connect to broad-scope external projects of the diverse team of PIs. As the inaugural set of projects, we are studying numerically quantum machine learning models inspired by efficiently trainable echo-state and orthogonal neural networks and developing designs for related experiments to be performed on quantum processors based on SQMS SRF cQED technology and Rigetti s transmon arrays. Investigated models exploit ideas and lessons learned from multiple prior work by SQMS team members in a variety of internal and external activities [R1]. Target initial applications include noisy signal processing, potentially captured by quantum sensors or noisy QPUs, as well as simulation and classification of healthcare data. For instance, image reconstruction of the brain s electrical properties by solving the inverse Maxwell equation problem with uncertainty [R2] through a hybrid quantum-classical physics-informed architecture for time-dependent processes [R3]. The group is also investigating the application and development of novel quantum sensors based on magnetic levitation of a superconducting sphere coupled to a superconducting qubit. This coupling enables high-precision measurements of the position of the sphere, which can be used for sensitive detection of forces, enabling practical applications such as gravimetry for geophysics analysis, or accelerometry for GPS-denied navigation [R4] [R1] Rieffel, Eleanor G., Ata Akbari Asanjan, M. Sohaib Alam, Namit Anand, David E. Bernal Neira, Sophie Block, Lucas T. Brady et al. "Assessing and advancing the potential of quantum computing: A NASA case study." Future Generation Computer Systems (2024). [R2] Yu, X., Serrall s, J.E., Giannakopoulos, I.I., Liu, Z., Daniel, L., Lattanzi, R. and Zhang, Z., 2023. Pifon-ept: Mr-based electrical property tomography using physics-informed fourier networks. IEEE Journal on Multiscale and Multiphysics Computational Techniques. [R3] Wudarski, Filip, Daniel OConnor, Shaun Geaney, Ata Akbari Asanjan, Max Wilson, Elena Strbac, P. Aaron Lott, and Davide Venturelli. "Hybrid quantum-classical reservoir computing for simulating chaotic systems." arXiv preprint arXiv:2311.14105 (2023). [R4] Higgins, Gerard, Saarik Kalia, and Zhen Liu. "Maglev for dark matter: Dark-photon and axion dark matter sensing with levitated superconductors." Physical Review D 109.5 (2024): 055024.

Venturelli, Davide↗

An investigation of networking techniques for the ASRM facility

This report is based on the early design concepts for a communications network for the Advanced Solid Rocket Motor (ASRM) facility being built at Yellow Creek near Iuka, MS. The investigators have participated in the early design concepts and in the evaluation of the initial concepts. The continuing system design effort and any modification of the plan will require a careful evaluation of the required bandwidth of the network, the capabilities of the protocol, and the requirements of the controllers and computers on the network. The overall network, which is heterogeneous in protocol and bandwidth, is being modeled, analyzed, simulated, and tested to obtain some degree of confidence in its performance capabilities and in its performance under nominal and heavy loads. The results of the proposed work should have an impact on the design and operation of the ASRM facility.

Moorhead, Robert J., II↗

Reliability Modeling of Microelectromechanical Systems Using Neural Networks

Microelectromechanical systems (MEMS) are a broad and rapidly expanding field that is currently receiving a great deal of attention because of the potential to significantly improve the ability to sense, analyze, and control a variety of processes, such as heating and ventilation systems, automobiles, medicine, aeronautical flight, military surveillance, weather forecasting, and space exploration. MEMS are very small and are a blend of electrical and mechanical components, with electrical and mechanical systems on one chip. This research establishes reliability estimation and prediction for MEMS devices at the conceptual design phase using neural networks. At the conceptual design phase, before devices are built and tested, traditional methods of quantifying reliability are inadequate because the device is not in existence and cannot be tested to establish the reliability distributions. A novel approach using neural networks is created to predict the overall reliability of a MEMS device based on its components and each component's attributes. The methodology begins with collecting attribute data (fabrication process, physical specifications, operating environment, property characteristics, packaging, etc.) and reliability data for many types of microengines. The data are partitioned into training data (the majority) and validation data (the remainder). A neural network is applied to the training data (both attribute and reliability); the attributes become the system inputs and reliability data (cycles to failure), the system output. After the neural network is trained with sufficient data. the validation data are used to verify the neural networks provided accurate reliability estimates. Now, the reliability of a new proposed MEMS device can be estimated by using the appropriate trained neural networks developed in this work.

Perera. J. Sebastian↗

A technique to make an enterprise network a Darknet on the Internet, while providing required services to authorized users

In a well-designed and secure enterprise network, the hosts inside the network are not directly accessible from the Internet. The enterprise firewall blocks direct access to hosts inside the enterprise network and also blocks any attempts to probe or discover information about those hosts from the Internet. However, access to the enterprise network from the Internet is a must in today’s day and age. Hence, specialized mechanisms to allow secure access are implemented.

97 MATHEMATICS AND COMPUTING↗

The Transient Covalent Bond in Abiotic Nonequilibrium Systems

Abstract Biochemical systems accomplish many critical functions with by operating out‐of‐equilibrium using the energy of chemical fuels. The formation of a transient covalent bond is a simple but very effective tool in designing analogous reaction networks. This Minireview focuses on the fuel chemistries that have been used to generate transient bonds in recent demonstrations of abiotic nonequilibrium systems (i.e., systems that do not make use of biological components). Fuel reactions are divided into two fundamental classifications depending on whether the fuel contributes structural elements to the activated state, a distinction that dictates how they can be used. Reported systems are further categorized by overall fuel reaction (e.g., hydrolysis of alkylating agents, carbodiimide hydration) and illustrate how similar chemistry can be used to effect a wide range of nonequilibrium behavior, ranging from self‐assembly to the operation of molecular machines.

Kariyawasam, Lasith S.↗

The Transient Covalent Bond in Abiotic Nonequilibrium Systems

Biochemical systems accomplish many critical functions with by operating out-of-equilibrium using the energy of chemical fuels. The formation of a transient covalent bond is a simple but very effective tool in designing analogous reaction networks. This Minireview focuses on the fuel chemistries that have been used to generate transient bonds in recent demonstrations of abiotic nonequilibrium systems (i.e., systems that do not make use of biological components). Here, fuel reactions are divided into two fundamental classifications depending on whether the fuel contributes structural elements to the activated state, a distinction that dictates how they can be used. Reported systems are further categorized by overall fuel reaction (e.g., hydrolysis of alkylating agents, carbodiimide hydration) and illustrate how similar chemistry can be used to effect a wide range of nonequilibrium behavior, ranging from self-assembly to the operation of molecular machines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Machine Learning‐Guided Discovery of High‐Entropy Perovskite Oxide Electrocatalysts via Oxygen Vacancy Engineering

Abstract High‐entropy perovskite oxides (HEPOs) have recently emerged as multifunctional catalysts. However, the HEPOs’ structural and compositional complexity hinders the easy and accurate extrapolation of activity indicators, which are essential for establishing structure‐property correlations. Here, OxiGraphX, is introduced as a novel graph neural network (GNN) model designed to capture the complex relationships among structure, composition, and atomic chemical environments for accurate prediction of oxygen vacancy formation energies (OVFEs) in HEPOs. By integrating machine learning (ML), density functional theory (DFT), and experimental validation, this work demonstrates an efficient framework for rapidly and accurately screening HEPO electrocatalysts for oxygen evolution reaction (OER). The OxiGraphX predicts OVFEs with a precision exceeding existing data, enabling the identification of compositions of higher oxygen vacancy content (OVC) and, thus, higher catalytic activity. Furthermore, the model explores latent spaces that translate effectively into experimental domains, bridging computational predictions with real‐world applications. This approach accelerates the discovery of high‐performance HEPO catalysts while providing deeper insights into their catalytic mechanisms.

Chemistry↗

Privacy-preserving federated learning: Application to behind-the-meter solar photovoltaic generation forecasting

Here, the growing usage of decentralized renewable energy sources has made accurate estimation of their aggregated generation crucial for maintaining grid flexibility and reliability. However, the majority of distributed photovoltaic (PV) systems are behind-the-meter (BTM) and invisible to utilities, leading to three challenges in obtaining an accurate forecast of their aggregated output. Firstly, traditional centralized prediction algorithms used in previous studies may not be appropriate due to privacy concerns. There is therefore a need for decentralized forecasting methods, such as federated learning (FL), to protect privacy. Secondly, there has been no comparison between localized, centralized, and decentralized forecasting methods for BTM PV production, and the trade-off between prediction accuracy and privacy has not been explored. Lastly, the computational time of data-driven prediction algorithms has not been examined. This article presents a FL power forecasting method for PVs, which uses federated learning as a decentralized collaborative modeling approach to train a single model on data from multiple BTM sites. The machine learning network used to design this FL-based BTM PV forecasting model is a multi-layered perceptron, which ensures privacy and security of the data. Comparing the suggested FL forecasting model to non-private centralized and entirely private localized models revealed that it has a high level of accuracy, with an RMSE that is 18.17% lower than localized models and 9.9% higher than centralized models.

14 SOLAR ENERGY↗