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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 397 records · Page 22

Inverse design of two-dimensional materials with invertible neural networks

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable manner remains a highly challenging task. To tackle this problem, we propose an inverse design framework (MatDesINNe) utilizing invertible neural networks which can map both forward and reverse processes between the design space and target property. This approach can be used to generate materials candidates for a designated property, thereby satisfying the highly sought-after goal of inverse design. We then apply this framework to the task of band gap engineering in two-dimensional materials, starting with MoS 2 . Within the design space encompassing six degrees of freedom in applied tensile, compressive and shear strain plus an external electric field, we show the framework can generate novel, high fidelity, and diverse candidates with near-chemical accuracy. We extend this generative capability further to provide insights regarding metal-insulator transition in MoS 2 which are important for memristive neuromorphic applications, among others. This approach is general and can be directly extended to other materials and their corresponding design spaces and target properties.

36 MATERIALS SCIENCE↗

Full Service ISDN Satellite (FSIS) network model for advanced ISDN satellite design and experiments

The Full Service Integrated Services Digital Network (FSIS) network model for advanced satellite designs describes a model suitable for discrete event simulations. A top down model design uses the Advanced Communications Technology Satellite (ACTS) as its basis. The ACTS and the Interim Service ISDN Satellite (ISIS) perform ISDN protocol analyses and switching decisions in the terrestrial domain, whereas FSIS makes all its analyses and decisions on-board the ISDN satellite.

Pepin, Gerard R.↗

From Protein Design to the Energy Landscape of a Cold Unfolding Protein

Understanding protein folding is crucial for protein sciences. The conformational spaces and energy landscapes of cold (unfolded) protein states, as well as the associated transitions, are hardly explored. Furthermore, it is not known how structure relates to the cooperativity of cold transitions, if cold and heat unfolded states are thermodynamically similar, and if cold states play important roles for protein function. We created the cold unfolding 4-helix bundle DCUB1 with a de novo designed bipartite hydrophilic/hydrophobic core featuring a hydrogen bond network which extends across the bundle in order to study the relative importance of hydrophobic versus hydrophilic protein–water interactions for cold unfolding. Structural and thermodynamic characterization resulted in the discovery of a complex energy landscape for cold transitions, while the heat unfolded state is a random coil. Below ~0 °C, the core of DCUB1 disintegrates in a largely cooperative manner, while a near-native helical content is retained. The resulting cold core-unfolded state is compact and features extensive internal dynamics. Below -5 °C, two additional cold transitions are seen, that is, (i) the formation of a water-mediated, compact, and highly dynamic dimer, and (ii) the onset of cold helix unfolding decoupled from cold core unfolding. Our results suggest that cold unfolding is initiated by the intrusion of water into the hydrophilic core network and that cooperativity can be tuned by varying the number of core hydrogen bond networks. Protein design has proven to be invaluable to explore the energy landscapes of cold states and to robustly test related theories.

59 BASIC BIOLOGICAL SCIENCES↗

Open Watershed Science by Design: Leveraging Distributed Research Networks to Understand Watershed Systems: Workshop Report

The workshop upon which this report is based was convened in response to a community-recognized need for greater openness and coordination of multiwatershed distributed research efforts that integrate across capabilities within the U.S. Department of Energy’s (DOE) Office of Biological and Environmental Research (BER) and link to those of other agencies. The science enabled by such an approach targets challenges and strategic directions articulated in the Biological and Environmental Research Advisory Committee’s (BERAC) 2017 grand challenges report (BERAC 2017) and the 2018 Climate and Environmental Sciences Division (CESD) strategic plan (U.S. DOE 2018). The BERAC report and CESD strategic plan both focus heavily on the need for integrative research to connect environmental microbes, multiomics, plant system dynamics, biogeochemical interactions, and hydrological processes to understand ecosystem function. The need to develop such connections across scales of space, time, and biological complexity is framed in the context of improving predictions of the Earth system in response to disturbance, including extreme events. This report summarizes the discussions and ideas that came from the watershed systems research community on how to use integrated, coordinated, open, and community-networked watershed science to advance BER’s efforts to link fundamental processes to emergent properties of watershed structure, function, and evolution. The ultimate goal is to enhance predictive capacity across scales up to the integrated Earth system.

54 ENVIRONMENTAL SCIENCES↗

The GPS Topex/Poseidon precise orbit determination experiment - Implications for design of GPS global networks

Topex/Poseidon, a cooperative satellite mission between United States and France, aims to determine global ocean circulation patterns and to study their influence on world climate through precise measurements of sea surface height above the geoid with an on-board altimeter. To achieve the mission science aims, a goal of 13-cm orbit altitude accuracy was set. Topex/Poseidon includes a Global Positioning System (GPS) precise orbit determination (POD) system that has now demonstrated altitude accuracy better than 5 cm. The GPS POD system includes an on-board GPS receiver and a 6-station GPS global tracking network. This paper reviews early GPS results and discusses multi-mission capabilities available from a future enhanced global GPS network, which would provide ground-based geodetic and atmospheric calibrations needed for NASA deep space missions while also supplying tracking data for future low Earth orbiters. Benefits of the enhanced global GPS network include lower operations costs for deep space tracking and many scientific and societal benefits from the low Earth orbiter missions, including improved understanding of ocean circulation, ocean-weather interactions, the El Nino effect, the Earth thermal balance, and weather forecasting.

Lindqwister, Ulf J.↗

Quantum Technologies for UAS (QTech)

Recent advances in small Unmanned Aerial System (sUAS) technologies lower the barriers for use by both private and commercial entities. However, these advances are also likely to lead to greater vehicle densities, a more heterogenous mix of vehicles and equipment and greater levels of vehicle autonomy, which can increase the chance for communications disruptions. For the safe and secure operation of these vehicles, it is essential to have a robust communications network. This work is focused on harnessing the power of quantum technologies to enable this robust communications network by: (1) utilizing quantum optimization algorithms to design robust network with routing redundancy that can respond adaptively to dynamically changing real-time environment and disruptions, (2) utilize quantum optimization algorithms resource allocation for detection, localization, and tracking of mobile communication disruption agents and (3) utilize quantum key distribution (QKD) to execute secure key sharing in anti-jamming protocols for secure radio frequency (RF) communication. Efforts to map these quantum optimization algorithms to commercially available quantum annealers and soon to be available general-purpose gate-model quantum hardware architectures will be reviewed, and plans for testing the solutions to these algorithms through indoor sUAS flight tests will be discussed. Lastly, efforts to miniaturize and practically deploy Quantum Key Distribution (QKD) hardware, which could ultimately be used to securely exchange encryption keys, in sUAS networks will be reviewed.

Quantum Computing↗

Design of multi-layer neural networks for accurate identification of nonlinear mappings

Guidelines for the design of multilayer neural networks for the identification of nonlinear mappings are considered. Since nonlinear mappings can be approximated by a one-hidden-layer neural network, an approach to determine the sufficient number of hidden layer nodes to achieve a global minima of the identification error function is considered.

Teixeira, Edilberto↗

Comminty Geothermal: Planning and Design of a Heating and Cooling System in Framingham, Massachusetts

These reports, plans, and drawings review the achievements of Home Energy Efficiency Team (HEET) and its partners to plan and design a network of interconnected ground-source heat pump systems, or geothermal network, in an area encompassing multiple environmental justice (EJ) neighborhoods in the City of Framingham, MA. The materials provided in this dataset include, a) stakeholder and design best practices, b) study on optimal method to interconnect geothermal loops, c) guidelines for monitoring and metering, d) operations and maintenance plans, e) permitting guidelines and f) 10-day driller tutorial curriculum. These materials can guide the efficient and ethical design of future geothermal networks nationwide. The capacity of the system is estimated at 217 tons and is designed to provide 100% of heating and cooling needs for the buildings connected to the loop. In this project, 80 boreholes are used as the main thermal resources, the distribution system (or loop) consists of 0.61 miles of an 8-inch single-pipe at ambient temperature, with the capacity to connect 44 buildings, including 13 apartment buildings from the Framingham Housing Authority, one transitional home, one school building and 29 single family homes. While Framingham already has a geothermal network loop that is currently in the commissioning stage, our proposed project is unique because it is the first utility-led expansion loop (2nd loop) project that will connect to an adjacent existing geothermal loop (1st loop) in a pre-existing neighborhood. Both the 1st and 2nd loops are being installed, owned and operated by Eversource Energy, the utility Deployment Partner.

15 GEOTHERMAL ENERGY↗

Future SDN-HPON Control Plane Architecture and Protocol for On-Demand Terabit End-to-End Extreme-Scale Science Applications

The UC Davis team conducted architecture, algorithm and experimental studies for next generation ultra-high-bandwidth optical networks in support of extreme-scale science applications. In particular, over the course of this 3-year project, the UC Davis team achieved the following main accomplishments: Designed a network architecture for automated multi-domain service provisioning: Designed information exchange schemes between autonomous systems (domains) Designed application programming interfaces to orchestrate resource reservation in data centers, high performance computation facilities, and communication networks belonging to different autonomous systems Experimentally assessed the multi-domain network architecture in a distributed field trial set-up connecting premises in three continents Designed a broker-based orchestrated multi-domain optical networking framework supporting observe-analyze-act cycle based cognitive inter-domain service provisioning: Designed an inter-domain operation mechanism, e.g., topology abstraction, for the broker plane and domain managers to collaboratively accomplish inter-domain service provisioning while respecting the autonomy of each administrative domain Designed an alien wavelength monitoring scheme and an artificial neural network based optical signal-to-noise ratio estimator for quality-of-transmission aware inter-domain service provisioning Developed a deep neural network based multi-domain traffic predictor and a cognitive routing and spectrum assignment algorithm to realize knowledge-based autonomous traffic engineering in multi-domain networks Implemented an optical signal-to-noise ratio estimator and traffic predictor with Google’s Tensor flow and assessed their performance using experimental and synthetic data Demonstrated the benefits of the proposed cognitive schemes with experiments ona two-domain elastic optical network testbed and evaluations on a six-domain simulation framework Built a two-domain software-defined networking control plane testbed using the ONOS platform and demonstrated the workflow of broker and domain manager cooperation, including hierarchical performance monitoring, topology abstraction and cognitive resource allocation. Designed self-learning cognitive service provisioning schemes using advanced machine learning technologies: Designed a self-taught anomaly detection framework for optical networks, including an unsupervised data clustering module for pattern recognition, a supervised data regression and classification module for online anomaly detection, and the system operation principle Experimentally validated the effectiveness of the self-taught anomaly detection framework with various failure/anomaly scenarios. Designed a self-learning autonomic routing, modulation and spectrum assignment (RMSA) provisioning framework for elastic optical networks with deep reinforcement learning. Designed effective modeling and training mechanisms for the self-learning RMSA framework Conducted extensive numerical simulations with various traffic patterns and topologies to verify the advantage of the self-learning RMSA framework.

42 ENGINEERING↗

The P-Mesh: A Commodity-based Scalable Network Architecture for Clusters

We designed a new network architecture, the P-Mesh which combines the scalability and fault resilience of a torus with the performance of a switch. We compare the scalability, performance, and cost of the hub, switch, torus, tree, and P-Mesh architectures. The latter three are capable of scaling to thousands of nodes, however, the torus has severe performance limitations with that many processors. The tree and P-Mesh have similar latency, bandwidth, and bisection bandwidth, but the P-Mesh outperforms the switch architecture (a lower bound for tree performance) on 16-node NAB Parallel Benchmark tests by up to 23%, and costs 40% less. Further, the P-Mesh has better fault resilience characteristics. The P-Mesh architecture trades increased management overhead for lower cost, and is a good bridging technology while the price of tree uplinks is expensive.

Nitzberg, Bill↗

Design issues in 2-port network models of bilateral remote manipulation

A two-port impedance-network model of a single-degree-of-freedom remote manipulation system in which a human operator at the master port interacts with a task object at the slave port in a remote location is presented. The design of the network involves the selection of feedback gains for the servomechanisms that transmit motion and force information from one port of the two-port to the other in both directions. The proposed methodology allows this selection to be based on both stability requirements and specifications of desired port impedances, given models of the task and the human operator. The resulting design guidelines guarantee stability for any passive task object at the slave port and any passive human impedance at the master port.

Raju, G. Jagannath↗

Time‐Lapse Image Classification Using a Diffractive Neural Network

Diffractive deep neural networks (D 2 NNs), comprised of spatially engineered passive surfaces, collectively process optical input information at the speed of light propagation through a thin diffractive volume, without any external computing power. Diffractive networks were demonstrated to achieve all‐optical object classification and perform universal linear transformations. Herein, a “time‐lapse” image classification scheme using a diffractive network is demonstrated for the first time, significantly advancing its classification accuracy and generalization performance on complex input objects by using the lateral movements of the input objects and/or the diffractive network, relative to each other. In a different context, such relative movements of the objects and/or the camera are routinely being used for image super‐resolution applications; inspired by their success, a time‐lapse diffractive network is designed to benefit from the complementary information content created by controlled or random lateral shifts. The design space and performance limits of time‐lapse diffractive networks are numerically explored, revealing a blind testing accuracy of 62.03% on the optical classification of objects from the CIFAR‐10 dataset. This constitutes the highest inference accuracy achieved so far using a single diffractive network on the CIFAR‐10 dataset. Time‐lapse diffractive networks will be broadly useful for the spatiotemporal analysis of input signals using all‐optical processors.

36 MATERIALS SCIENCE↗