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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Roadmap for Quantum Interconnects

Created by Q-NEXT, a U.S. Department of Energy (DOE) National Quantum Information Science Research Center, this document is a roadmap for quantum interconnects research and its impact for quantum information science and technology. It is the outcome of the collective work of a large team of Q-NEXT members and participants from academia, industry and DOE national laboratories. The roadmap addresses the role of quantum interconnects in three emerging areas of quantum information: computing, communication and sensing. It reviews the materials, components and systems used for these purposes; summarizes relevant scientific questions and issues; and addresses the most pressing research needs. The document then distills these considerations into recommendations for strategic science and technology research imperatives for the next decade. In addition to informing Q-NEXT’s internal activities, the roadmap has also been created with a broader objective of developing a guide for key issues and research needed over the next decade for the worldwide scientific and engineering community interested in quantum information.

42 ENGINEERING↗
DOE OSTI2017

Self-consistent core-pedestal transport simulations with neural network accelerated models

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflow that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. Finally, the NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Optimal design of sustainable cellulosic biofuel supply chains: Multiobjective optimization coupled with life cycle assessment and input-output analysis

This article addresses the optimal design and planning of cellulosic ethanol supply chains under economic, environmental, and social objectives. The economic objective is measured by the total annualized cost, the environmental objective is measured by the life cycle greenhouse gas emissions, and the social objective is measured by the number of accrued local jobs. A multiobjective mixed-integer linear programming (mo-MILP) model is developed that accounts for major characteristics of cellulosic ethanol supply chains, including supply seasonality and geographical diversity, biomass degradation, feedstock density, diverse conversion pathways and byproducts, infrastructure compatibility, demand distribution, regional economy, and government incentives. Aspen Plus models for biorefineries with different feedstocks and conversion pathways are built to provide detailed techno-economic and emission analysis results for the mo-MILP model, which simultaneously predicts the optimal network design, facility location, technology selection, capital investment, production planning, inventory control, and logistics management decisions. The mo-MILP problem is solved with an e-constraint method; and the resulting Pareto-optimal curves reveal the tradeoff between the economic, environmental, and social dimensions of the sustainable biofuel supply chains. The proposed approach is illustrated through two case studies for the state of Illinois.

09 BIOMASS FUELS↗
DOE OSTI2020

Structural and Optical Response of Polymer-Stabilized Blue Phase Liquid Crystal Films to Volatile Organic Compounds

Engineering useful mechanical properties into stimuli-responsive soft materials without compromising their responsiveness is, in many cases, an unresolved challenge. For example, polymer networks formed within blue-phase liquid crystals (BPs) have been shown to form mechanically robust films, but the impact of polymer networks on the response of these soft materials to chemical stimuli has not been explored. In this work, we report on the response of polymer-stabilized BPs (PSBPs) to volatile organic compounds (VOCs, using toluene as a model compound) and compare the response to BPs without polymer stabilization and to polymerized nematic and cholesteric phases. We find that PSBPs generate an optical response to toluene vapor (change in reflection intensity under crossed polars) that is sixfold greater in sensitivity than the polymerized nematic or cholesteric phases and with a limit of detection (140 ± 10 ppm at 25 °C) that is relevant to the measurement of permissible exposure limits for humans. Additionally, when compared to BPs that have not been polymerized, PSBPs respond to a broader range of toluene vapor concentrations (5000 vs <1000 ppm) over a wider temperature interval (25–45 vs 45–53 °C). We place these experimental observations into the context of a simple thermodynamic model to explore how the PSBP response reflects the effect of toluene on competing contributions of double-twisted LC cylinders, disclinations, and polymer network to the free energy that controls the PSBP lattice spacing. Overall, we conclude that the mechanical and thermal stability of PSBPs, when combined with their optical responsiveness to toluene, make this class of self-supporting LCs a promising one as the basis of passive and compact (e.g., wearable) sensors for VOCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Simple spatial scaling rules behind complex cities

Although most of wealth and innovation have been the result of human interaction and cooperation, we are not yet able to quantitatively predict the spatial distributions of three main elements of cities: population, roads, and socioeconomic interactions. By a simple model mainly based on spatial attraction and matching growth mechanisms, we reveal that the spatial scaling rules of these three elements are in a consistent framework, which allows us to use any single observation to infer the others. All numerical and theoretical results are consistent with empirical data from ten representative cities. In addition, our model can also provide a general explanation of the origins of the universal super- and sub-linear aggregate scaling laws and accurately predict kilometre-level socioeconomic activity. Our work opens a new avenue for uncovering the evolution of cities in terms of the interplay among urban elements, and it has a broad range of applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Deep mutational scanning reveals the molecular determinants of RNA polymerase-mediated adaptation and tradeoffs

RNA polymerase (RNAP) is emblematic of complex biological systems that control multiple traits involving trade-offs such as growth versus maintenance. Laboratory evolution has revealed that mutations in RNAP subunits, including RpoB, are frequently selected. However, we lack a systems view of how mutations alter the RNAP molecular functions to promote adaptation. We, therefore, measured the fitness of thousands of mutations within a region of rpoB under multiple conditions and genetic backgrounds, to find that adaptive mutations cluster in two modules. Mutations in one module favor growth over maintenance through a partial loss of an interaction associated with faster elongation. Mutations in the other favor maintenance over growth through a destabilized RNAP-DNA complex. The two molecular handles capture the versatile RNAP-mediated adaptations. Combining both interaction losses simultaneously improved maintenance and growth, challenging the idea that growth-maintenance tradeoff resorts only from limited resources, and revealing how compensatory evolution operates within RNAP.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Machine-learning approach to the design of OSDAs for zeolite beta

We report a machine-learning strategy for design of organic structure directing agents (OSDAs) for zeolite beta. We use machine learning to replace a computationally expensive molecular dynamics evaluation of the stabilization energy of the OSDA inside zeolite beta with a neural network prediction. We train the neural network on 4,781 candidate OSDAs, spanning a range of stabilization energies. We find that the stabilization energies predicted by the neural network are highly correlated with the molecular dynamics computations. We further find that the evolutionary design algorithm samples the space of chemically feasible OSDAs thoroughly. In total, we find 469 OSDAs with verified stabilization energies below -17 kJ/(mol Si), comparable to or better than known OSDAs for zeolite beta, and greatly expanding our previous list of 152 such predicted OSDAs. We expect that these OSDAs will lead to syntheses of zeolite beta.

42 ENGINEERING↗
DOE OSTI2023

Machine-learning Kohn–Sham potential from dynamics in time-dependent Kohn–Sham systems

Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calculations and provide more accurate predictions of the properties of many-electron systems. Here, we propose a machine learning method to develop the energy functional and the Kohn–Sham potential of a time-dependent Kohn–Sham (TDKS) system is proposed. The method is based on the dynamics of the Kohn–Sham system and does not require any data on the exact Kohn–Sham potential for training the model. We demonstrate the results of our method with a 1D harmonic oscillator example and a 1D two-electron example. We show that the machine-learned Kohn–Sham potential matches the exact Kohn–Sham potential in the absence of memory effect. Our method can still capture the dynamics of the Kohn–Sham system in the presence of memory effects. The machine learning method developed in this article provides insight into making better approximations of the energy functional and the Kohn–Sham potential in the TDKS system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Envisioning the Future Renewable and Resilient Energy Grids—A Power Grid Revolution Enabled by Renewables, Energy Storage, and Energy Electronics

Today’s power grids are facing tremendous challenges because of the ever-increasing power demand, system complexity, infrastructure cost, knowledge base, and policy and regulatory issues to achieve supply–demand power balance and resiliency with respect to more frequent extreme weather events and cyberattacks. It is particularly challenging when the transition toward 100% intermittent renewable energy sources is considered. Many countries are calling for building up more transmission and distribution lines to increase power delivery capacities. This article is an attempt to answer two urgent questions: Is more transmission and distribution infrastructure really needed to meet the increasing power demand? What kind of future grid infrastructure should we envision and build? This article attempts to answer these questions and proposes the concept of community-centric asynchronous renewable and resilient energy grids. By clearly differentiating the concepts of grid resilience and reliability, the importance of building resilient power electronics’ devices and robust system-level control algorithms to achieve 100% renewable energy integrated resilient grids is presented. To identify the shortcomings and propose advancements, power electronics’ technologies are categorized using the proposed concepts of natural source frequencies (NSf), energy storage, direct energy conversion/control and fault protection (DeCaFp), and high-efficiency energy consumption and buffering (heECaB) technology. The ability of networked microgrids to greatly reduce power outages and power system restoration time is demonstrated by leveraging robust decentralized and centralized control algorithms, identified through a comprehensive literature review. Future research areas are proposed to further enhance grid stability, controllability, cybersecurity, and protection against faults in the presence of 100% renewable sources by leveraging the advanced capabilities of NSf, DeCaFp, and heECaB devices and system-level control algorithms.

14 SOLAR ENERGY↗
DOE OSTI2016

Rebooting Computers as Learning Machines

Artificial neural networks could become the technological driver that replaces Moore's law, boosting computers' utlity through a process akin to automatic programming--although physics and computer architecture would are also a factor.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Metrics required for Power System Resilient Operations and Protection

Today’s complex grid involves many interdependent systems. Various layers of hierarchical control and communication systems are coordinated, both spatially and temporally to achieve gird reliability. As new communication network based control system technologies are being deployed, the interconnected nature of these systems is becoming more complex. Deployment of smart grid concepts promises effective integration of renewable resources, especially if combined with energy storage. However, without a philosophical focus on resilience, a smart grid will potentially lead to higher magnitude and/or duration of disruptive events. The effectiveness of a resilient infrastructure depends upon its ability to anticipate, absorb, adapt to, and/or rapidly recover from a potentially catastrophic event. Future system operations can be enhanced with a resilient philosophy through architecting the complexity with state awareness metrics that recognize changing system conditions and provide for an agile and adaptive response. The starting point for metrics lies in first understanding the attributes of performance that will be qualified. In this paper, we will overview those attributes and describe how they will be characterized by designing a distributed agent that can be applied to the power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2014

Applications of fractured continuum model to enhanced geothermal system heat extraction problems

This paper describes the applications of the fractured continuum model to the different enhanced geothermal systems reservoir conditions. The capability of the fractured continuum model to generate fracture characteristics expected in enhanced geothermal systems reservoir environments are demonstrated for single and multiple sets of fractures. Fracture characteristics are defined by fracture strike, dip, spacing, and aperture. The paper demonstrates how the fractured continuum model can be extended to represent continuous fractured features, such as long fractures, and the conditions in which the fracture density varies within the different depth intervals. Simulations of heat transport using different fracture settings were compared with regard to their heat extraction effectiveness. The best heat extraction was obtained in the case when fractures were horizontal. A conventional heat extraction scheme with vertical wells was compared to an alternative scheme with horizontal wells. The heat extraction with the horizontal wells was significantly better than with the vertical

Anisotropic permeability↗
DOE OSTI2017

Economic and Physical Linkages of the Information and Communication Technology (ICT) Service Industry to Key Industries of the Economy: An Ad Hoc Report

This report examines the information and communications technology (ICT) services industry in response to an inquiry by the Department of Energy’s (DOE’s) Office of Energy Policy and Systems Analysis. The report answers several key questions: •How has the reliance on ICT services evolved in recent years for key infrastructure services such as air travel, freight transport, electricity and natural gas distribution, financial services, and critical health care, and for the household sector? •What ICT industry trends explain continued strong linkage to and reliance upon ICT? •What is the ICT industry’s reliance on grid-supplied power, uninterruptible power supplies, emergency generators and back-up energy storage technologies? •What are the observed direct effects of ICT disruptions induced by electrical system failures in recent history and how resilient are the components of the ICT industry?

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

Next-Generation Sequencing for Binary Protein–Protein Interactions

The yeast two-hybrid (Y2H) system exploits host cell genetics in order to display binary protein–protein interactions (PPIs) via defined and selectable phenotypes. Numerous improvements have been made to this method, adapting the screening principle for diverse applications, including drug discovery and the scale-up for proteome wide interaction screens in human and other organisms. Here we discuss a systematic workflow and analysis scheme for screening data generated by Y2H and related assays that includes high-throughput selection procedures, readout of comprehensive results via next-generation sequencing (NGS), and the interpretation of interaction data via quantitative statistics. The novel assays and tools will serve the broader scientific community to harness the power of NGS technology to address PPI networks in health and disease. We discuss examples of how this next-generation platform can be applied to address specific questions in diverse fields of biology and medicine.

quantitative interaction profiles↗
DOE OSTI2023

Less Is More: Oligomer Extraction and Hydrothermal Annealing Increase PDMS Adhesion Forces for Materials Studies and for Biology-Focused Microfluidic Applications

Cues in the micro-environment are key determinants in the emergence of complex cellular morphologies and functions. Primary among these is the presence of neighboring cells that form networks. For high-resolution analysis, it is crucial to develop micro-environments that permit exquisite control of network formation. This is especially true in cell science, tissue engineering, and clinical biology. We introduce a new approach for assembling polydimethylsiloxane (PDMS)-based microfluidic environments that enhances cell network formation and analyses. We report that the combined processes of PDMS solvent-extraction and hydrothermal annealing create unique conditions that produce high-strength bonds between solvent-extracted PDMS (E-PDMS) and glass—properties not associated with conventional PDMS. Extraction followed by hydrothermal annealing removes unbound oligomers, promotes polymer cross-linking, facilitates covalent bond formation with glass, and retains the highest biocompatibility. Herein, our extraction protocol accelerates oligomer removal from 5 to 2 days. Resulting microfluidic platforms are uniquely suited for cell-network studies owing to high adhesion forces, effectively corralling cellular extensions and eliminating harmful oligomers. We demonstrate the simple, simultaneous actuation of multiple microfluidic domains for invoking ATP- and glutamate-induced Ca 2+ signaling in glial-cell networks. These E-PDMS modifications and flow manipulations further enable microfluidic technologies for cell-signaling and network studies as well as novel applications.

36 MATERIALS SCIENCE↗
DOE OSTI2012

iSTEM 2011

Idaho National Laboratory leads the Idaho Science, Technology, Engineering and Math network. This video is an overview of the iSTEM program

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2016

Cybersecurity Intrusion Detection and Monitoring for Field Area Network: Final Report

This report summarizes the key technical accomplishments, industry impact and performance of the I2-CEDS grant entitled “Cybersecurity Intrusion Detection and Monitoring for Field Area Network”. Led by Applied Communication Sciences (ACS/Vencore Labs) in conjunction with its utility partner Sacramento Municipal Utility District (SMUD), the project accelerated research on a first-of-its-kind cybersecurity monitoring solution for Advanced Meter Infrastructure and Distribution Automation field networks. It advanced the technology to a validated, full-scale solution that detects anomalies, intrusion events and improves utility situational awareness and visibility. The solution was successfully transitioned and commercialized for production use as SecureSmart™ Continuous Monitoring. Discoveries made with SecureSmart™ Continuous Monitoring led to tangible and demonstrable improvements in the security posture of the US national electric infrastructure.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Virtual Framework for Science Federations with Instruments Access and Control

Experimental science workflows require federations of geographically dispersed science instruments and computing systems connected over a wide-area network. We develop a Virtual Infrastructure Twin (VIT) framework, which is a digital twin of the physical infrastructure that utilizes network virtualization and containerization technologies to support the development and testing of science workflow codes. Using VIT, we illustrate the access to instruments via EPICS system and the orchestration of containerized computations across federation computing systems. We also present a machine learning method to convert VIT throughput measurements to closely match the corresponding physical testbed measurements.

Rao, Nageswara↗