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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 1,405 records · Page 78

Mediated electrochemistry for redox-based biological targeting: entangling sensing and actuation for maximizing information transfer

Biology and electronics are both expert at receiving, analyzing, and responding to information, yet they use entirely different information processing paradigms. Biology processes information using networks that are intrinsically molecular while electronics process information through circuits that control the flow of electrons. There is great interest in coupling the molecular logic of biology with the electronic logic of technology, and we suggest that redox (reduction-oxidation) is a uniquely-suited modality for interfacing biology with electronics. Specifically, redox is a native biological modality and is accessible to electronics through electrodes. Here, we summarize recent advances in mediated electrochemistry to direct information transfer into biological systems intentionally altering function, exposing it for more advanced interpretation, which can dramatically expand the biotechnological toolbox.

59 BASIC BIOLOGICAL SCIENCES↗

phenix v. 7.0

SAND2021-6741 O phenix is Sandia's orchestration tool that allows users to quickly deploy, un-deploy, and interact with SCEPTRE ICS environments. phenix is an orchestration tool used for managing the creation, configuration, and deployment of modeling and simulation environments. As an abstraction layer on top of an underlying virtual machine manager called minimega, phenix organizes the network, application, and scenario information for a given deployment. It allows users to create, configure, and deploy experiments in a repeatable and rapid fashion. An application framework provides the flexibility to manipulate an experiment to suit various needs and requirements. phenix also includes a web-based graphical user interface (GUI) where experiments can be created, configured, and interacted with.

Sahakian, Meghan↗

Conformational coupling by trans-phosphorylation in calcium calmodulin dependent kinase II

The calcium calmodulin-dependent protein kinase II (CaMKII) is a dodecameric holoenzyme important for encoding memory. Its activation, triggered by binding of calcium-calmodulin, persists autonomously after calmodulin dissociation. One (receiver) kinase captures and subsequently phosphorylates the regulatory domain peptide of a donor kinase forming a chained dimer as the first stage of autonomous activation. Protein dynamics simulations examined the conformational changes triggered by dimer formation and phosphorylation, aimed to provide a molecular rationale for human mutations that result in learning disabilities. Ensembles generated from X-ray crystal structures were characterized by network centrality and community analysis. Mutual information related collective motions to local fragment dynamics encoded with a structural alphabet. Implicit solvent tCONCOORD conformational ensembles revealed the dynamic architecture of inactive kinase domains was co-opted in the activated dimer but the network hub shifted from the nucleotide binding cleft to the captured peptide. Explicit solvent molecular dynamics (MD) showed nucleotide and substrate binding determinants formed coupled nodes in long-range signal relays between regulatory peptides in the dimer. Strain in the extended captured peptide was balanced by reduced flexibility of the receiver kinase C-lobe core. The relays were organized around a hydrophobic patch between the captured peptide and a key binding helix. The human mutations aligned along the relays. Thus, these mutations could disrupt the allosteric network alternatively, or in addition, to altered binding affinities. Non-binding protein sectors distant from the binding sites mediated the allosteric signalling; providing possible targets for inhibitor design. Phosphorylation of the peptide modulated the dielectric of its binding pocket to strengthen the patch, non-binding sectors, domain interface and temporal correlations between parallel relays. These results provide the molecular details underlying the reported positive kinase cooperativity to enrich the discussion on how autonomous activation by phosphorylation leads to long-term behavioural effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mapping of Benthic Habitats at Marine Renewable Energy Sites Using Multibeam Echosounder and Sediment Profile Imaging Technologies

Objectives/Scope: The goal of this work was to develop a consistent and semi-automated seafloor survey method for generating high-resolution, benthic habitat maps for environmental assessments and monitoring of marine renewable energy sites. Sediment profile and plan view imaging (SPI/PV) technology was combined with multibeam bathymetry and acoustic backscatter methods to demonstrate a rapid, cost-effective benthic mapping protocol. A key technical innovation of this project was the development of an image processing platform that automatically measures key features from the images. Methods: Multibeam echosounder (MBES) acoustic and SPI/PV surveys were conducted at three coastal areas off the U.S. west coast, including the PacWave South energy test site off of Newport, Oregon. Point data on physical and biological sediment conditions obtained from the SPI/PV imagery were used to efficiently ground-truth the high-resolution MBES bathymetry and backscatter mosaics. The SPI camera is an optical corer that obtains an undisturbed 21 by 15 cm, high-resolution, cross-sectional image of the sediment–water interface and upper sediment column. The plan view camera attached to the SPI camera frame captures a downward looking view of the seabed immediately before the SPI image is obtained. As part of this project, we developed a computer vision image processing platform (iSPI) that uses deep convolutional neural networks and other approaches to automatically identify and measure key features in the images, such as grain size and surface relief. Results: Detailed benthic habitat maps were generated using this mapping approach for three different marine settings. The sites mapped included a silt-dominated embayment; a sloping, nearshore, transitional very fine to coarse sand bottom; and a medium, sand-dominated continental shelf marine energy test site. In each case, acoustic and imaging surveys were completed in less than week, and detailed benthic habitat maps were generated within 60 days. The results were placed within the Coastal and Marine Ecological Classification Standard (CMECS) habitat mapping framework, and various combinations of the bathymetry, backscatter, and SPI and PV data were used to generate CMECS component maps. Novel Information: This project developed and demonstrated a repeatable and cost-effective approach for efficiently mapping benthic habitat conditions over broad areas of the seafloor by combining state-of-the-art acoustic and imaging techniques. The primary survey tools used in this project have been used previously in both the offshore renewable (wind) and oil and gas sectors to map and monitor benthic environments. This project’s innovations include 1) the focused use of high-resolution SPI/PV imagery to ground-truth acoustic mosaics, and 2) the development of a computer automated image analysis processing tool that both streamlines and standardizes the generation of data from the imagery and makes the data extraction process more cost-effective and repeatable.

13 HYDRO ENERGY↗

Simulation test beds for the space station electrical power system

NASA Lewis Research Center and its prime contractor are responsible for developing the electrical power system on the space station. The power system will be controlled by a network of distributed processors. Control software will be verified, validated, and tested in hardware and software test beds. Current plans for the software test bed involve using real time and nonreal time simulations of the power system. This paper will discuss the general simulation objectives and configurations, control architecture, interfaces between simulator and controls, types of tests, and facility configurations.

Sadler, Gerald G.↗

Simulation test beds for the Space Station electrical power system

NASA Lewis Research Center and its prime contractor are respnsible for developing the electrical power system on the Space Station. The power system will be controlled by a network of distributed processors. Control software will be verified, validated, and tested in hardware and software test beds. Current plans for the software test bed involve using real time and nonreal time simulations of the power system. This paper will discuss the general simulation objectives and configurations, control architecture, interfaces between simulator and controls, types of tests, and facility configurations.

Sadler, Gerald G.↗

An optically controlled Ka-band phased array antenna

The design and development of a small, optically controlled phased array antenna suitable for communication satellite applications are discussed. A vertical integration architecture is used which minimizes the size of the array with its associated beamforming network (BFN). The antenna features a four-element linear microstrip array that uses aperture coupling of the antenna elements to the BFN; a modified Wilkinson power divider BFN; and 32 GHz, four-bit monolithic microwave integrated circuit (MMIC) phase shifters in customized quartz packages with corresponding optoelectronic interface circuits (OEIC's) for control signal reception.

Kunath, R. R.↗

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 23: Information technology and aerospace knowledge diffusion: Exploring the intermediary-end user interface in a policy framework

Federal attempts to stimulate technological innovation have been unsuccessful because of the application of an inappropriate policy framework that lacks conceptual and empirical knowledge of the process of technological innovation and fails to acknowledge the relationship between knowled reproduction, transfer, and use as equally important components of the process of knowledge diffusion. It is argued that the potential contributions of high-speed computing and networking systems will be diminished unless empirically derived knowledge about the information-seeking behavior of the members of the social system is incorporated into a new policy framework. Findings from the NASA/DoD Aerospace Knowledge Diffusion Research Project are presented in support of this assertion.

Pinelli, Thomas E.↗

NASA/DoD Aerospace Knowledge Diffusion Research Project. XXIII - Information technology and aerospace knowledge diffusion: Exploring the intermediary-end user interface in a policy framework

Federal attempts to stimulate technological innovation have been unsuccessful because of the application of an inappropriate policy framework that lacks conceptual and empirical knowledge of the process of technological innovation and fails to acknowledge the relationship between knowledge production, transfer, and use as equally important components of the process of knowledge diffusion. This article argues that the potential contributions of high-speed computing and networking systems will be diminished unless empirically derived knowledge about the information-seeking behavior of members of the social system is incorporated into a new policy framework. Findings from the NASA/DoD Aerospace Knowledge Diffusion Research Project are presented in support of this assertion.

Pinelli, Thomas E.↗

Application Portable Parallel Library

Application Portable Parallel Library (APPL) computer program is subroutine-based message-passing software library intended to provide consistent interface to variety of multiprocessor computers on market today. Minimizes effort needed to move application program from one computer to another. User develops application program once and then easily moves application program from parallel computer on which created to another parallel computer. ("Parallel computer" also include heterogeneous collection of networked computers). Written in C language with one FORTRAN 77 subroutine for UNIX-based computers and callable from application programs written in C language or FORTRAN 77.

Cole, Gary L.↗

Internet Business Solutions

Cogent Software, Inc. was formed in January 1995 by David Atkinson and Irene Woerner, both former employees of the Jet Propulsion Laboratory (JPL). Several other Cogent employees also worked at JPL. Atkinson headed JPL's Information Systems Technology section and Woerner lead the Advanced User Interfaces Group. Cogent's mission is to help companies organize and manage their online content by developing advanced software for the next generation of online directories and information catalogs. The company offers a complete range of Internet solutions, including Internet access, Web site design, local and wide-area networks, and custom software for online commerce applications. Cogent also offers DesignSphere Online, an electronic community for the communications arts industry. Customers range from small offices to manufacturers with thousands of employees, including Chemi-Con, one of the largest manufacturers of capacitors in the world.

Source record↗

Microstructure and Oxidation of a MAX Phase/Superalloy Hybrid Interface

Corrosion resistant, strain tolerant MAX phase coatings are of interest for turbine applications. Thin Cr2AlC MAX phase wafers were vacuum diffusion bonded to an advanced turbine disk alloy, LSHR, at 1100 C. The interface, examined by optical and scanning electron microscopy, revealed a primary diffusion zone consisting of ~ 10 micrometers of beta-Ni(Co)Al, decorated with various NiCoCrAl, MC and M3B2 precipitates. On the Cr2AlC side, an additional ~40 micrometers Al-depletion zone of Cr7C3 formed in an interconnected network with the beta-Ni(Co)Al. Oxidation of an exposed edge at 800 C for 100 h produced a fine-grained lenticular alumina scale over Cr2AlC and beta-Ni(Co)Al, with coarser chromia granules over the Cr7C3 regions. Subsequent growth of the diffusion layers was only ~ 5 micrometers in total. A residual stress of ~ 500 MPa was estimated for the MAX phase layer, but no interfacial damage was observed. Subsequent tests for 1000 h reveal similar results.

heat resistant alloys↗

A Service Portal for the Integrated SCaN Network

The Space Communication and Navigation (SCaN) program office owns the assets and services provided by the Deep Space Network (DSN), Near Earth Network (NEN), and Space Network (SN). At present, these individual networks are operated by different NASA centers--JPL for DSN--and Goddard Space Flight Center (GSFC) for NEN and SN--with separate commitments offices for each center. In the near future, SCaN's program office would like to deploy an integrated service portal which would merge the two commitments offices with the goal of easing the task of user planning for space missions requiring services of two or more of these networks. Following interviews with subject matter experts in this field, use cases were created to include the services and functionality mission users would like to see in this new integrated service portal. These use cases provide a guideline for a mock-up of the design of the user interface for the portal. The benefit of this work will ease the time required and streamline/standardize the process for planning and scheduling SCAN's services for future space missions.

space communications and navigation (SCaN)↗

The NPOESS Preparatory Project (NPP) Science Data Segment (SDS) Data Depository and Distribution Element (SD3E) System Architecture

The National Polar-orbiting Operational Environmental Satellite System (NPOESS), the U.S. Government's future low-Earth orbiting satellite system, will monitor global weather and environmental conditions. Serving as a risk reduction for NPOESS, the NPOESS Preparatory Project (NPP) will provide remotely sensed atmospheric, land, ocean, ozone, and sounder data that will serve the meteorological and global climate change scientific communities. The National Aeronautics and Space Administration (NASA) NPP Science Data Segment's (SDS) primary role is to independently assess the quality of the NPP science and environmental data records for their ability to support climate research. The SDS is composed of nine elements; an input element that receives data from the operational agencies and acts as a buffer, a calibration analysis element, five elements devoted to measurement based quality assessment, an element used to test algorithmic improvements, and an element that provides overall science direction. Each element requires a set of sensor specific science data products for their evaluation. There are four NPP sensors that will be flown on the NPP observatory. They are the Visible Infrared Imagining Radiometer Suite (VIIRS), the Advanced Technology Microwave Sounder (ATMS), the Cross-Track Infrared Sounder (CrIS), and the Ozone Mapper/Profiler Suite (OMPS). It is estimated that these four sensors combined will make daily data requests for approximately six terabytes of NPP science products from the operational data providers. As a result, issues associated with duplicate data requests, data transfers of large volumes of diverse products, and data transfer failures raised concerns with respect to the network traffic and bandwidth consumption. Therefore, a central data broker system for receiving and buffering data requests and data products for the SDS was developed. The data element for this system is called the SDS Data Depository and Distribution Element (SD3E). It supports science mission data assessment by assuring the timely and validated acquisition and subsequent transfer of the NPP Science Mission data to the SDS Elements and NPP Science Team. The six science elements that interface with the SD3E span across the NASA Goddard Space Flight Center (GSFC), the NASA Jet Propulsion Laboratory (JPL), and the University of Wisconsin. As the primary communication vehicle for the science elements and science team, the SD3E has an interface to the operational data providers: National Environment Satellite, Data, and Information Service (NESDIS) Interface Data Processing System (IDPS) and the National Oceanic Atmospheric Administration's (NOAA) Comprehensive Large Array-data Stewardship system (CLASS) Archive Data System (ADS), that are responsible for product generation and archive and distribution respectively. The SD3E is designed to be a semi-customizable and semi-automated system. This system is designed to provide flexibility and ease of use for the science users in accessing the latest data products by creating a rolling data cache that temporarily stores the products locally before transferring the data to the SDS Measurement based elements for the land, ocean, atmosphere, sounder, and ozone. This paper describes the design and architecture of one of the nine SDS elements, the SD3E, and how this system has provided a mechanism for efficient data exchange, how it has helped in alleviating some of the network traffic and usage, and how it has contributed to reducing operational costs.

Ho, Evelyn L.↗

pH-dependent reactivity of water at MgO(100) and MgO(111) surfaces

Facet-dependent surface charging of metal oxides in water dominates the ion transport behavior across the interface, in turn impacting many natural and industrial processes such as adsorption, the formation and stabilization of nanoparticle suspensions, corrosion, and heterogeneous catalysis. Here we investigated the pH-dependent surface chemistry of two low-index MgO single crystal surfaces, namely MgO(100) and MgO(111), using vibrational sum frequency generation (vSFG) spectroscopy. This allowed us to evaluate facet-dependent pH effects on the hydration and hydroxylation at the solid/aqueous interface and point-of-zero charge (PZC) values. The MgO system is complicated by its thermodynamic instability with respect to Mg(OH) 2 in water at ambient conditions. Here, for both hydroxylated MgO(100) and MgO(111) surfaces, the PZC is found to be around pH ∼ 12, which compares well with reported values for MgO single crystal and nanoparticle surfaces. However, structure specific differences in the molecular water hydrogen bonding network near the surface are evident at mildly acidic pH. To our knowledge, this is the first account of the PZC values for the MgO(111) single-crystal surface, an electrostatically unstable MgO termination that is prone to reconstruction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Applications of Nickelate perovskites for neuromorphic computing from electronic structure and Machine Learning

While the limit of Moore's law is presently being reached with current microelectronic technologies, we need to develop new paradigms that overcome this limitation. In that respect, neuromorphic computing is a concept that emulates the neural behavior and response of the human brain, and it has been recognized as a promising alternative approach. In this research project, we will perform multi-fidelity scale bridging to explore the potential use of materials with metal to insulator transition for neuromorphic applications. In particular, rare earth nickelates are promising for such purposes, as the transition in these materials is quite sensitive to a broad set of different external stimuli. Our multi-fidelity approach will bridge the high-fidelity electronic structure calculations with classical potentials. We will bridge dynamical mean field theory with a classical atomistic representation via a deep learning force field. The neural network is trained with energies, charges, and forces obtained by accurate electronic structure theories based on Dynamical Mean Field Theory. The configurational space is generated from known crystal phases, ab initio molecular dynamics with exchange-correlation functionals corrected with the Hubbard model, disordered phases with different concentrations of oxygen vacancies, and nonsymmetrical positions and induced strain by grain interfaces or contact with a substrate. Strategies to train the model with a reduced number of training examples are obtained from active learning methods, and new structures for improving the learning process are generated by using machine learning autoencoders. This classical potential will be validated through a diversity of electronic structure methods and represents an important step to combine the flexibility and accuracy of first-principles with the speed of classical potentials. The generated multi-fidelity surrogate model will be used to understand the role of strain, oxygen vacancies, proton doping, the variation of the crystal phase, substrate effects, vibrational effects as the octahedral rotation, grain boundaries and defect effects on the response of a Metal to Insulator Transition (MIT) in correlated materials. Long time and large-scale simulations will help understand the role of different stimuli to control the hysteresis of the MIT, as it has been experimentally suggested. Selected configurations will be analyzed with higher-level theories to provide an accurate electronic description and to study how the orbitals and charges are rearranged under different conditions.

36 MATERIALS SCIENCE↗

Synergistic Effects of the Electric Field Induced by Imidazolium Rotation and Hydrogen Bonding in Electrocatalysis of CO 2

The roles of the ionic liquid, 1-ethyl-3-methylimidazolium tetrafluoroborate ([EMIM][BF₄]), and water in controlling the mechanism, energetics, and electrocatalytic activity of CO₂ reduction to CO on silver in non-aqueous electrolytes were investigated. The first electron transfer occurs to CO₂ at reduced overpotentials when it is trapped between the planes of [EMIM]⁺ ring and electrode surface due to cation re-orientation as determined from voltammetry, in-situ surface-enhanced Raman spectroscopy, and density functional theory calculations. Within this interface, water up to 0.5 M does not induce significant faradaic activity, opposing the notion of it as a free proton source. Instead, water acts as a hydrogen bond donor and the proton is sourced from [EMIM]⁺. Furthermore, this study demonstrates that alcohols with varying acidity tune the hydrogen bonding network in the interfacial microenvironment to lower the energetics required for CO₂ reduction. Here, the hydrogen bonding suppresses the formation of inactive carboxylate species, thus preserving the catalytic activity of [EMIM]⁺. The ability to tune the hydrogen bonding network opens new avenues for advancing IL-mediated electrocatalytic reactions in non-aqueous electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗