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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

La 3+ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity

We recently introduced the concept of a “spacer salt” that creates structural heterogeneity and intermediate range order. Put simply, a fully networked salt melt, such as LaCl 3 or UCl 3 , becomes disrupted by the introduction of ions that do not participate in the network. One of the results of this disruption is the experimental observation of two characteristic distances between the multivalent cations: the shorter “in-network” distance and the longer “across-network” distance spaced by the lowvalency salt. The longer characteristic distance, absent if there is no spacer salt, is the culprit for a new first sharp diffraction peak in scattering experiments. Intuitively, it would appear to follow from this analysis that higher concentrations of the lower-valency salt would further separate multivalent cations, resulting in a shift to lower q values of this first sharp diffraction peak. We will show experimentally and computationally that this is not always the case because multiple other factors enter into play.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Emerging Needs for Pervasive Passive Wireless Sensor Networks on Aerospace Vehicles

NASA is investigating passive wireless sensor technology to reduce instrumentation mass and volume in ground testing, air flight, and space exploration applications. Vehicle health monitoring systems (VHMS) are desired on all aerospace programs to ensure the safety of the crew and the vehicles. Pervasive passive wireless sensor networks facilitate VHMS on aerospace vehicles. Future wireless sensor networks on board aerospace vehicles will be heterogeneous and will require active and passive network systems. Since much has been published on active wireless sensor networks, this work will focus on the need for passive wireless sensor networks on aerospace vehicles. Several passive wireless technologies such as microelectromechanical systems MEMS, SAW, backscatter, and chipless RFID techniques, have all shown potential to meet the pervasive sensing needs for aerospace VHMS applications. A SAW VHMS application will be presented. In addition, application areas including ground testing, hypersonic aircraft and spacecraft will be explored along with some of the harsh environments found in aerospace applications.

Wilson, William C.↗
DOE OSTI2025

Building molecular model series from heterogeneous CryoEM structures using Gaussian mixture models and deep neural networks

Cryogenic electron microscopy (CryoEM) produces structures of macromolecules at near-atomic resolution. However, building molecular models with good stereochemical geometry from those structures can be challenging and time-consuming, especially when many structures are obtained from datasets with conformational heterogeneity. Here we present a model refinement protocol that automatically generates series of molecular models from CryoEM datasets, which describe the dynamics of the macromolecular system and have near-perfect geometry scores. This method makes it easier to interpret the movement of the protein complex from heterogeneity analysis and to compare the structural dynamics observed from CryoEM data with results from other experimental and simulation techniques.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Global droughts connected by linkages between drought hubs

Abstract Quantifying the spatial and interconnected structure of regional to continental scale droughts is one of the unsolved global hydrology problems, which is important for understanding the looming risk of mega-scale droughts and the resulting water and food scarcity and their cascading impact on the worldwide economy. Using a Complex Network analysis, this study explores the topological characteristics of global drought events based on the self-calibrated Palmer Drought Severity Index. Event Synchronization is used to measure the strength of association between the onset of droughts at different spatial locations within the time lag of 1-3 months. The network coefficients derived from the synchronization network indicate a highly heterogeneous connectivity structure underlying global drought events. Drought hotspot regions such as Southern Europe, Northeast Brazil, Australia, and Northwest USA behave as drought hubs that synchronize regionally and with other hubs at inter-continental or even inter-hemispheric scale. This observed affinity among drought hubs is equivalent to the ‘rich-club phenomenon’ in Network Theory, where ‘rich’ nodes (here, drought hubs) are tightly interconnected to form a club, implicating the possibility of simultaneous large-scale droughts over multiple continents.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2023

Global Droughts Connected By Linkages Between Drought Hubs

Quantifying the spatial and interconnected structure of regional to continental scale droughts is one of the unsolved global hydrology problems, which is important for understanding the looming risk of mega-scale droughts and the resulting water and food scarcity and their cascading impact on the worldwide economy. Using a Complex Network analysis, this study explores the topological characteristics of global drought events based on the self-calibrated Palmer Drought Severity Index. Event Synchronization is used to measure the strength of association between the onset of droughts at different spatial locations within the time lag of 1-3 months. The network coefficients derived from the synchronization network indicate a highly heterogeneous connectivity structure underlying global drought events. Drought hotspot regions such as Southern Europe, Northeast Brazil, Australia, and Northwest USA behave as drought hubs that synchronize regionally and with other hubs at inter-continental or even inter-hemispheric scale. This observed affinity among drought hubs is equivalent to the ‘rich-club phenomenon’ in Network Theory, where ‘rich’ nodes (here, drought hubs) are tightly interconnected to form a club, implicating the possibility of simultaneous large-scale droughts over multiple continents.

Drought↗
DOE OSTI2024

Simulation of gas mixture dynamics in a pipeline network using explicit staggered-grid discretization

Here we develop an explicit staggered finite difference discretization scheme for simulating the transport of highly heterogeneous gas mixtures through pipeline networks. This study is motivated by the proposed blending of hydrogen into natural gas pipelines to reduce end use carbon emissions while using existing pipeline systems throughout their planned lifetimes. Our computational method accommodates an arbitrary number of constituent gases with very different physical properties that may be injected into a network with significant spatiotemporal variation. In this setting, the gas flow physics are highly location- and time- dependent, so that local composition and nodal mixing must be accounted for. The resulting conservation laws are formulated in terms of pressure, partial densities and flows, and volumetric and mass fractions of the constituents. We include non-ideal equations of state that employ linear approximations of gas compressibility factors, so that the pressure dynamics propagate locally according to a variable wave speed that depends on mixture composition and density. We derive compatibility relationships for network edge boundary values that are more complex than for a homogeneous gas. The simulation method is evaluated on initial boundary value problems for a single pipe and a small network, is cross-validated with a lumped element simulation, and used to demonstrate a local monitoring and control policy for maintaining allowable concentration levels.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Reverse-mode differentiation in arbitrary tensor network format: with application to supervised learning.

This paper describes an efficient reverse-mode differentiation algorithm for contraction operations of tensor networks that may have arbitrary and unconventional network topologies. The approach leverages the tensor contraction tree of Evenbly and Pfeifer (2014), which provides an instruction set for the contraction sequence of a network. We show that this tree can be efficiently leveraged for differentiation of a full tensor network contraction using a recursive scheme that exploits (1) the bilinear property of contraction and (2) the property that trees have single path from root to leaves. While differentiation of tensor-tensor contraction is already possible in most automatic differentiation packages, we show that exploiting these two additional properties in the specific context of contraction sequences can improve efficiency. Following a description of the algorithm and computational complexity analysis, we investigate its utility for gradient-based supervised learning for low-rank function recovery and for fitting real-world unstructured datasets. We demonstrate improved performance over alternating least-squares optimization approaches and the capability to handle heterogeneous and arbitrary tensor network formats. When compared to alternating minimization algorithms, we find that the gradient-based approach requires a smaller oversampling ratio (number of samples compared to number model parameters) for recovery. This increased efficiency extends to fitting unstructured data of varying dimensionality and when employing a variety of tensor network formats. Here, we show improved learning using the hierarchical Tucker method over the tensor-train in high-dimensional settings on a number of benchmark problems.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

INSPiRE – An Approach to Mission Quality Management using Network Slicing for Space Applications

Managing traffic between the Earth-Moon and Earth-Mars is a complex process requiring significant investment in resources and expertise at NASA. INSPiRE improves the performance of space networks by enabling a dynamic re-configuration process that works for any mixed topology over a heterogeneous and multi-vendor network. To achieve the desired functionality, INSPiRE incorporates a set of algorithms, machine learning processes, and policy inference to handle unpredictable, disruptive events. INSPiRE draws parallels from the current notion of the 3GPP (5G and beyond) Network Slicing approach, where the same physical network divides into several virtual networks, and for each of these virtual networks, there is a guaranteed Quality of Service for the missions that they serve.

cognitive communications↗
DOE OSTI2020

Active-Site Environmental Factors Customize the Photophysics of Photoenzymatic Old Yellow Enzymes

The development of non-natural photoenzymatic systems has reinvigorated the study of photoinduced electron transfer (ET) within protein active sites, providing new and unique platforms for understanding how biological environments affect photochemical processes. Here, we use ultrafast spectroscopy to compare the photoinduced electron transfer in known photoenzymes. 12-Oxophytodienoate reductase 1 (OPR1) is compared to Old Yellow Enzyme 1 (OYE1) and morphinone reductase (MR). The latter enzymes are structurally homologous to OPR1. We find that slight differences in the amino acid composition of the active sites of these proteins determine their distinct electron-transfer dynamics. Our work suggests that the inside of a protein active site is a complex/heterogeneous dielectric network where genetically programmed heterogeneity near the site of biological ET can significantly affect the presence and lifetime of various intermediate states. Our work motivates additional tunability of Old Yellow Enzyme active-site reorganization energy and electron-transfer energetics that could be leveraged for photoenzymatic redox approaches.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Hierarchical Self-Assembly of Carbon Dots into High-Aspect-Ratio Nanowires

Here, we report a spontaneous and hierarchical self-assembly mechanism of carbon dots prepared from citric acid and urea into nanowire structures with large aspect ratios (>50). Scattering-type scanning near-field optical microscopy (s-SNOM) with broadly tunable mid-IR excitation was used to interrogate details of the self-assembly process by generating nanoscopic chemical maps of local wire morphology and composition. s-SNOM images capture the evolution of wire formation and the complex interplay between different chemical constituents directing assembly over the nano- to microscopic length scales. We propose that residual citrate promotes tautomerization of melamine surface functionalities to produce supramolecular shape synthons comprised of melamine-cyanurate adducts capable of forming long-range and highly directional hydrogen-bonding networks. This intrinsic, heterogeneity-driven self-assembly mechanism reflects synergistic combinations of high chemical specificity and long-range cooperativity that may be harnessed to reproducibly fabricate functional structures on arbitrary surfaces.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1992

On-line replacement of program modules using AdaPT

One purpose of our research is the investigation of the effectiveness and expressiveness of AdaPT(1), a set of language extensions to Ada 83, for distributed systems. As a part of that effort, we are now investigating the subject of replacing, e.g., upgrading, software modules while the software system remains in operation. The AdaPT language extension provide a good basis for this investigation for several reasons: (1) they include the concept of specific, self-contained program modules which can be manipulated; (2) support for program configuration is included in the language; and (3) although the discussion will be in terms of the AdaPT language, the AdaPT to Ada 83 conversion methodology being developed as another part of this project will provide a basis for the application of our findings to Ada 83 systems. The purpose of this investigation is to explore the basic mechanisms to the replacement process. Thus, while replacement in the presence of real-time deadlines, heterogeneous systems, and unreliable networks is certainly a topic of interest, we will first gain an understanding of the basic processes in the absence of such concerns. The extension of the replacement process to more complex situations can be made later. This report will establish an overview of the on-line upgrade problem, and present a taxonomy of the various aspects of the replacement process.

Waldrop, Raymond S.↗
NASA NTRS1993

On-line upgrade of program modules using AdaPT

One purpose of our research is the investigation of the effectiveness and expressiveness of AdaPT, a set of language extensions to Ada 83, for distributed systems. As a part of that effort, we are now investigating the subject of replacing, e.g. upgrading, software modules while the software system remains in operation. The AdaPT language extensions provide a good basis for this investigation for several reasons: they include the concept of specific, self-contained program modules which can be manipulated; support for program configuration is included in the language; and although the discussion will be in terms of the AdaPT language, the AdaPT to Ada 83 conversion methodology being developed as another part of this project will provide a basis for the application of our findings to Ada 83 and Ada 9X systems. The purpose of this investigation is to explore the basic mechanisms of the replacement process. With this purpose in mind, we will avoid including issues whose presence would obscure these basic mechanisms by introducing additional, unrelated concerns. Thus, while replacement in the presence of real-time deadlines, heterogeneous systems, and unreliable networks is certainly a topic of interest, we will first gain an understanding of the basic processes in the absence of such concerns. The extension of the replacement process to more complex situations can be made later. A previous report established an overview of the module replacement problem, a taxonomy of the various aspects of the replacement process, and a solution to one case in the replacement taxonomy. This report provides solutions to additional cases in the replacement process taxonomy: replacement of partitions with state and replacement of nodes. The solutions presented here establish the basic principles for module replacement. Extension of these solutions to other more complicated cases in the replacement taxonomy is direct, though requiring substantial work beyond the available funding.

Waldrop, Raymond S.↗
NASA NTRS2004

Tools for Administration of a UNIX-Based Network

Several computer programs have been developed to enable efficient administration of a large, heterogeneous, UNIX-based computing and communication network that includes a variety of computers connected to a variety of subnetworks. One program provides secure software tools for administrators to create, modify, lock, and delete accounts of specific users. This program also provides tools for users to change their UNIX passwords and log-in shells. These tools check for errors. Another program comprises a client and a server component that, together, provide a secure mechanism to create, modify, and query quota levels on a network file system (NFS) mounted by use of the VERITAS File SystemJ software. The client software resides on an internal secure computer with a secure Web interface; one can gain access to the client software from any authorized computer capable of running web-browser software. The server software resides on a UNIX computer configured with the VERITAS software system. Directories where VERITAS quotas are applied are NFS-mounted. Another program is a Web-based, client/server Internet Protocol (IP) address tool that facilitates maintenance lookup of information about IP addresses for a network of computers.

LeClaire, Stephen↗
DOE OSTI2024

Development of Whole System Digital Twins for Advanced Reactors: Leveraging Graph Neural Networks and SAM Simulations

Here, in this work, we introduce a novel method to develop whole system digital twins (DTs) for advanced nuclear reactors. This method treats a complex reactor system as a heterogeneous graph: with the system components as different types of graph nodes and their physical interconnections as edges. Based on the heterogeneous graph, a graph neural network combining graph convolution and temporal node attention is developed as the DT, facilitating a comprehensive understanding of the system's dynamic behavior. By utilizing the System Analysis Module (SAM) code for simulating various operational transients, we develop a graph-based database that trains the DT. This DT is characterized by two primary functions: It can infer the entire system's status using sparse node information, and it can predict the progress of transients based on current and historical system information. Our approach is validated through case studies on the Experimental Breeder Reactor II (EBR-II) system and a generic Fluoride-salt-cooled High-temperature Reactor (gFHR), demonstrating the DT's accuracy in forecasting operational transients. The DT's rapid computation capabilities enhance its potential for supporting advanced reactor operations, offering benefits in intelligent simulation, autonomous control, and anomaly detection, paving the way for improved safety analysis and intelligent component health management for advanced reactor systems and reducing their operations and maintenance cost.

EBR-II↗