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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computational Framework for Machine-Learning-Enabled 13 C Fluxomics

13 C metabolic flux analysis (MFA) has emerged as a powerful tool for synthetic biology. This optimization-based approach suffers long computation time and unstable solutions depending on the initial guess. Here, we develop a machine-learning-based framework for 13 C fluxomics. Specifically, training and test data sets are generated by metabolic network decomposition and flux sampling, in which flux ratios at metabolic nodes and simulated labeling patterns of metabolites are used as training targets and features, respectively. To improve prediction accuracy and simplify the model, automated processes are developed for flux ratio selection based on solvability and feature screening based on importance. We found that predictive performance can be significantly improved using both amino acids and central carbon metabolites in comparison with amino acids alone. Together with measured external fluxes, the predicted flux ratios determine the mass balance system, yielding global flux distributions. This approach is validated by flux estimation using both simulated and experimental data in comparison with canonical 13 C MFA. The approach represents a reliable fluxomics method readily applicable to high-throughput metabolic phenotyping, which highlights the advances of intelligent learning algorithms in synthetic biology, specifically in the Test and Learn stage of the Design-Build-Test-Learn cycle.

13C metabolic flux analysis↗
DOE OSTI2026

Ion-Electron Coupling-Driven Redox Behavior in Metal–Organic Frameworks

Redox-active metal–organic frameworks (MOFs) have long been proposed as electronic transport platforms, yet the microscopic origin of their conductivity remains debated. A theoretical demonstration reveals charge transport in a Zn(pyrazole–naphthalene diimide (NDI)) MOF arising not from delocalized band-like states but from redox hopping between discrete linker sites. Using ab initio molecular dynamics simulations combined with electronic structure analysis, we established a direct link among electron injection, structural reorganization, and transport. Electron accumulation proceeds sequentially and site-selectively from imide and carbonyl groups of the NDI core progressively involving pyrazole N atoms at higher reduction states, through a hierarchy of redox-active sites. In contrast, Zn nodes remain essentially redox-inactive, which confirms their structural role. Density-of-states analysis corroborates a transport regime dominated by linker-centered states with evolving p-character upon reduction, resulting in dynamically reconfigured conduction networks. Real-time trajectories reveal anisotropic linker-to-linker electron transfer modulated by counterion coordination. This cooperative ion–electron regime emerges from potential energy surface collapse into a single low-barrier transition (ΔG ‡ ≈ 45 meV), where ionic and electronic motions evolve adiabatically on the same free-energy landscape. Elucidating redox conductivity in Zn(pyrazole–NDI) MOFs provides a theoretical framework for use in neuromorphic computing and related technologies.

Charge transfer↗
DOE OSTI2025

If We Build Them, They Will Run: Automated HPC Apps Deployment and Profiling with eBPF in Cloud

The high performance computing (HPC) community is in a period of transition. The rise of AI/ML coupled with a changing landscape of resources deems portability a new metric of performance, and methods to move between on-premises and cloud environments and assess compatibility are paramount. Here we design and test a strategy for bridging the gap between traditional HPC and Kubernetes environments – first containerizing applications, providing automated orchestration to run studies, and packaging the setup with automated means to assess performance using low overhead eXtended Berkeley Packet Filter (eBPF) programs. We first assess different designs for eBPF collection, demonstrating a tradeoff between number of programs deployed on a node and overhead added. We develop 5 low overhead eBPF programs that combine with streaming ML models to assess CPU, futex, TCP, shared memory, and file access across four different builds of an HPC application for CPU and GPU. We use eBPF data to generate insights into the possible underlying etiology of scaling issues. We then assess compatibility of a well-known benchmark, HPCG, across matrices of micro-architectures and optimization levels (217 containers across 24 instance types and over 7500 runs). We provide to the community 30 applications to deploy in our automated setup and perform a scaling study from 4 to a maximum of 256 nodes for both CPU and GPU applications. Finally, we use our gained knowledge about performance to generate compatibility artifacts that are used by a newly developed Kubernetes controller to intelligently select instance type based on optimizing a figure of merit. Along with insights to scaling in this environment with a collection of applications and templates to work from, we provide an overall strategy for approaching HPC application deployment and image selection based on compatibility in cloud.

Computer science↗
NASA NTRS1996

Algebraic Multigrid by Smoothed Aggregation for Second and Fourth Order Elliptic Problems

Multigrid methods are very efficient iterative solvers for system of algebraic equations arising from finite element and finite difference discretization of elliptic boundary value problems. The main principle of multigrid methods is to complement the local exchange of information in point-wise iterative methods by a global one utilizing several related systems, called coarse levels, with a smaller number of variables. The coarse levels are often obtained as a hierarchy of discretizations with different characteristic meshsizes, but this requires that the discretization is controlled by the iterative method. To solve linear systems produced by existing finite element software, one needs to create an artificial hierarchy of coarse problems. The principal issue is then to obtain computational complexity and approximation properties similar to those for nested meshes, using only information in the matrix of the system and as little extra information as possible. Such algebraic multigrid method that uses the system matrix only was developed by Ruge. The prolongations were based on the matrix of the system by partial solution from given values at selected coarse points. The coarse grid points were selected so that each point would be interpolated to via so-called strong connections. Our approach is based on smoothed aggregation introduced recently by Vanek. First the set of nodes is decomposed into small mutually disjoint subsets. A tentative piecewise constant interpolation (in the discrete sense) is then defined on those subsets as piecewise constant for second order problems, and piecewise linear for fourth order problems. The prolongation operator is then obtained by smoothing the output of the tentative prolongation and coarse level operators are defined variationally.

Vanek, Petr↗
NASA NTRS2002

Silicon-on-insulator (SOI) active pixel sensors with the photosite implemented in the substrate

Active pixel sensors for a high quality imager are fabricated using a silicon-on-insulator (SOI) process by integrating the photodetectors on the SOI substrate and forming pixel readout transistors on the SOI thin-film. The technique can include forming silicon islands on a buried insulator layer disposed on a silicon substrate and selectively etching away the buried insulator layer over a region of the substrate to define a photodetector area. Dopants of a first conductivity type are implanted to form a signal node in the photodetector area and to form simultaneously drain/source regions for a first transistor in at least a first one of the silicon islands. Dopants of a second conductivity type are implanted to form drain/source regions for a second transistor in at least a second one of the silicon islands. Isolation rings around the photodetector also can be formed when dopants of the second conductivity type are implanted. Interconnections among the transistors and the photodetector are provided to allow signals sensed by the photodetector to be read out via the transistors formed on the silicon islands.

Pain, Bedabrata↗
NASA NTRS2005

Silicon-on-insulator (SOI) active pixel sensors with the photosite implemented in the substrate

Active pixel sensors for a high quality imager are fabricated using a silicon-on-insulator (SOI) process by integrating the photodetectors on the SOI substrate and forming pixel readout transistors on the SOI thin-film. The technique can include forming silicon islands on a buried insulator layer disposed on a silicon substrate and selectively etching away the buried insulator layer over a region of the substrate to define a photodetector area. Dopants of a first conductivity type are implanted to form a signal node in the photodetector area and to form simultaneously drain/source regions for a first transistor in at least a first one of the silicon islands. Dopants of a second conductivity type are implanted to form drain/source regions for a second transistor in at least a second one of the silicon islands. Isolation rings around the photodetector also can be formed when dopants of the second conductivity type are implanted. Interconnections among the transistors and the photodetector are provided to allow signals sensed by the photodetector to be read out via the transistors formed on the silicon islands.

Zheng, Xinyu↗
NASA NTRS2004

Solar Array Panels With Dust-Removal Capability

It has been proposed to incorporate piezoelectric vibrational actuators into the structural supports of solar photovoltaic panels, for the purpose of occasionally inducing vibrations in the panels in order to loosen accumulated dust. Provided that the panels were tilted, the loosened dust would slide off under its own weight. Originally aimed at preventing obscuration of photovoltaic cells by dust accumulating in the Martian environment, the proposal may also offer an option for the design of solar photovoltaic panels for unattended operation at remote locations on Earth. The figure depicts a typical lightweight solar photovoltaic panel comprising a backside grid of structural spars that support a thin face sheet that, in turn, supports an array of photovoltaic cells on the front side. The backside structure includes node points where several spars intersect. According to the proposal, piezoelectric buzzers would be attached to the node points. The process of designing the panel would be an iterative one that would include computational simulation of the vibrations by use of finite- element analysis to guide the selection of the vibrational frequency of the actuators and the cross sections of the spars to maximize the agitation of dust.

Dawson, Stephen↗
DOE OSTI2023

Biomass yield in a genetically diverse Miscanthus sacchariflorus germplasm panel phenotyped at five locations in Asia, North America, and Europe

Abstract Miscanthus is a high‐yielding bioenergy crop that is broadly adapted to temperate and tropical environments. Commercial cultivation of Miscanthus is predominantly limited to a single sterile triploid clone of Miscanthus × giganteus , a hybrid between Miscanthus sacchariflorus and M. sinensis. To expand the genetic base of M. × giganteus , the substantial diversity within its progenitor species should be used for cultivar improvement and diversification. Here, we phenotyped a diversity panel of 605 M. sacchariflorus from six previously described genetic groups and 27 M. × giganteus genotypes for dry biomass yield and 16 yield‐component traits, in field trials grown over 3 years at one subtropical location (Zhuji, China) and four temperate locations (Foulum, Denmark; Sapporo, Japan; Urbana, Illinois; and Chuncheon, South Korea). There was considerable diversity in yield and yield‐component traits among and within genetic groups of M. sacchariflorus , and across the five locations. Biomass yield of M. sacchariflorus ranged from 0.003 to 34.0 Mg ha −1 in year 3. Variation among the genetic groups was typically greater than within, so selection of genetic group should be an important first step for breeding with M. sacchariflorus . The Yangtze 2x genetic group (=ssp. lutarioriparius ) of M. sacchariflorus had the tallest and thickest culms at all locations tested. Notably, the Yangtze 2x genetic group's exceptional culm length and yield potential were driven primarily by a large number of nodes (>29 nodes culm −1 average over all locations), which was consistent with the especially late flowering of this group. The S Japan 4x, the N China/Korea/Russia 4x, and the N China 2x genetic groups were also promising genetic resources for biomass yield, culm length, and culm thickness, especially for temperate environments. Culm length was the best indicator of yield potential in M. sacchariflorus . These results will inform breeders' selection of M. sacchariflorus genotypes for population improvement and adaptation to target production environments.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1989

Local area network with fault-checking, priorities, and redundant backup

This invention is a redundant error detecting and correcting local area networked computer system having a plurality of nodes each including a network connector board within the node for connecting to an interfacing transceiver operably attached to a network cable. There is a first network cable disposed along a path to interconnect the nodes. The first network cable includes a plurality of first interfacing transceivers attached thereto. A second network cable is disposed in parallel with the first cable and, in like manner, includes a plurality of second interfacing transceivers attached thereto. There are a plurality of three position switches each having a signal input, three outputs for individual selective connection to the input, and a control input for receiving signals designating which of the outputs is to be connected to the signal input. Each of the switches includes means for designating a response address for responding to addressed signals appearing at the control input and each of the switches further has its signal input connected to a respective one of the input/output lines from the nodes. Also, one of the three outputs is connected to a repective one of the plurality of first interfacing transceivers. There is master switch control means having an output connected to the control inputs of the plurality of three position switches and an input for receiving directive signals for outputting addressed switch position signals to the three position switches as well as monitor and control computer means having a pair of network connector boards therein connected to respective ones of one of the first interfacing transceivers and one of the second interfacing transceivers and an output connected to the input of the master switch means for monitoring the status of the networked computer system by sending messages to the nodes and receiving and verifying messages therefrom and for sending control signals to the master switch to cause the master switch to cause respective ones of the nodes to use a desired one of the first and second cables for transmitting and receiving messages and for disconnecting desired ones of the nodes from both cables.

Morales, Sergio↗
DOE OSTI2025

DIMPLES: Distributed Influence Maximization for Pandemic pLanning on Exascale Systems

We study exascale parallel algorithms for the selection of intervention or monitoring strategies in massive realistic socio-technical networks through scalable Influence Maximization (InfMax) algorithms. We employ novel techniques to enable efficient scaling on up to 8k nodes of OLCF Frontier, with 65k AMD GPUs and 458k AMD CPU cores. Current state-of-the-art InfMax tools are limited to networks with only a few million actors (vertices) and a few hundred million interactions (edges). By overcoming these limitations, we show that our approach is capable of processing a realistic social contact network of the United States with 285 million nodes and about 8 billion edges. This two orders-of-magnitude improvement over the previous state-of-the-art is obtained by leveraging algorithmic advancements for the InfMax problem and designing several problem-specific approaches to overlap communication with computation, improve GPU efficiency, and lower the application’s memory requirements. We evaluate strong scaling for computing 10k most influential seeds using up to 8k nodes of an exascale system, and weak scaling from 128 to 8k system nodes for seed sets ranging from 625 to 40k seeds. We achieve the fastest-known runtime of 25 minutes while performing 48 million diffusion simulations totaling 2.31 petabytes to identify 40k influential seeds using 8k nodes, and take 5.75 minutes to identify 10k seeds while using 4k nodes.

Minutoli, Marco [Pacific Northwest National Labora↗
DOE OSTI2020

Defining the Environmental Adaptations of Genus Devosia: Insights into its Expansive Short Peptide Transport System and Positively Selected Genes

Devosia are well known for their dominance in soil habitats contaminated with various toxins and are best characterized for their bioremediation potential. In this study, we compared the genomes of 27 strains of Devosia with aim to understand their metabolic abilities. The analysis revealed their adaptive gene repertoire which was bared from 52% unique pan-gene content. A striking feature of all genomes was the abundance of oligo- and di-peptide permeases (oppABCDF and dppABCDF) with each genome harboring an average of 60.7±19.1 and 36.5±10.6 operon associated genes respectively. Apart from their primary role in nutrition, these permeases may help Devosia to sense environmental signals and in chemotaxis at stressed habitats. Through sequence similarity network analyses, we identified 29 Opp and 19 Dpp sequences that shared very little homology with any other sequence suggesting an expansive short peptidic transport system within Devosia. The substrate determining components of these permeases viz. OppA and DppA further displayed a large diversity that separated into 12 and 9 homologous clusters respectively in addition to large number of isolated nodes. We also dissected the genome scale positive evolution and found genes associated with growth (exopolyphosphatase, HesB_IscA_SufA family protein), detoxification (moeB, nifU-like domain protein, alpha/beta hydrolase), chemotaxis (cheB, luxR) and stress response (phoQ, uspA, luxR, sufE) were positively selected. The study highlights the genomic plasticity of the Devosia spp. for conferring adaptation, bioremediation and the potential to utilize a wide range of substrates. The widespread toxin-antitoxin loci and ‘open’ state of the pangenome provided evidence of plastic genomes and a much larger genetic repertoire of the genus which is yet uncovered.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Quantum entanglement distribution coexisting with high-rate, broadband classical optical communications over a real-world fiber connecting remote, synchronized nodes

Compatibility with existing classical network infrastructure offers a scalable path towards deploying large-scale quantum networks. Here, we demonstrate O-band polarization-encoded quantum entanglement distribution over an installed 24.4-km fiber while coexisting with a state-of-the-art fully loaded C-band classical communications line system and a picosecond-level precision L-band synchronization signal. The classical system carries two 800-Gbps channels while the remainder of the C-band is filled with amplified spontaneous emission, as is standard for such state-of-the-art communications systems. We examine the spontaneous Raman scattering spectrum generated from this broadband C-band light and offer insights into wavelength allocation for O-band quantum channels. Optimal wavelength selection and narrow filtering enable well-preserved Bell state fidelity when coexisting with 21.4-dBm aggregate launch power across the C-band suitable for 36-Tbps transmission. To the best of our knowledge, this is the first implementation of entanglement-based quantum communications between two remote nodes coexisting with independent classical communications traffic. We demonstrate coexistence of quantum entanglement with ultra-high power levels and record classical bandwidth, offering promise for real-world entanglement-based networking integrated within high-capacity communications infrastructure.

Talcott, Gina M. [Northwestern U.] (ORCID:00000002↗
DOE OSTI2019

Sequestration of Radionuclides in Metal–Organic Frameworks from Density Functional Theory Calculations

The high porosity, modularity, and synthetic diversity of metal-organic frameworks (MOFs) make them attractive candidate materials for selective sensing, separation, and sequestration of the radionuclides present in the nuclear wastes. Here, we use Density Functional Theory (DFT) calculations to determine the favorability of ion-exchange at the metal node of Tc, U, Th, Am, and Cm in Zr-, U-, and Th-based MOF clusters. A range of DFT methods, including several exchange-correlation functionals, DFT+U technique, relativistic effects, and magnetic effects are employed to establish robustness in the results. We also explore various reference states of ions including the vacuum, continuum water medium and explicit water molecules surrounding ions. Substitution of Tc, Am, Cm, and Th is believed to be energetically favorable in all the MOFs using ions surrounded by explicit water molecules as a reference.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Variability in Ocean Color Associated with Phytoplankton and Terrigenous Matter: Time Series Measurements and Algorithm Development at the FRONT Site on the New England Continental Shelf

Fronts in the coastal ocean describe areas of strong horizontal gradients in both physical and biological properties associated with tidal mixing and freshwater estuarine output (e.g. Simpson, 1981 and O Donnell, 1993). Related gradients in optically important constituents mean that fronts can be observed from space as changes in ocean color as well as sea surface temperature (e.g., Dupouy et al., 1986). This research program is designed to determine which processes and optically important constituents must be considered to explain ocean color variations associated with coastal fronts on the New England continental shelf, in particular the National Ocean Partnership Program (NOPP) Front Resolving Observational Network with Telemetry (FRONT) site. This site is located at the mouth of Long Island sound and was selected after the analysis of 12 years of AVHRR data showed the region to be an area of strong frontal activity (Ullman and Cornillon, 1999). FRONT consists of a network of modem nodes that link bottom mounted Acoustic Doppler Current Profilers (ADCPs) and profiling arrays. At the center of the network is the Autonomous Vertically Profiling Plankton Observatory (AVPPO) (Thwaites et al. 1998). The AVPPO consists of buoyant sampling vehicle and a trawl-resistant bottom-mounted enclosure, which holds a winch, the vehicle (when not sampling), batteries, and controller. Three sampling systems are present on the vehicle, a video plankton recorder, a CTD with accessory sensors, and a suite of bio-optical sensors including Satlantic OCI-200 and OCR-200 spectral radiometers and a WetLabs ac-9 dual path absorption and attenuation meter. At preprogrammed times the vehicle is released, floats to the surface, and is then winched back into the enclosure with power and data connection maintained through the winch cable. Communication to shore is possible through a bottom cable and nearby surface telemetry buoy, equipped with a mobile modem, giving the capability for near-real time data transmission and interactive sampling control.

Morrison, John R.↗
DOE OSTI2023

Bismuth-Polyoxocation Coordination Networks: Controlling Nuclearity and Dimension-Dependent Photocatalysis

Bismuth-oxocluster nodes for metal–organic frameworks (MOFs) and coordination networks/polymers are less prolific than other families featuring zinc, zirconium, titanium, lanthanides, etc. However, Bi 3+ is non-toxic, it readily forms polyoxocations, and its oxides are exploited in photocatalysis. This family of compounds provides opportunity in medicinal and energy applications. Here, we show that Bi node nuclearity depends on solvent polarity, leading to a family of Bi x -sulfonate/carboxylate coordination networks with x = 1–38. Larger nuclearity-node networks were obtained from polar and strongly coordinating solvents, and we attribute the solvent’s ability to stabilize larger species in solution. Here, the strong role of the solvent and the lesser role of the linker in defining node topologies differ from other MOF syntheses, and this is due to the Bi 3+ intrinsic lone pair that leads to weak node–linker interactions. We describe this family by single-crystal X-ray diffraction (eleven structures), obtained in pure forms and high yields. Ditopic linkers include NDS (1,5-naphthalenedisulfonate), DDBS (2,2'-[biphenyl-4,4'-diylchethane-2,1-diyl] dibenzenesulphonate), and NH 2 -benzendicarboxylate (BDC). While the BDC and NDS linkers yield more open-framework topologies that resemble those obtained by carboxylate linkers, topologies with DDBS linkers appear to be in part driven by association between DDBS molecules. An in situ small-angle X-ray scattering study of Bi 38 -DDBS reveals stepwise formation, including Bi 38 -assembly, pre-organization in solution, followed by crystallization, confirming the less important role of the linker. We demonstrate photocatalytic hydrogen (H 2 ) generation with select members of the synthesized materials without the benefit of a co-catalyst. Band gap determination from X-ray photoelectron spectroscopy (XPS) and UV–vis data suggest the DDBS linker effectively absorbs in the visible range with ligand-to-Bi-node charge transfer. In addition, materials containing more Bi (larger Bi 38 -nodes or Bi 6 inorganic chains) exhibit strong UV absorption, also contributing to effective photocatalysis by a different mechanism. All tested materials became black with extensive UV–vis exposure, and XPS, transmission electron microscopy, and X-ray scattering of the black Bi 38 -framework suggest that Bi o is formed in situ, without phase segregation. This evolution leads to enhanced photocatalytic performance, perhaps due to increased light absorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Thermoelectric Generator Powered Wireless Sensor Node Prototype for Nuclear Applications

This report presents the development a TEG-powered WSN prototype that could be used in nuclear applications. Different design considerations that are important in assembling different components of a WSN were carefully taken into consideration. In designed WSN is compatible to operate with low-power generating TEG and high-power generating TEG based on application requirements. Also, to maintain appropriate power level across different sensor node components, direct current-to-direct current converter with maximum peak power tracking algorithm is implemented. Storage device with real-time clock is embedded to enable local data storage and real-time time stamping. The wireless communication module selected and implemented is Zig Bee protocol. To accommodate different operating conditions and any loss of power from TEG due to unforeseen reasons, backup battery system is also implemented. Entire assembly is performed on a 2-layer printed circuit board and tested for operation. The outcome was successful and it also provided data to validate the mathematical model developed to estimate average power consumption of a WSN under different operating conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

No Evidence for Orbital Clustering in the Extreme Trans-Neptunian Objects

The apparent clustering in longitude of perihelion piv and ascending node Ω of extreme trans-Neptunian objects (ETNOs) has been attributed to the gravitational effects of an unseen 5–10 Earth-mass planet in the outer solar system. To investigate how selection bias may contribute to this clustering, we consider 14 ETNOs discovered by the Dark Energy Survey, the Outer Solar System Origins Survey, and the survey of Sheppard and Trujillo. Using each survey's published pointing history, depth, and TNO tracking selections, we calculate the joint probability that these objects are consistent with an underlying parent population with uniform distributions in $\bar{w}$ and Ω. We find that the mean scaled longitude of perihelion and orbital poles of the detected ETNOs are consistent with a uniform population at a level between 17% and 94% and thus conclude that this sample provides no evidence for angular clustering.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

Approximate reasoning-based learning and control for proximity operations and docking in space

A recently proposed hybrid-neutral-network and fuzzy-logic-control architecture is applied to a fuzzy logic controller developed for attitude control of the Space Shuttle. A model using reinforcement learning and learning from past experience for fine-tuning its knowledge base is proposed. Two main components of this approximate reasoning-based intelligent control (ARIC) model - an action-state evaluation network and action selection network are described as well as the Space Shuttle attitude controller. An ARIC model for the controller is presented, and it is noted that the input layer in each network includes three nodes representing the angle error, angle error rate, and bias node. Preliminary results indicate that the controller can hold the pitch rate within its desired deadband and starts to use the jets at about 500 sec in the run.

Berenji, Hamid R.↗