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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Machine Learning Approaches for Nuclear Material Accounting Data from Irradiation and Reprocessing

We are currently exploring data analysis methods for their ability to strengthen the synthesis and evaluation of information generated within domestic and international safeguard regimes. Safeguard data typically includes rich heterogenous datasets amenable to advanced data analytics methods, such as machine learning. We have converted transactional data containing both numerical and categorical attributes from a domestic nuclear material control and accountability (NMC&A) system into a low-dimensional numerical structure via linear principal component analysis. This data representation allows for global structure discovery via cluster analysis, which can characterize the typical behavior of each of the primary types of transaction events. Furthermore, the structure of the top principal components captures the “typical behavior” of the data and is thus amenable to anomaly detection through statistical hypothesis testing. We explored this capability by generating erroneous permutations of the data and computing the Q-residual quantity increase associated with the information loss when these data are projected into the low-dimensional principal component analysis space representative of typical transactions.Future work will focus on identifying data transformations (e.g., graph networks) that more closely align with the inherent structure of these transactions to explain more salient information and disambiguate the underlying nuclear process—in this case, irradiation and reprocessing—from artifacts of NMC&A system transactional record keeping data.

Drescher, Adam↗
DOE OSTI2012

Permeability Calculation in a Fracture Network - 12197

Laminar flow of a viscous fluid in the pore space of a saturated fractured rock medium is considered to calculate the effective permeability of the medium. The effective permeability is determined from the flow field which is calculated numerically by using the finite element method. The computation of permeability components is carried out with a few different discretizations for a number of fracture arrangements. Various features such as flow field in the fracture channels, the convergence of permeability, and the variation of permeability among different fracture networks are discussed. The longitudinal permeability in general appears greater than the transverse ones. The former shows minor variations with fracture arrangement whereas the latter appears to be more sensitive to the arrangement. From the calculations of the permeability in a rock medium with a fracture network (two parallel fractures aligned in the direction of 45-deg counterclockwise from the horizontal and two connecting fractures(narrowing, parallel and widening) the following conclusions are drawn. 1. The permeability of fractured medium not only depends on the primary orientation of the main fractures but also is noticeably influenced by the connecting fractures in the medium. 2. The transverse permeability (the permeability in the direction normal to the direction of the externally imposed macro-scale pressure gradient) is only a fraction of the longitudinal one, but is sensitive to the arrangement of the connecting fractures. 3. It is important to figure out the pattern of the fractures that connect (or cross) the main fractures for reliable calculation of the transverse permeability. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Smart Data Mapping for Connecting Power System Model and Geospatial Data

Knowing the geospatial locations of power system model elements is the foundation for analyzing system vulnerability to natural hazards and connecting loads with end users and their communities. However, power system models and geospatial data for power grid assets may have been developed asynchronously without close coordination. Creating a direct mapping between the two may be a challenging task, considering heterogeneous data structures, target uses, historical legacies, and human errors. This work aims to build an automatic data mapping workflow to connect power system model elements and geospatial data for transmission network, and to support energy grid resilience studies for Puerto Rico. The primary steps in this workflow include constructing graphs using geospatial data, and aligning them to the transmission networks defined in the power system data. The results have been evaluated against existing manual mapping practices for part of the Puerto Rico Power Grid model to illustrate the performance of such auto-mapping solutions.

Resilience, geospatial data, grid transmission net↗
DOE OSTI2020

Multi-Channel Entity Alignment via Name Uniqueness Estimation

When searching for adversarial activity within multiple networks, one of the greatest challenges is how to accurately align entities across different channels of information. This task becomes increasingly difficult when minimal additional information is known about each individual besides a name. Within this study, we analyze name rarity and how it can be used to align people on three distinct data channels: Venmo financial transactions, Reddit online discussions, and a bibliographic data source of academic writings. We explore how the uniqueness of a name can be used to decide if a person is likely the same as another across networks, in the absence of any additional ground truth. While 100 percent confidence cannot be gained, we can use this information to clarify when a possible alignment is more or less likely to be the same individual, increasing our confidence of accurately detecting adversarial behavioral patterns. From the data collected, we found that 0.1% of people had the same name across data sets, and 22.5% of those names are considered rare by our threshold. In our study, we also examine the accuracy of our method and show how real names can be extracted from account usernames, and compared in a similar manner.

Orren, Miquette J.↗
DOE OSTI2019

Data-driven efficient network and surveillance-based immunization

Given a contact network and coarse-grained diagnostic information such as electronic Healthcare Reimbursement Claims (eHRC) data, can we develop efficient intervention policies from data to control an epidemic? Immunization is an important problem in multiple areas, especially epidemiology and public health. However, most existing studies rely on assuming prior epidemiological models to develop pre-emptive strategies, which may fail to adapt to the change in new epidemiological patterns and the availability of rich data such as eHRC. In practice, disease spread is usually complicated, hence assuming an underlying model may deviate from true spreading patterns, leading to possibly inaccurate interventions. Additionally, the abundance of health care surveillance data (such as eHRC) makes it possible to study data-driven strategies without too many restrictive assumptions. Therefore, such a data-driven intervention approach can help public-health experts take more practical decisions. In this work, we take into account propagation log and contact networks for controlling propagation. Furthermore, different from previous model-based approaches, our solutions are solely data driven in a sense that we develop immunization strategies directly from the network and eHRC without assuming classical epidemiological models. In particular, we formulate the novel and challenging data-driven immunization problem. To solve it, we first propose an efficient sampling approach to align surveillance data with contact networks, then develop an efficient algorithm with the provably approximate guarantee for immunization. Finally, we show the effectiveness and scalability of our methods via extensive experiments on multiple datasets, and conduct case studies on nation-wide real medical surveillance data.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

SIMILE enables alignment of tandem mass spectra with statistical significance

Abstract Interrelating small molecules according to their aligned fragmentation spectra is central to tandem mass spectrometry-based untargeted metabolomics. Current alignment algorithms do not provide statistical significance and compounds that have multiple delocalized structural differences and therefore often fail to have their fragment ions aligned. Here we align fragmentation spectra with both statistical significance and allowance for multiple chemical differences using Significant Interrelation of MS/MS Ions via Laplacian Embedding (SIMILE). SIMILE yields spectral alignment inferred structural connections in molecular networks that are not found with cosine-based scoring algorithms. In addition, it is now possible to rank spectral alignments based on p-values in the exploration of structural relationships between compounds and enhance the chemical connectivity that can be obtained with molecular networking.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

The NSLS-II Control Network Design

The required positioning tolerances are an essential part of the survey and alignment design. The following tables show the requirement of storage ring. Table 1 provides the required global tolerances, while Table 2 outlines the relative tolerances for the NSLS-II girder-to-girder positioning. These tolerances dictate the instruments and methods necessary to obtain the positioning goals. The global tolerance is a little bit relaxed, but the ± 0.10 mm positioning requirement of adjacent girders is rather strict if the larger dimension and probable foundation settlement is considered. control network. Therefore, whether the goals can be obtained is mainly dependent on the performance of control network. The shape of control network defines the global alignment accuracy, while the relative position relationships of monuments determine the relative positioning accuracy between girders. When deciding the strategy of survey and alignment techniques, the instrumentation and approach of light sources have been built and are still in construction are investigated. State-of-the art equipment and methods will be employed. NSLS-II covers an area of about one-eighth of a square kilometer with a radius of ~126 m and a circumference of ~792 m. Depending on the size of the system to be constructed, primary and secondary control networks are required to achieve these tolerances. Primary control network will provide global control for different tunnels, and it should possess a relative point accuracy of better than ± 3 mm for all the storage ring monuments. Secondary control network will direct the alignment of girders in tunnel with the ability to ensure the final ± 0.10 mm positioning accuracy. The experiences from accomplished light source indicate that: for a dimension like NSLS2, primary control network can obtain a point accuracy of better than ± 1 mm easily, while secondary control network can obtain a relative point accuracy of ± 0.08 mm. With this expectation, the tolerance can be achieved for both the global and relative situation. Take the relative positioning requirement as an example, with 2 control network error of ± 0.08 mm, instrument tie-in error of ± 0.04 mm, and residual error of ± 0.04 mm, according to error propagation formula, the final alignment error should be better than ± 0.1 mm. Correspondingly, if a better control network accuracy can be achieved, the requirement for the residuals can be looser. The further alignment accuracy improvement will be realized by a smoothing process to assure the better position relationship between adjacent girders. The following simulation will perform error analysis to evaluate the estimated accuracy of NSLS II control network.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Hi-C2.1 Observations of Solar Jetlets at Edges of Network Lanes

We present high resolution (0.2”) high cadence (5s) extreme ultraviolet (EUV) observations of small-­scale jetlet-­like features and spicule-­like features observed with NASA’s High-­resolution Coronal Imager2.1 (Hi-C) during its 5‐min observing span. We investigate the magnetic setting of 4 on-disk jetlets and 2 on-­disk spicules by using high resolution 172A images from Hi-­‐C and EUV images from Solar Dynamics Observatory (SDO)/Atmospheric Imaging Assembly (AIA) and line-­of-­sight magnetograms from SDO/Helioseismic and Magnetic Imager (HMI). The jetlets and spicules are at edges of magnetic network lanes. From magnetograms co-­aligned with the Hi-­C and AIA images, we find that the jetlets stem from sites of likely flux cancelation between merging majority-polarity and weaker minority-­polarity flux, but in contrast to larger jetlets observed by IRIS some do not show obvious enhanced brightenings at their base. Based on the similarity of these observations of approx. 4 obvious Hi-­C small jetlets with our previous observations of 10 IRIS larger jetlets and approx. 30 coronal jets in quiet regions and coronal holes, we infer that flux cancelation is probably the essential process in the buildup and triggering of jetlets. Our observations suggest that network jetlet eruptions, large and small, are small-scale analogs of both larger-­scale coronal jet eruptions and the still-­larger-­scale eruptions that makemajor CMEs. For simplicitywe will use termjetlets for jetlet-­like features and spicules for spicule-­like features.

Panesar, Navdeep K.↗
DOE OSTI2022

End-to-end learning of multiple sequence alignments with differentiable Smith–Waterman

Abstract Motivation Multiple sequence alignments (MSAs) of homologous sequences contain information on structural and functional constraints and their evolutionary histories. Despite their importance for many downstream tasks, such as structure prediction, MSA generation is often treated as a separate pre-processing step, without any guidance from the application it will be used for. Results Here, we implement a smooth and differentiable version of the Smith–Waterman pairwise alignment algorithm that enables jointly learning an MSA and a downstream machine learning system in an end-to-end fashion. To demonstrate its utility, we introduce SMURF (Smooth Markov Unaligned Random Field), a new method that jointly learns an alignment and the parameters of a Markov Random Field for unsupervised contact prediction. We find that SMURF learns MSAs that mildly improve contact prediction on a diverse set of protein and RNA families. As a proof of concept, we demonstrate that by connecting our differentiable alignment module to AlphaFold2 and maximizing predicted confidence, we can learn MSAs that improve structure predictions over the initial MSAs. Interestingly, the alignments that improve AlphaFold predictions are self-inconsistent and can be viewed as adversarial. This work highlights the potential of differentiable dynamic programming to improve neural network pipelines that rely on an alignment and the potential dangers of optimizing predictions of protein sequences with methods that are not fully understood. Availability and implementation Our code and examples are available at: https://github.com/spetti/SMURF. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Who's on base? Revealing the catalytic mechanism of inverting family 6 glycoside hydrolases

In several important classes of inverting carbohydrate-active enzymes, the identity of the catalytic base remains elusive, including in family 6 Glycoside Hydrolase (GH6) enzymes, which are key components of cellulase cocktails for cellulose depolymerization. Despite many structural and kinetic studies with both wild-type and mutant enzymes, especially on the Trichoderma reesei (Hypocrea jecorina) GH6 cellulase ( Tr Cel6A), the catalytic base in the single displacement inverting mechanism has not been definitively identified in the GH6 family. Here, we employ transition path sampling to gain insight into the catalytic mechanism, which provides unbiased atomic-level understanding of key order parameters involved in cleaving the strong glycosidic bond. Our hybrid quantum mechanics and molecular mechanics (QM/MM) simulations reveal a network of hydrogen bonding that aligns two active site water molecules that play key roles in hydrolysis: one water molecule drives the reaction by nucleophilic attack on the substrate and a second shuttles a proton to the putative base (D175) via a short water wire. We also investigated the case where the putative base is mutated to an alanine, an enzyme that is experimentally still partially active. The simulations predict that proton hopping along a water wire via a Grotthuss mechanism provides a mechanism of catalytic rescue. Further simulations reveal that substrate processive motion is 'driven' by strong electrostatic interactions with the protein at the product sites and that the -1 sugar adopts a 2 S O ring configuration as it reaches its binding site. Lastly, this work thus elucidates previously elusive steps in the processive catalytic mechanism of this important class of enzymes.

09 BIOMASS FUELS↗
DOE OSTI2015

OBSERVED VARIABILITY OF THE SOLAR Mg II h SPECTRAL LINE

The Mg ii h and k doublet are two of the primary spectral lines observed by the Sun-pointing Interface Region Imaging Spectrograph (IRIS). These lines are tracers of the magnetic and thermal environment that spans from the photosphere to the upper chromosphere. We use a double-Gaussian model to fit the Mg ii h profile for a full-Sun mosaic data set taken on 2014 August 24. We use the ensemble of high-quality profile fits to conduct a statistical study on the variability of the line profile as it relates the magnetic structure, dynamics, and center-to-limb viewing angle. The average internetwork profile contains a deeply reversed core and is weakly asymmetric at h2. In the internetwork, we find a strong correlation between h3 wavelength and profile asymmetry as well as h1 width and h2 width. The average reversal depth of the h3 core is inversely related to the magnetic field. Plage and sunspots exhibit many profiles that do not contain a reversal. These profiles also occur infrequently in the internetwork. We see indications of magnetically aligned structures in plage and network in statistics associated with the line core, but these structures are not clear or extended in the internetwork. The center-to-limb variations are compared to predictions of semi-empirical model atmospheres. We measure a pronounced limb darkening in the line core that is not predicted by the model. The aim of this work is to provide a comprehensive measurement baseline and preliminary analysis on the observed structure and formation of the Mg ii profiles observed by IRIS.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Heating the sun's lower transition region with fine-scale electric currents

Analytical and observational data are presented to show that the lower transition zone, a 100 km thick region at 10,000-200,000 K between the solar chromosphere and corona, is heated by local electric currents. The study was spurred by correlations between the enhanced atmospheric heating and magnetospheric flux in the chromospheric network and active regions. Field aligned current heated flux loops are asserted to mainly reside in and make up most of the transition region. It is shown that thermal conduction from the sides of hot gas columns generated by the current dissipation is the source of the observed temperature distribution in the transition regions.

Rabin, D.↗
NASA NTRS1988

Investigation of RF excited CW CO2 waveguide lasers local oscillator - RF excitation

A new local oscillator housing was built which seems to have improved laser life. Laser cooling was changed from internal water cooling to the more convenient thermal contact cooling. At the present time, a conclusion can not be made if the 20 percent reduction in power output is the result of poorer cooling or poorer grating alignment. The coupling-starting network was improved from 55 to about 90 percent. It can be adjusted by varying trimmers C sub 1 and C sub 2 to match RF power levels between 10 and 30 W. If the laser admittance changes greatly with laser life rematching will have to be achieved by remote control for space applications. The same holds true if the RF power level has to be changed with a maximum efficiency constraint.

Hochuli, U.↗
NASA NTRS2011

Enabling the Capture and Sharing of NASA Technical Expertise Through Communities of Practice

Historically, engineers at the National Aeronautics and Space Administration (NASA) had few opportunities or incentives to share their technical expertise across the Agency. Its center- and project- focused culture often meant that knowledge never left organizational and geographic boundaries. With increasingly complex missions, the closeout of the Shuttle Program, and a new generation entering the workforce, developing a knowledge sharing culture became critical. To address this need, the Office of the Chief Engineer established communities of practice on the NASA Engineering Network. These communities were strategically aligned with NASA's core competencies in such disciplines as avionics, flight mechanics, life support, propulsion, structures, loads and dynamics, human factors, and guidance, navigation, and control. This paper describes the process used to identify and develop communities, from establishing simple websites that compiled discipline-specific resources to fostering a knowledge-sharing environment through collaborative and interactive technologies. It includes qualitative evidence of improved availability and transfer of knowledge. It focuses on pivotal capabilities that increased knowledge exchange such as a custom-made Ask An Expert system, community contact lists, publication of key resources, and submission forms that allowed any user to propose content for the sites. It discusses the peer relationships that developed through the communities and the leadership and infrastructure that made them possible.

Topousis, Daria E.↗
DOE OSTI2012

Mass Spectral Molecular Networking of Living Microbial Colonies

Integrating the governing chemistry with the genomics and phenotypes of microbial colonies has been a "holy grail" in microbiology. This work describes a highly sensitive, broadly applicable, and costeffective approach that allows metabolic profiling of live microbial colonies directly from a Petri dish without any sample preparation. Nanospray desorption electrospray ionization mass spectrometry (MS), combined with alignment of MS data and molecular networking, enabled monitoring of metabolite production from live microbial colonies from diverse bacterial genera, including Bacillus subtilis, Streptomyces coelicolor, Mycobacterium smegmatis, and Pseudomonas aeruginosa. This work demonstrates that, by using these tools to visualize small molecular changes within bacterial interactions, insights can be gained into bacterial developmental processes as a result of the improved organization of MS/MS data. To validate this experimental platform, metabolic profiling was performed on Pseudomonas sp. SH-C52, which protects sugar beet plants from infections by specific soil-borne fungi [R. Mendes et al. (2011) Science 332:1097–1100]. The antifungal effect of strain SHC52 was attributed to thanamycin, a predicted lipopeptide encoded by a nonribosomal peptide synthetase gene cluster. Our technology, in combination with our recently developed peptidogenomics strategy, enabled the detection and partial characterization of thanamycin and showed that it is amonochlorinated lipopeptide that belongs to the syringomycin family of antifungal agents. In conclusion, the platform presented here provides a significant advancement in our ability to understand the spatiotemporal dynamics of metabolite production in live microbial colonies and communities.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1990

Method and apparatus for transmitting data

A method and apparatus for transmitting a byte-organized serial data stream from a transmitting station to a receiving station that may employ byte boundaries different than the transmitting station. The technique includes sending N different data streams from the remote terminal, where N is the number of different framing alignments that may be imposed on the unframed data stream by the network. The different data streams are chosen so that one will be framed by the network as the intended data stream regardless of which framing alignment is actually imposed.

Schroeder, George L.↗