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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The carbon nanotube formation parameter space: data mining and mechanistic understanding for efficient resource use

Carbon nanotube (CNT) synthesis via catalytic chemical vapor deposition is relatively energy consumptive and among the least efficient reactions with respect to carbon conversion efficiency. Interestingly, these processes can be fed using a diverse set of hydrocarbon starting materials, including methane, ethylene, and acetylene, over a wide range of operating temperatures and carbon-to-hydrogen feedstock ratios. Mapping the parameter space for successful CNT growth through data extraction from published literature illuminated the most energy- and material- efficient synthetic pathways in practice to date and provided insights on thermodynamic limitation of CNT growth (i.e., the fundamental mechanisms of CNT formation). Further experimental investigations confirmed that emergent trends in the literature were the result of physicochemical constraints on the process rather than behavioral inertia in the community. The initiation temperatures for CNT growth from acetylene, ethylene, and methane feedstocks via direct experimentation were 550, 700, and 950 °C, respectively, consistent with the trend in literature-extracted mean optima (642 ± 128, 739 ± 82, and 858 ± 125 °C, respectively). These relative temperatures are consistent with a universal CNT growth mechanism, wherein all carbon feedstocks are converted to alkyne-containing species that serve as direct precursors for CNT growth. Mitigating this step with rational carbon precursor delivery, rather than relying on heat to generate the most reactive precursors in situ, could largely reduce the environmental burdens in CNT manufacturing. Indeed, manipulating the starting gas-phase composition and minimizing the thermal treatment through the use of C 2 H 2 increased carbon conversion yield by a factor of more than 10 compared to C 2 H 4 , and, consequently, should minimize hazardous volatile organic compound and polycyclic aromatic hydrocarbon emissions. Finally, the methodology utilized in this study is transferrable to guide the green synthesis of other materials and should be automated in the future for high-throughput screening of the vast process chemistry literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Large-Scale Public Transcriptomic Data Mining Reveals a Tight Connection between the Transport of Nitrogen and Other Transport Processes in Arabidopsis

Movement of nitrogen to the plant tissues where it is needed for growth is an important contribution to nitrogen use efficiency. However, we have very limited knowledge about the mechanisms of nitrogen transport. Loading of nitrogen into the xylem and/or phloem by transporter proteins is likely important, but there are several families of genes that encode transporters of nitrogenous molecules (collectively referred to as N transporters here), each comprised of many gene members. In this study, we leveraged publicly available microarray data of Arabidopsis to investigate the gene networks of N transporters to elucidate their possible biological roles. First, we showed that tissue-specificity of nitrogen (N) transporters was well reflected among the public microarray data. Then, we built coexpression networks of N transporters, which showed relationships between N transporters and particular aspects of plant metabolism, such as phenylpropanoid biosynthesis and carbohydrate metabolism. Furthermore, genes associated with several biological pathways were found to be tightly coexpressed with N transporters in different tissues. Our coexpression networks provide information at the systems-level that will serve as a resource for future investigation of nitrogen transport systems in plants, including candidate gene clusters that may work together in related biological roles.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Computational Estimation by Scientific Data Mining with Classical Methods to Automate Learning Strategies of Scientists

Experimental results are often plotted as 2-dimensional graphical plots (aka graphs) in scientific domains depicting dependent versus independent variables to aid visual analysis of processes. Repeatedly performing laboratory experiments consumes significant time and resources, motivating the need for computational estimation. The goals are to estimate the graph obtained in an experiment given its input conditions, and to estimate the conditions that would lead to a desired graph. Existing estimation approaches often do not meet accuracy and efficiency needs of targeted applications. We develop a computational estimation approach called AutoDomainMine that integrates clustering and classification over complex scientific data in a framework so as to automate classical learning methods of scientists. Knowledge discovered thereby from a database of existing experiments serves as the basis for estimation. Challenges include preserving domain semantics in clustering, finding matching strategies in classification, striking a good balance between elaboration and conciseness while displaying estimation results based on needs of targeted users, and deriving objective measures to capture subjective user interests. These and other challenges are addressed in this work. The AutoDomainMine approach is used to build a computational estimation system, rigorously evaluated with real data in Materials Science. Our evaluation confirms that AutoDomainMine provides desired accuracy and efficiency in computational estimation. It is extendable to other science and engineering domains as proved by adaptation of its sub-processes within fields such as Bioinformatics and Nanotechnology.

Computer Science↗
DOE OSTI2015

Community-Scale Attic Retrofit and Home Energy Upgrade Data Mining

The U.S. Department of Energy’s Building America research team, Alliance for Residential Building Innovation (ARBI), implemented a project to increase residential retrofits in Davis, California. The project used a neighborhood-focused strategy for implementation and a low-cost retrofit program that focused on upgraded attic insulation and duct sealing. ARBI worked with a community partner, the not-for-profit Cool Davis Initiative, as well as selected area contractors to implement a strategy that sought to capitalize on the strong local expertise of partners and the unique aspects of the Davis, California, community. Working with community partners also allowed ARBI to collect and analyze data about effective messaging tactics for community-based retrofit programs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

A systematic analysis and data mining of opioid-related adverse events submitted to the FAERS database

The opioid epidemic has become a serious national crisis in the United States. An indepth systematic analysis of opioid-related adverse events (AEs) can clarify the risks presented by opioid exposure, as well as the individual risk profiles of specific opioid drugs and the potential relationships among the opioids. In this study, 92 opioids were identified from the list of all Food and Drug Administration (FDA)-approved drugs, annotated by RxNorm and were classified into 13 opioid groups: buprenorphine, codeine, dihydrocodeine, fentanyl, hydrocodone, hydromorphone, meperidine, methadone, morphine, oxycodone, oxymorphone, tapentadol, and tramadol. A total of 14,970,399 AE reports were retrieved and downloaded from the FDA Adverse Events Reporting System (FAERS) from 2004, Quarter 1 to 2020, Quarter 3. After data processing, Empirical Bayes Geometric Mean (EBGM) was then applied which identified 3317 pairs of potential risk signals within the 13 opioid groups. Based on these potential safety signals, a comparative analysis was pursued to provide a global overview of opioid-related AEs for all 13 groups of FDA-approved prescription opioids. The top 10 most reported AEs for each opioid class were then presented. Both network analysis and hierarchical clustering analysis were conducted to further explore the relationship between opioids. Results from the network analysis revealed a close association among fentanyl, oxycodone, hydrocodone, and hydromorphone, which shared more than 22 AEs. In addition, much less commonly reported AEs were shared among dihydrocodeine, meperidine, oxymorphone, and tapentadol. On the contrary, the hierarchical clustering analysis further categorized the 13 opioid classes into two groups by comparing the full profiles of presence/absence of AEs. The results of network analysis and hierarchical clustering analysis were not only consistent and cross-validated each other but also provided a better and deeper understanding of the associations and relationships between the 13 opioid groups with respect to their adverse effect profiles.

Research & Experimental Medicine↗
DOE OSTI2021

Data Mining for Faster, Interpretable Solutions to Inverse Problems:A Case Study Using Additive Manufacturing

Solving inverse problems, where we nd the input values that result in desired values of outputs, can be challenging. The solution process is often computationally expensive and it can be di cult to interpret the solution in high-dimensional input spaces. In this paper, we use a problem from additive manufacturing to address these two issues with the intent of making it easier to solve inverse problems and exploit their results. First, focusing on Gaussian process surrogates that are used to solve inverse problems, we describe how a simple modi cation to the idea of tapering can substantially speed up the surrogate without losing accuracy in prediction. Second, we demonstrate that Kohonen self-organizing maps can be used to visualize and interpret the solution to the inverse problem in the high-dimensional input space. For our data set, as not all input dimensions are equally important, we show that using weighted distances results in a better organized map that makes the relationships among the inputs obvious

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Community-Scale Attic Retrofit and Home Energy Upgrade Data Mining - Hot Dry Climate

Retrofitting is an essential element of any comprehensive strategy for improving residential energy efficiency. The residential retrofit market is still developing, and program managers must develop innovative strategies to increase uptake and promote economies of scale. Residential retrofitting remains a challenging proposition to sell to homeowners, because awareness levels are low and financial incentives are lacking. The U.S. Department of Energy's Building America research team, Alliance for Residential Building Innovation (ARBI), implemented a project to increase residential retrofits in Davis, California. The project used a neighborhood-focused strategy for implementation and a low-cost retrofit program that focused on upgraded attic insulation and duct sealing. ARBI worked with a community partner, the not-for-profit Cool Davis Initiative, as well as selected area contractors to implement a strategy that sought to capitalize on the strong local expertise of partners and the unique aspects of the Davis, California, community. Working with community partners also allowed ARBI to collect and analyze data about effective messaging tactics for community-based retrofit programs. ARBI expected this project, called Retrofit Your Attic, to achieve higher uptake than other retrofit projects, because it emphasized a low-cost, one-measure retrofit program. However, this was not the case. The program used a strategy that focused on attics-including air sealing, duct sealing, and attic insulation-as a low-cost entry for homeowners to complete home retrofits. The price was kept below $4,000 after incentives; both contractors in the program offered the same price. The program completed only five retrofits. Interestingly, none of those homeowners used the one-measure strategy. All five homeowners were concerned about cost, comfort, and energy savings and included additional measures in their retrofits. The low-cost, one-measure strategy did not increase the uptake among homeowners, even in a well-educated, affluent community such as Davis. This project has two primary components. One is to complete attic retrofits on a community scale in the hot-dry climate on Davis, CA. Sufficient data will be collected on these projects to include them in the BAFDR. Additionally, ARBI is working with contractors to obtain building and utility data from a large set of retrofit projects in CA (hot-dry). These projects are to be uploaded into the BAFDR.

affordable housing↗
DOE OSTI2014

Detecting Silent Data Corruption for Extreme-Scale Applications through Data Mining

Supercomputers allow scientists to study natural phenomena by means of computer simulations. Next-generation machines are expected to have more components and, at the same time, consume several times less energy per operation. These trends are pushing supercomputer construction to the limits of miniaturization and energy-saving strategies. Consequently, the number of soft errors is expected to increase dramatically in the coming years. While mechanisms are in place to correct or at least detect some soft errors, a significant percentage of those errors pass unnoticed by the hardware. Such silent errors are extremely damaging because they can make applications silently produce wrong results. In this work we propose a technique that leverages certain properties of high-performance computing applications in order to detect silent errors at the application level. Our technique detects corruption solely based on the behavior of the application datasets and is completely application-agnostic. We propose multiple corruption detectors, and we couple them to work together in a fashion transparent to the user. We demonstrate that this strategy can detect the majority of the corruptions, while incurring negligible overhead. We show that with the help of these detectors, applications can have up to 80% of coverage against data corruption.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Data Mining – Image Analysis of Radiography for Zr Redistribution

The research effort described in this report represents a first attempt to investigate the radial redistribution of Zr in ternary fuel alloys U-xPu-10Zr (x = 0, 8, 19) irradiated in the in-reactor fuel experiments during the operation of the U.S. Department of Energy’s (DOE’s) Experimental Breeder Reactor II (EBR-II) at Idaho National Laboratory (INL) using methods of image processing on post-irradiation neutron radiographs. Approximately 130,000 metal fuel pins were irradiated in EBR-II during its 30 years of operation to develop and characterize existing and prospective fuels. For many of the metal fuel irradiation experiments, neutron radiography imaging was performed historically now allowing application of modern image analysis techniques to characterize fuel behavior, such as fuel swelling, fluff formation, and now, fuel alloy constituent redistribution. The redistribution of fuel components depends on the temperature field, radially, within the fuel. Specifically, Zr is expected to redistribute radially towards the center of the pin, as well as towards the outer zones. Currently, direct imaging of a pin cross-section through optical methods or scanning electron microscopy (SEM) is used to study the constituents’ redistribution, which is very time-consuming and can only be applied to a limited number of pins. An automated image processing technique allowing for the investigation of fuel radial redistribution zones would significantly accelerate data analysis. In general, if the fuel temperature is hot enough, three redistribution zones are expected, corresponding to the main fuel components (e.g., U, Pu, Zr). While more assessment will be performed in fiscal year (FY)-2023, it seems possible to differentiate the pins according to their fuel composition using image analysis techniques on neutron radiographs of metallic fuel pins based on the analysis to date.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Data mining and computational screening of Rashba-Dresselhaus splitting and optoelectronic properties in two-dimensional perovskite materials

Recent developments highlighting the promise of two-dimensional perovskites have vastly increased the compositional search space in the perovskite family. This presents a great opportunity for the realization of highly performant devices and practical challenges associated with the identification of candidate materials. High-fidelity computational screening offers great value in this regard. In this study, we carry out a multiscale computational workflow, generating a dataset of two-dimensional perovskites in the Dion-Jacobson and Ruddlesden-Popper phases. Our dataset comprises ten B-site cations, four halogens, and over 20 organic cations across over 2000 materials. We compute electronic properties, thermoelectric performance, and numerous geometric characteristics. Furthermore, we introduce a framework for the high-throughput computation of Rashba-Dresselhaus splitting. Finally, we use this dataset to train machine learning models for the accurate prediction of band gaps, candidate Rashba-Dresselhaus materials, and partial charges. The work presented herein can aid future investigations of two-dimensional perovskites with targeted applications in mind.

14 SOLAR ENERGY↗