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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 37 records · Page 2

Mining G.O.L.D. (Geothermal Opportunities Leveraged Through Data): Exploring Synergies Between the Geothermal and Mining Industries

This report analyzes potential collaborations between the geothermal and locatable mineral industries (focused on the portion of the Basin and Range Province within Nevada, United States of America). The objectives of this study included analyzing: 1. The type and quality of data collected by the locatable mineral industry to determine feasibility for geothermal resource exploration; 2. The regulatory pathways and potential barriers that could prevent development of geothermal resources discovered via a mining claim (and vice versa) in the United States; 3. The historical development of geothermal resources discovered via mineral exploration data in the United States and illustrations of co-located mining and geothermal power projects; 4. The value propositions for both the locatable mineral and the geothermal industries to collaborate. This article concludes that many of the data collected by the mining industry as part of locatable mineral exploration (e.g., copper, gold, lithium) would also be useful for identifying and developing previously unknown geothermal resources (and in some notable cases, already have led to geothermal resource development). In addition, for minimal costs, the mining industry could catalogue these data and potentially monetize the data itself or use the data in the future to develop a geothermal project. Leveraging these locatable mineral data to develop geothermal resources and/or co-located minerals and geothermal resources would represent significant cost savings when compared to developing geothermal resources under a business-as-usual scenario as well as compared to current generating technologies (e.g., diesel-powered generators) employed at remote mining operations. Ultimately, leveraging mining industry data, knowledge, and expertise serves to effectively expand the geothermal exploration workforce, increase the rate of geothermal resource discovery, and potentially reduce geothermal electricity's levelized cost of energy (LCOE) by 23%-29%.

15 GEOTHERMAL ENERGY↗

Redesigning the DOE Data Explorer to embed dataset relationships at the point of search and to reflect landing page organization

Scientific research is producing ever-increasing amounts of data. Organizing and reflecting relationships across data collections, datasets, publications, and other research objects are essential functionalities of the modern science environment, yet challenging to implement. Landing pages are often used for providing ‘big picture’ contextual frameworks for datasets and data collections, and many large-volume data holders are utilizing them in thoughtful, creative ways. The benefits of their organizational efforts, however, are not realized unless the user eventually sees the landing page at the end point of their search. What if that organization and ‘big picture’ context could benefit the user at the beginning of the search? That is a challenging approach, but The Department of Energy’s (DOE) Office of Scientific and Technical Information (OSTI) is redesigning the database functionality of the DOE Data Explorer (DDE) with that goal in mind. Phase I is focused on redesigning the DDE database to leverage relationships between two existing distinct populations in DDE, data Projects and individual Datasets, and then adding a third intermediate population, data Collections. Mapped, structured linkages, designed to show user relationships, will allow users to make informed search choices. These linkages will be sustainable and scalable, created automatically with the use of new metadata fields and existing authorities. Phase II will study selected DOE Data ID Service clients, analyzing how their landing pages are organized, and how that organization might be used to improve DDE search capabilities. At the heart of both phases is the realization that adding more metadata information for cross-referencing may require additional effort for data scientists. Finally, OSTI’s approach seeks to leverage existing metadata and landing page intelligence without imposing an additional burden on the data creators.

97 MATHEMATICS AND COMPUTING↗

NeuralCubes: Deep Representations for Visual Data Exploration

Visual exploration of large multi-dimensional datasets has seen tremendous progress in recent years, allowing users to express rich data queries that produce informative visual summaries, all in real time. Techniques based on data cubes are some of the most promising approaches. However, these techniques usually require a large memory footprint for large datasets. To tackle this problem, we present NeuralCubes: neural networks that predict results for aggregate queries, similar to data cubes. NeuralCubes learns a function that takes as input a given query, for instance, a geographic region and temporal interval, and outputs the result of the query. The learned function serves as a real-time, low-memory approximator for aggregation queries. Our models are small enough to be sent to the client side (e.g. the web browser for a web-based application) for evaluation, enabling data exploration of large datasets without database/network connection. Here, we demonstrate the effectiveness of NeuralCubes through extensive experiments on a variety of datasets and discuss how NeuralCubes opens up opportunities for new types of visualization and interaction.

97 MATHEMATICS AND COMPUTING↗

Utilizing Novel Field and Data Exploration Methods to Explore Hot Moments in High-Frequency Soil Nitrous Oxide Emissions Data: Opportunities and Challenges

Soil nitrous oxide (N 2 O) emissions are an important driver of climate change and are a major mechanism of labile nitrogen (N) loss from terrestrial ecosystems. Evidence increasingly suggests that locations on the landscape that experience biogeochemical fluxes disproportionate to the surrounding matrix (hot spots) and time periods that show disproportionately high fluxes relative to the background (hot moments) strongly influence landscape-scale soil N 2 O emissions. However, substantial uncertainties remain regarding how to measure and model where and when these extreme soil N 2 O fluxes occur. High-frequency datasets of soil N 2 O fluxes are newly possible due to advancements in field-ready instrumentation that uses cavity ring-down spectroscopy (CRDS). Here, we outline the opportunities and challenges that are provided by the deployment of this field-based instrumentation and the collection of high-frequency soil N 2 O flux datasets. While there are substantial challenges associated with automated CRDS systems, there are also opportunities to utilize these near-continuous data to constrain our understanding of dynamics of the terrestrial N cycle across space and time. Finally, we propose future research directions exploring the influence of hot moments of N 2 O emissions on the N cycle, particularly considering the gaps surrounding how global change forces are likely to alter N dynamics in the future.

54 ENVIRONMENTAL SCIENCES↗

Web-based visual data exploration for improved radiological source detection

Radiation detection can provide a reliable means of detecting radiological material. Such capabilities can help to prevent nuclear and/or radiological attacks, but reliable detection in uncontrolled surroundings requires algorithms that account for environmental background radiation. The Berkeley Data Cloud (BDC) facilitates the development of such methods by providing a framework to capture, store, analyze, and share data sets. In the era of big data, both the size and variety of data make it difficult to explore and find data sets of interest and manage the data. Thus, in the context of big data, visualization is critical for checking data consistency and validity, identifying gaps in data coverage, searching for data relevant to an analyst's use cases, and choosing input parameters for analysis. Downloading the data and exploring it on an analyst's desktop using traditional tools are no longer feasible due to the size of the data. This study describes the design and implementation of a visualization system that addresses the problems associated with data exploration within the context of the BDC. Finally, the visualization system is based on a JavaScript front end communicating via REST with a back end web server.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Multivariate Data EXplorer (MDX)

The MDX toolkit facilitates exploratory data analysis and visualization of multivariate datasets. MDX provides and interactive graphical user interface to load, explore, and modify multivariate datasets stored in tabular forms. MDX uses an extended version of the parallel coordinates plot and scatterplots to represent the data. The user can perform rapid visual queries using mouse gestures in the visualization panels to select rows or columns of interest. The visualization panel provides coordinated multiple views whereby selections made in one plot are propagated to the other plots. Users can also export selected data or reconfigure the visualization panel to explore relationships between columns and rows in the data.

Steed, Chad Allen↗

Statistical projections for multi-dimensional visual data exploration

When working with large, multidimensional and multivariate data, science users are frequently interested in understanding variation in data, as opposed to the actual data values. Our work focuses on exploring how a simple statistical metric, the Coefficient of Variation (or Cv), can be used in several different ways to facilitate understanding variation in large data. As a statistical measure, it offers a key advantage over more widely accepted measures like standard deviation, namely to its ability to capture local variation properties. As a multidimensional projection operator, Cv is an effective way of reducing data size while preserving the key variational signal. Visualizations produced from Cv that target conveying variation in data are highly informative, especially compared to those produced with more widely known methods. We demonstrate these ideas within the context of a two-part application case study focusing on understanding long-Term trends in the the changes in precipitation and winds in large-scale climate model ensemble output.

Nguyen, H↗

Faraday: A High-temperature Electrolysis Data Explorer

Faraday is a high-temperature electrolysis data visualization tool, which reveals the performance of various button cells under test conditions. These tests and the resulting analytics on their data constitute a state of the industry as the US Department of Energy pushes for the production of hydrogen. Faraday leverages the Idaho National Laboratory's DeepLynx data warehouse to standardize and query button cell data. Faraday programmatically accesses this data in DeepLynx by traversing the schema, represented by a custom ontology. The user interface queries DeepLynx for timeseries data associated with specific button cells in the warehouse, and renders them using JavaScript charts. Additional charting and data analysis techniques are made possible by an auxiliary Python server.

Woodruff, Nathan↗

Analysis of Selected Publicly Available Geothermal Exploration Data Gaps

As part of a United States Department of Energy (DOE) supported retrospective analysis of DOE's Play Fairway Analysis (PFA) projects, the National Renewable Energy Laboratory (NREL) compiled and analyzed publicly available geothermal exploration datasets to identify and highlight data gaps in areas prospective for hosting geothermal resources. The analysis was intended to understand the existing geographic coverage of selected datasets commonly utilized both by the PFA projects and geothermal developers during resource assessments including geologic mapping, temperature gradient drilling, and aeromagnetic, gravimetric, and lidar surveys. Results indicate that broad areas of the western United States estimated to have geothermal potential lack sufficient geologic and geophysical coverage necessary for even regional resource exploration. The study directly informed the recent Geoscience Data Acquisition for Western Nevada, or GeoDAWN - which united DOE's Geothermal Technologies Office (GTO) with the U.S. Geological Survey (USGS) of the U.S. Department of the Interior to assist U.S. needs for energy and critical minerals. The study also has the potential to inform public investment in further data acquisition for characterization of the Earth both for geothermal and other natural resource assessments.

data↗

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration

Abstract With the goal of accelerating the design and discovery of metal–organic frameworks (MOFs) for electronic, optoelectronic, and energy storage applications, we present a dataset of predicted electronic structure properties for thousands of MOFs carried out using multiple density functional approximations. Compared to more accurate hybrid functionals, we find that the widely used PBE generalized gradient approximation (GGA) functional severely underpredicts MOF band gaps in a largely systematic manner for semi-conductors and insulators without magnetic character. However, an even larger and less predictable disparity in the band gap prediction is present for MOFs with open-shell 3 d transition metal cations. With regards to partial atomic charges, we find that different density functional approximations predict similar charges overall, although hybrid functionals tend to shift electron density away from the metal centers and onto the ligand environments compared to the GGA point of reference. Much more significant differences in partial atomic charges are observed when comparing different charge partitioning schemes. We conclude by using the dataset of computed MOF properties to train machine-learning models that can rapidly predict MOF band gaps for all four density functional approximations considered in this work, paving the way for future high-throughput screening studies. To encourage exploration and reuse of the theoretical calculations presented in this work, the curated data is made publicly available via an interactive and user-friendly web application on the Materials Project.

36 MATERIALS SCIENCE↗

Volumetric Data Exploration with Machine Learning-Aided Visualization in Neutron Science

Recent advancements in neutron and X-ray sources, instrumentation and data collection modes have significantly increased the experimental data size (which could easily contain 108–1010 data points), so that conventional volumetric visualization approaches become inefficient for both still imaging and interactive OpenGL rendition in a 3D setting. We introduce a new approach based on the unsupervised machine learning algorithm, Density-Based Spatial Clustering of Applications with Noise (DBSCAN), to efficiently analyze and visualize large volumetric datasets. Here we present two examples of analyzing and visualizing datasets from the diffuse scattering experiment of a single crystal sample and the tomographic reconstruction of a neutron scanning of a turbine blade. We found that by using the intensity as the weighting factor in the clustering process, DBSCAN becomes very effective in de-noising and feature/boundary detection, and thus enables better visualization of the hierarchical internal structures of the neutron scattering data.

Hui, Yawei↗

Statistical Projections for Multi-resolution, Multi-dimensional Visual Data Exploration and Analysis

An ongoing challenge in visual exploration and analysis of large, multi-dimensional datasets is how to present useful, concise information to a user for some specific visualization tasks. Typical approaches to this problem have proposed either reduced-resolution versions of data, or projections of data, or both. These approaches still have some limitations such as consuming high computation or suffering from errors. In this work, we explore the use of a statistical metric as the basis for both projections and reduced-resolution versions of data, with a particular focus on preserving one key trait in data, namely variation. We use two different case studies to explore this idea, one that uses a synthetic dataset, and another that uses a large ensemble collection produced by an atmospheric modeling code to study long-term changes in global precipitation. The primary findings of our work are that in terms of preserving the variation signal inherent in data, that using a statistical measure more faithfully preserves this key characteristic across both multi-dimensional projections and multi-resolution representations than a methodology based upon averaging.

54 ENVIRONMENTAL SCIENCES↗

Open Humans: A platform for participant-centered research and personal data exploration

Background: Many aspects of our lives are now digitized and connected to the internet. As a result, individuals are now creating and collecting more personal data than ever before. This offers an unprecedented chance for human-participant research ranging from the social sciences to precision medicine. With this potential wealth of data comes practical problems (e.g., how to merge data streams from various sources), as well as ethical problems (e.g., how best to balance risks and benefits when enabling personal data sharing by individuals). Results: To begin to address these problems in real time, we present Open Humans, a community-based platform that enables personal data collections across data streams, giving individuals more personal data access and control of sharing authorizations, and enabling academic research as well as patient-led projects. We showcase data streams that Open Humans combines (e.g., personal genetic data, wearable activity monitors, GPS location records, and continuous glucose monitor data), along with use cases of how the data facilitate various projects. Conclusions: Open Humans highlights how a community-centric ecosystem can be used to aggregate personal data from various sources, as well as how these data can be used by academic and citizen scientists through practical, iterative approaches to sharing that strive to balance considerations with participant autonomy, inclusion, and privacy.

59 BASIC BIOLOGICAL SCIENCES↗

Characterizing Signatures of Geothermal Exploration Data with Machine Learning Techniques: An Application to the Nevada Play Fairway Analysis

We are introducing machine learning methods to the play fairway analysis to generate geothermal potential maps to support the evaluation of geothermal resource potential and the exploration for undiscovered blind geothermal systems in the Nevada Great Basin region. Our project aims to identify new ways to combine the play fairway data and empirically organize relationships between feature weights and labels in an improved workflow. As a means of doing this, we introduce machine learning methods to evaluate the influence of certain geological and geophysical features/feature sets in predicting geothermal favorability. This report highlights promising approaches based on supervised and unsupervised learning methods. First, we demonstrate a filter method applied to supervised classification modeling. The supervised filter method is based on permutation analysis to evaluate every possible feature combination/drop out scenario and rank feature influence based on the performance variance of supervised classification models. Additionally, we present an unsupervised factor analysis based on principal component analysis coupled with a semi-supervised kmeans clustering algorithm. This analysis allows us to identify the optimal number of groups/clusters for training sites and structural settings to identify feature patterns including correlation, variance, and latent and dominant feature relationships. The results from these methods offer a promising avenue for identifying favorable sources of predictive information to identify the locations of blind geothermal systems and furthering our understanding of complex geothermal feature and label relationships in the Great Basin region and beyond.

15 GEOTHERMAL ENERGY↗

PARLO: PArallel Run-Time Layout Optimization for Scientific Data Explorations with Heterogeneous Access Patterns

The size and scope of cutting-edge scientific simulations are growing much faster than the I/O and storage capabilities of their run-time environments. The growing gap is exacerbated by exploratory, data-intensive analytics, such as querying simulation data with multivariate, spatio-temporal constraints, which induces heterogeneous access patterns that stress the performance of the underlying storage system. Previous work addresses data layout and indexing techniques to improve query performance for a single access pattern, which is not sufficient for complex analytics jobs. We present PARLO a parallel run-time layout optimization framework, to achieve multi-level data layout optimization for scientific applications at run-time before data is written to storage. The layout schemes optimize for heterogeneous access patterns with user-specified priorities. PARLO is integrated with ADIOS, a high-performance parallel I/O middleware for large-scale HPC applications, to achieve user-transparent, light-weight layout optimization for scientific datasets. It offers simple XML-based configuration for users to achieve flexible layout optimization without the need to modify or recompile application codes. Experiments show that PARLO improves performance by 2 to 26 times for queries with heterogeneous access patterns compared to state-of-the-art scientific database management systems. Compared to traditional post-processing approaches, its underlying run-time layout optimization achieves a 56% savings in processing time and a reduction in storage overhead of up to 50%. PARLO also exhibits a low run-time resource requirement, while also limiting the performance impact on running applications to a reasonable level.

Computer Science↗

Legacy Metal Fuel Data Exploration for Commercial Scale-Up

This work was based DOE-NE GAIN small buisness voucher award to Argonne. Argonne has started the CRADA activities with discussing information regarding Oklo's specific fast reactor design, and established the key fuel design data needs to support Oklo's licensing related activities. It was established that Oklo's design utilizes metallic fuel, and that their data needs are focused on data relevant to the fuel system irradiations at EBR-II to specific fuel burnup range.. Those data were part of the existing metallic fuel irradiation database available at Argonne.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PARLO: PArallel Run-Time Layout Optimization for Scientific Data Explorations with Heterogeneous Access Pattern

Download Citation Email Print Request Permissions Save to Project The size and scope of cutting-edge scientific simulations are growing much faster than the I/O and storage capabilities of their run-time environments. The growing gap is exacerbated by exploratory, data-intensive analytics, such as querying simulation data with multivariate, spatio-temporal constraints, which induces heterogeneous access patterns that stress the performance of the underlying storage system. Previous work addresses data layout and indexing techniques to improve query performance for a single access pattern, which is not sufficient for complex analytics jobs. We present PARLO a parallel run-time layout optimization framework, to achieve multi-level data layout optimization for scientific applications at run-time before data is written to storage. The layout schemes optimize for heterogeneous access patterns with user-specified priorities. PARLO is integrated with ADIOS, a high-performance parallel I/O middleware for large-scale HPC applications, to achieve user-transparent, light-weight layout optimization for scientific datasets. It offers simple XML-based configuration for users to achieve flexible layout optimization without the need to modify or recompile application codes. Experiments show that PARLO improves performance by 2 to 26 times for queries with heterogeneous access patterns compared to state-of-the-art scientific database management systems. Compared to traditional post-processing approaches, its underlying run-time layout optimization achieves a 56% savings in processing time and a reduction in storage overhead of up to 50%. PARLO also exhibits a low run-time resource requirement, while also limiting the performance impact on running applications to a reasonable level.

Gong, Zhenhuan↗