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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Fast Decomposition of Three-Component Spectra of Fluorescence Quenching by White and Grey Methods of Data Modeling

‘White’ and ‘grey’ methods of data modeling have been employed to resolve the heterogeneous fluorescence from a fluorophore mixture of 9-cyanoanthracene (CNA), 10-chloro-9-cyanoanthracene (ClCNA) and 9,10-dicyanoanthracene (DCNA) into component individual fluorescence spectra. The three-component spectra of fluorescence quenching in methanol were recorded for increasing amounts of lithium bromide used as a quencher. The associated intensity decay profiles of differentially quenched fluorescence of single components were modeled on the basis of a linear Stern-Volmer plot. These profiles are necessary to initiate the fitting procedure in both ‘white’ and ‘grey’ modeling of the original data matrices. ‘White’ methods of data modeling, called also ‘hard’ methods, are based on chemical/physical laws expressed in terms of some well-known or generally accepted mathematical equations. The parameters of these models are not known and they are estimated by least squares curve fitting. ‘Grey’ approaches to data modeling, also known as hard-soft modeling techniques, make use of both hard-model and soft-model parts. In practice, the difference between ‘white’ and ‘grey’ methods lies in the way in which the ‘crude’ fluorescence intensity decays of the mixture components are estimated. In the former case they are given in a functional form while in the latter as digitized curves which, in general, can only be obtained by using dedicated techniques of factor analysis. In the paper, the initial values of the Stern-Volmer constants of pure components were evaluated by both ‘point-by-point’ and ‘matrix’ versions of the method making use of the concept of wavelength dependent intensity fractions as well as by the rank annihilation factor analysis applied to the data matrices of the difference fluorescence spectra constructed in two ways: from the spectra recorded for a few excitation lines at the same concentration of a fluorescence quencher or classically from a series of the spectra measured for one selected excitation line but for increasing concentration of the quencher. The results of multiple curve resolution obtained by all types of the applied methods have been scrutinized and compared. In addition, the effect of inadequacy of sample preparation and increasing instrumental noise on the shape of the resolved spectral profiles has been studied on several datasets mimicking the measured data matrices. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

ESS-DIVE guidelines for archiving terrestrial model data

This dataset contains supporting documents and images for ESS-DIVE terrestrial model data archiving guidelines.Terrestrial models are broadly defined as numerical models that couple both land dynamics and energy, water, carbon, or nutrient fluxes. We created these guidelines based on input from the U.S. Department of Energy’s Biological and Environmental Research land modeling community. The guidelines are intended to help modelers determine which components of their terrestrial model data associated with publication should be archived. Based on input from the land modeling community, the guidelines recommend archiving both model input and testing data, as well as code, script, and metadata. The guidelines also recommend archiving model data output, depending on the limitations set by data repositories. Lastly, we provide recommendations for bundling data files for publication as well as a discussion about tools that can facilitate model data archiving and reuse.This dataset is an archive of the associated GitHub repository for our model archiving guidelines (https://github.com/ess-dive-community/essdive-model-data-archiving-guidelines). The ‘README.pdf’ file gives a general introduction to the guidelines, and the ‘instructions.pdf’ file provides more detailed steps for following the guidelines. We also provide 2 figures in this data package: 1) a decision tree (model_data_guidelines_decision_tree.png) that can help users determine which components of their model data to archive. and 2) the ‘model_data_guidelines_flmd.png’ file depicts the different files that can be archived in addition to the model data itself. Lastly, we include 3 digitized tables from our associated manuscript and 3 CSV files with anonymized input from DOE scientists about the importance of different aspects of model data archiving from which we developed the guidelines.Dataset updates for v1.1.0: We updated this data package on 2021-11-22 in response to review comments on our related manuscript. In this update we removed one figure so that the model archiving guidelines are conveyed in text rather than an image. We updated the file-level metadata (FLMD) figure to be in accord with the most recent FLMD recommendations. We made minor edits to the README file to update the recommended citation and added two co-authors. We also added 6 new data files (3 are anonymized input from DOE scientists that helped to inform guidelines, and 3 are digitized tables from our manuscript.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Harnessing expert knowledge: Defining a Bayesian network decision model with limited data-Model structure for the vibration qualification problem

As systems become more complex, systems engineers rely on experts to inform decisions. There are few experts and limited data in many complex new technologies. This challenges systems engineers as they strive to plan activities such as qualification in an environment where technical constraints are coupled with the traditional cost, risk, and schedule constraints. Bayesian network (BN) models provide a framework to aid systems engineers in planning qualification efforts with complex constraints by harnessing expert knowledge and incorporating technical factors. By quantifying causal factors, a BN model can provide data about the risk of implementing a decision supplemented with information on driving factors. This allows a systems engineer to make informed decisions and examine “what-if” scenarios. This paper discusses a novel process developed to define a BN model structure based primarily on expert knowledge supplemented with extremely limited data (25 data sets or less). The model was developed to aid qualification decisions—specifically to predict the suitability of six degrees of freedom (6DOF) vibration testing for qualification. The process defined the model structure with expert knowledge in an unbiased manner. Finally, validation during the process execution and of the model provided evidence the process may be an effective tool in harnessing expert knowledge for a BN model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Machine Learning for Gearbox Fault Prediction by Using Both Scada and Modeled Data

This presentation outlines the work in the paper titled "Prognostics of Wind Turbine Gearbox Bearing Failures Using SCADA and Modeled Data" published by the PHM Society and presented at its 2020 annual conference. It is accessible at https://papers.phmsociety.org/index.php/phmconf/article/download/1292/862. The technical work is on machine learning approaches for prognostics for gearbox faults. The methodology combines SCADA time series data and physics domain modeling data, derived from the models developed by the NREL team, as inputs to machine learning models to predict gearbox bearing failures with one month lead time. Based on SCADA data, modeled data, and bearing failure log data from an actual wind plant, the performances of different machine-learning models on unseen data are then evaluated using industry-standard metrics such as precision, recall, and F1 score, and AUC (area under receiver operating characteristic curve). Results show the overall system performance enhancement in predicting bearing failure when modeled data are included with SCADA data. The reduction in terms of false alarms is about 50%, and improvement in terms of precision, and F1 score, and AUC is about 33%, and 12%, and 6% respectively, based on the best modeling case in this study.

49 EE - Wind and Water Power Program - Wind (EE-4W↗
DOE OSTI2021

Small Scale WEC Performance Modeling Data

Small Scale WEC Performance Modeling Data is performance data from downscaled models of common WEC devices and their calculated performance outputs. This data is used by the Small WEC interactive modeling tool hosted by PRIMRE. The devices include a point absorber, a two-body point absorber (RM3), an oscillating surge device (OSWEC), and an attenuator type device (McCabe Wave Pump). One of the primary use cases for this work is to give an easy way to compare power output for a variety of WECs and model sizes.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

Damsel: A Data Model Storage Library for Exascale Science

Computational science applications have been described as having one of seven motifs (the “seven dwarfs”), each having a particular pattern of computation and communication. From a storage and I/O perspective, these applications can also be grouped into a number of data model motifs describing the way data is organized and accessed during simulation, analysis, and visualization. Major storage data models developed in the 1990s, such as Network Common Data Format (netCDF) and Hierarchical Data Format (HDF) projects, created support for more complex data models. Development of both netCDF and HDF5 was influenced by multi-dimensional dataset storage requirements, but their access models and formats were designed with sequential storage in mind (e.g., a POSIX I/O model). Although these and other high-level I/O libraries have had a beneficial impact on large parallel applications, they do not always attain a high percentage of peak I/O performance due to fundamental design limitations, and they do not address the full range of current and future computational science data models. The goal of this project is to enable exascale computational science applications to interact conveniently and efficiently with storage through abstractions that match their data models. The project consists of three major activities: (1) identifying major data model motifs in computational science applications and developing representative benchmarks; (2) developing a data model storage library, called Damsel, that supports these motifs, provides efficient storage data layouts, incorporates optimizations to enable exascale operation, and is tolerant to failures; and (3) productizing Damsel and working with computational scientists to encourage adoption of this library by the scientific community. The product of this project, Damsel library, is openly available for download from http://cucis.ece.northwestern.edu/projects/DAMSEL. Several case studies and application programming interface reference are also available to assist new users to learn to use the library.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Raft River Geothermal Area Logical and Fact Data Models

This submission includes fact and logical data models for geothermal data concerning wells, fields, power plants and related analyses at Raft River, ID. The fact model is available in VizioModeler (native), html, UML, ORM-Specific, pdf, and as an XML Spy Project. An entity-relationship diagram is also included. Models are derived from tables, figures and other content in the following reports from the Raft River Geothermal Project: "Technical Report on the Raft River Geothermal Resource, Cassia County, Idaho," GeothermEx, Inc., August 2002. "Results from the Short-Term Well Testing Program at the Raft River Geothermal Field, Cassia County, Idaho," GeothermEx, Inc., October 2004.

15 GEOTHERMAL ENERGY↗
DOE OSTI2011

Scenario driven data modelling: a method for integrating diverse sources of data and data streams

Background: Biology is rapidly becoming a data intensive, data-driven science. It is essential that data is represented and connected in ways that best represent its full conceptual content and allows both automated integration and data driven decision-making. Recent advancements in distributed multi-relational directed graphs, implemented in the form of the Semantic Web make it possible to deal with complicated heterogeneous data in new and interesting ways. Results: This paper presents a new approach, scenario driven data modelling (SDDM), that integrates multirelational directed graphs with data streams. SDDM can be applied to virtually any data integration challenge with widely divergent types of data and data streams. In this work, we explored integrating genetics data with reports from traditional media. SDDM was applied to the New Delhi metallo-beta-lactamase gene (NDM-1), an emerging global health threat. The SDDM process constructed a scenario, created a RDF multi-relational directed graph that linked diverse types of data to the Semantic Web, implemented RDF conversion tools (RDFizers) to bring content into the Sematic Web, identified data streams and analytical routines to analyse those streams, and identified user requirements and graph traversals to meet end-user requirements. Conclusions: We provided an example where SDDM was applied to a complex data integration challenge. The process created a model of the emerging NDM-1 health threat, identified and filled gaps in that model, and constructed reliable software that monitored data streams based on the scenario derived multi-relational directed graph. The SDDM process significantly reduced the software requirements phase by letting the scenario and resulting multi-relational directed graph define what is possible and then set the scope of the user requirements. Approaches like SDDM will be critical to the future of data intensive, data-driven science because they automate the process of converting massive data streams into usable knowledge.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Prognosis of Wind Turbine Gearbox Bearing Failures Using SCADA and Modeled Data

Predictive maintenance and condition monitoring systems for wind turbines have seen increased adoption to minimize downtime, reducing operation and maintenance costs. On today’s wind power plants, the integrated supervisory control and data acquisition (SCADA) system provides low- frequency operational data that can be leveraged to quantify a wind turbine’s health. The aim of this study is to utilize machine-learning techniques to predict axial cracking failures in wind turbine gearbox bearings up to 1 month ahead of time. The failures are assumed to have occurred when the investigated bearing was replaced. While current SCADA systems show the overall condition of a wind turbine, often they do not allow for the investigation of specific gearbox bearings’ health. To enrich bearing fault signatures, additional data are computed through physics-based models using gearbox design information. Based on SCADA data, modeled data, and bearing failure log data from an actual wind plant, the performances of different machine-learning models on unseen data are then evaluated using industry-standard metrics such as precision, recall, and F1 score. Results show the overall system performance enhancement in predicting bearing failure when modeled data are included with SCADA data. The reduction in terms of false alarms is about 50%, and improvement in terms of precision and F1 score is about 33% and 12% respectively, based on the best modeling case in this study.

49 EE - Wind and Water Power Program - Wind (EE-4W↗
DOE OSTI2011

Scenario Driven Data Modelling: A Method for Integrating Diverse Sources of Data and Data Streams

Background Biology is rapidly becoming a data intensive, data-driven science. It is essential that data is represented and connected in ways that best represent its full conceptual content and allows both automated integration and data driven decision-making. Recent advancements in distributed multi-relational directed graphs, implemented in the form of the Semantic Web make it possible to deal with complicated heterogeneous data in new and interesting ways. Results This paper presents a new approach, scenario driven data modelling (SDDM), that integrates multi-relational directed graphs with data streams. SDDM can be applied to virtually any data integration challenge with widely divergent types of data and data streams. In this work, we explored integrating genetics data with reports from traditional media. SDDM was applied to the New Delhi metallo-beta-lactamase gene (NDM-1), an emerging global health threat. The SDDM process constructed a scenario, created a RDF multi-relational directed graph that linked diverse types of data to the Semantic Web, implemented RDF conversion tools (RDFizers) to bring content into the Sematic Web, identified data streams and analytical routines to analyse those streams, and identified user requirements and graph traversals to meet end-user requirements. Conclusions We provided an example where SDDM was applied to a complex data integration challenge. The process created a model of the emerging NDM-1 health threat, identified and filled gaps in that model, and constructed reliable software that monitored data streams based on the scenario derived multi-relational directed graph. The SDDM process significantly reduced the software requirements phase by letting the scenario and resulting multi-relational directed graph define what is possible and then set the scope of the user requirements. Approaches like SDDM will be critical to the future of data intensive, data-driven science because they automate the process of converting massive data streams into usable knowledge.

Griffith, Shelton D↗
DOE OSTI2023

A generalized approach to x-ray data modeling for high-energy-density plasma experiments

Accurate understanding of x-ray diagnostics is crucial for both interpreting high-energy-density experiments and testing simulations through quantitative comparisons. X-ray diagnostic models are complex. Past treatments of individual x-ray diagnostics on a case-by-case basis have hindered universal diagnostic understanding. Here, in this study, we derive a general formula for modeling the absolute response of non-focusing x-ray diagnostics, such as x-ray imagers, one-dimensional space-resolved spectrometers, and x-ray power diagnostics. The present model is useful for both data modeling and data processing. It naturally accounts for the x-ray crystal broadening. The new model verifies that standard approaches for a crystal response can be good approximations, but they can underestimate the total reflectivity and overestimate spectral resolving power by more than a factor of 2 in some cases near reflectivity edge features. We also find that a frequently used, simplified-crystal-response approximation for processing spectral data can introduce an absolute error of more than an order of magnitude and the relative spectral radiance error of a factor of 3. The present model is derived with straightforward geometric arguments. It is more general and is recommended for developing a unified picture and providing consistent treatment over multiple x-ray diagnostics. Such consistency is crucial for reliable multi-objective data analyses.

Nagayama, Taisuke↗
DOE OSTI2011

Simulating the Impacts of Disturbances on Forest Carbon Cycling in North America: Processes, Data, Models, and Challenges

Disturbances disrupt the forest structures and alter forest resources, substrate availability, or the physical environment. Understanding disturbances and their impacts is critical for a better quantification of North American carbon dynamics. We reviewed the status and major challenges in simulating the impacts of disturbances on forest carbon cycling in North America from the perspectives of process understanding, disturbance characterization, and modeling, and found some major issues. First, we do not have adequate continentally-consistent disturbance databases to support the NACP missions. Community effort, in collaborating with the modeling community, should be designated to systematically define international standards for disturbance databases with explicit inclusion of uncertainty measurements, adequate spatial and temporal resolutions, and explicit and quantifiable linkages with model simulations. Second, there is a need to develop effective and comprehensive process-based procedures or algorithms that can be used to quantify the immediate and long-term impacts of disturbances on forest succession, soils, microclimate, and cycles of carbon, water, and nutrients. These algorithms should be evaluated not only on the carbon cycle but also on the simulations of vegetation succession, alterations of soil and microclimate, and water and nutrients dynamics because adequate simulations of carbon dynamics rely on the correct quantification of the changes of soil and vegetation conditions. Third, the scaling challenges have rarely been addressed at the continental scale. We do not understand which processes and properties at a given temporal or spatial scales are critical while others can be simplified when we try to balance the North American carbon budget. Previous and current model simulations at the continental scale did not incorporate a full suite of disturbances information (because they do not exist as described above), and therefore provided little insight on the relative importance of various disturbances at the continent and regional scales on the carbon cycle. Fourth, our capability of simulating the occurrences and severity of disturbances under climate change and management futures are very limited. Fifth, uncertainty exists in every step of the effort to simulating the impacts of disturbances on carbon dynamics. Procedures are needed to quantify the uncertainty of model inputs or data layers, model parameters, and model structures, and their impacts on model simulations. Working together, modelers and data layer developers can identify the most uncertain areas and develop working hypotheses to reduce the uncertainty.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

A data model of the Climate and Forecast metadata conventions (CF-1.6) with a software implementation (cf-python v2.1)

Abstract. The CF (Climate and Forecast) metadata conventions are designed to promote the creation, processing, and sharing of climate and forecasting data using Network Common Data Form (netCDF) files and libraries. The CF conventions provide a description of the physical meaning of data and of their spatial and temporal properties, but they depend on the netCDF file encoding which can currently only be fully understood and interpreted by someone familiar with the rules and relationships specified in the conventions documentation. To aid in development of CF-compliant software and to capture with a minimal set of elements all of the information contained in the CF conventions, we propose a formal data model for CF which is independent of netCDF and describes all possible CF-compliant data. Because such data will often be analysed and visualised using software based on other data models, we compare our CF data model with the ISO 19123 coverage model, the Open Geospatial Consortium CF netCDF standard, and the Unidata Common Data Model. To demonstrate that this CF data model can in fact be implemented, we present cf-python, a Python software library that conforms to the model and can manipulate any CF-compliant dataset.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Learning-Based Inversion-Free Model-Data Integration to Advance Ecosystem Model Prediction

Ecosystem model prediction is important for understanding ecosystem responses to climate change and for management support. Model prediction and quantification of predictive uncertainty of ecosystems have long been investigated. The traditional workflow, which calibrates models to match observations and then uses the calibrated models for predictions, relies heavily on inverse modeling to constrain uncertain parameters in complex forward models. This inversion-based prediction approach is infeasible for complex models with heterogeneous parameter uncertainties and incapable of rapid integration of streaming and multiple sources of data because of the difficulty and computational cost in the model inversion, which is typically ill-posed and can require hundreds of thousands of expensive forward simulations to be performed iteratively. We propose to circumvent inverse modeling by precomputing an ensemble of unconstrained forward simulations and then using machine learning (ML) methods to learn the statistical relationship between simulated observation and prediction quantities. Once the ML model has learned the relationship, it can be used to make predictions of future system behavior with uncertainty quantification based on observations. The proposed learningbased inversion-free model prediction (LIMP) framework is computationally efficient which only requires a few thousands of fully parallelizable forward simulations. Additionally, LIMP can continually update predictions based on streaming observations from multiple locations and sources without necessarily requiring extra model simulations. In this study, we apply LIMP to a regional terrestrial ecosystem model with 47 parameters for testing, refining, and evaluating the approach. We demonstrate that LIMP can be used for efficient model prediction, rapid data assimilation, and cost-effective experimental design for improving robust predictive understanding of ecosystems.

Lu, Dan↗
DOE OSTI2011

An Approach to Integrate a Space-Time GIS Data Model with High Performance Computers

In this paper, we describe an approach to integrate a Space-Time GIS data model on a high performance computing platform. The Space-Time GIS data model has been developed on a desktop computing environment. We use the Space-Time GIS data model to generate GIS module, which organizes a series of remote sensing data. We are in the process of porting the GIS module into an HPC environment, in which the GIS modules handle large dataset directly via parallel file system. Although it is an ongoing project, authors hope this effort can inspire further discussions on the integration of GIS on high performance computing platforms.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2014

Damsel: A Data Model Storage Library for Exascale Science

The goal of this project is to enable exascale computational science applications to interact conveniently and efficiently with storage through abstractions that match their data models. We will accomplish this through three major activities: (1) identifying major data model motifs in computational science applications and developing representative benchmarks; (2) developing a data model storage library, called Damsel, that supports these motifs, provides efficient storage data layouts, incorporates optimizations to enable exascale operation, and is tolerant to failures; and (3) productizing Damsel and working with computational scientists to encourage adoption of this library by the scientific community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

LinkML: an open data modeling framework

Background Scientific research relies on well-structured, standardized data; however, much of it is stored in formats such as free-text lab notebooks, nonstandardized spreadsheets, or data repositories. This lack of structure challenges interoperability, making data integration, validation, and reuse difficult. Findings LinkML (Linked Data Modeling Language) is an open framework that simplifies the process of authoring, validating, and sharing data. LinkML can describe a range of data structures, from flat, list-based models to complex, interrelated, and normalized models that utilize polymorphism and compound inheritance. It offers an approachable syntax that is not tied to any one technical architecture and can be integrated seamlessly with many existing frameworks. The LinkML syntax provides a standard way to describe schemas, classes, and relationships, allowing modelers to build well-defined, stable, and optionally ontology-aligned data structures. Once defined, LinkML schemas may be imported into other LinkML schemas. These key features make LinkML an accessible platform for interdisciplinary collaboration and a reliable way to define and share data semantics. Conclusions LinkML helps reduce heterogeneity, complexity, and the proliferation of single-use data models while simultaneously enabling compliance with FAIR (Findable, Accessible, Interoperable, and Reusable) data standards. LinkML has seen increasing adoption in various fields, including biology, chemistry, biomedicine, microbiome research, finance, electrical engineering, transportation, and commercial software development. In short, LinkML makes implicit models explicitly computable and allows data to be standardized at their origin. LinkML documentation and code are available at https://linkml.io/.

AI-ready data↗