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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Comparison of Time Series Gap-Filling Methods to Impute Solar Radiation Data

Complete solar resource datasets play a critical role at every stage of solar project phases. However, measured or modeled solar resource data come with significant uncertainties and usually suffer from several issues, including but not limited to, data gaps, data quality issue, etc. In order to mitigate these issues an appropriate data imputation method should be implemented to build a complete and reliable temporal (and spatial) database. Being motivated by this, in this study we compare the performances of eight different gap filling methods extensively by creating random and artificial data gaps in (i) hourly irradiance data for one year using a few locations of the National Solar Radiation Database (NSRDB) and (ii) one-minute ground measurement dataset from Surface Radiation Budget Network (SURFRAD) stations.

clearness index↗
DOE OSTI2022

Lithologies and Depositional Environments for the NATCARB Saline Reservoirs

This dataset summarize the results of a literature review performed to define the primary lithologies and depositional environments for the target reservoir units defined by the National Carbon Sequestration Database (NATCARB) Saline reservoir 10km Grid data layer, accessible at https://edx.netl.doe.gov/dataset/natcarb. The potential saline storage reservoirs, defined in the Saline 10km Grid layer and in this sheet as "RESOURCE_NAME", were summarized and a literature review was completed to define the primary lithology and depositional environment, and sometimes a secondary lithology and depositional environment for each rock unit. If no verifiable resources were found during the literature review, the primary and secondary lithology and depositional environments were left blank. This file is organized by sheets for each of the 7 Regional Carbon Sequestration Partnerships (RCSP): Big Sky Carbon Sequestration Partnership (BSCSP), the Midwest Geological Sequestration Consortium (MGSC), the Midwest Regional Carbon Sequestration Partnership (MRCSP), the Plains CO₂ Reduction Partnership (PCOR), the Southeast Regional Carbon Sequestration Partnership (SECARB), the Southwest Regional Partnership on Carbon Storage (SWP), and the West Coast Regional Carbon Sequestration Partnership (WESTCARB). The partnerships last updated the NATCARB database in 2015.

Basin↗
DOE OSTI2022

Characterization of Long-term Service Coal Combustion Power Plant Extreme Environment Materials

The technical goal of this project is to develop a comprehensive database of mechanical properties, alloy microstructures, and to a lesser extent, the oxidation/corrosion behavior of coal-fired power plant components, such as boiler tubing, steam headers and steam piping, which have been in long-term service (at least 100,000 operating hours, and preferably more than 200,000 operating hours) under the operating conditions of high temperatures and high mechanical stresses where creep, fatigue, steam-side oxidation, and fireside corrosion are life-limiting factors. The components included in the database will include the following types of high temperature alloys: creep strength enhanced ferritic (CSEF) steels, 300-series H-grade stainless steels, and dissimilar metal welds (DMWs).

Characterization↗
DOE OSTI2022

NEWTS EPA FGD Effluent Case Studies

Case studies of selected streams from the EPA FGD Database. Includes OLI Studio and Geochemist's Workbench example files. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640

Case Study↗
DOE OSTI2022

NEWTS USGS Brackish Water Case Studies

Case studies from the USGS Brackish Water Database. Includes OLI Studio and Geochemist's Workbench files. Original data from: Qi, S.L., and Harris, A.C., 2017, Geochemical Database for the Brackish Groundwater Assessment of the United States: U.S. Geological Survey data release, https://doi.org/10.5066/F72F7KK1.

Brackish Groundwater↗
DOE OSTI2022

NEWTS USGS Produced Waters Case Studies

Case studies from the USGS Produced Waters Database. Includes OLI Studio and Geochemist's Workbench files. Original data from: Blondes, M. S., Gans, K. D., Engle, M. A., Kharaka, Y. K., Reidy, M. E., Saraswathula, V., Thordsen, J. J., Rowan, E. L., & Morrissey, E. A. (2019). U.S. Geological Survey National Produced Waters Geochemical Database v2.3 [Data set]. U.S. Geological Survey. https://doi.org/10.5066/F7J964W8

Case Studies↗
DOE OSTI2023

NEWTS EPA Ash Dataset

Data from the US EPA Ash Database containing Ash pond effluent data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640

Ash Pond↗
DOE OSTI2023

NEWTS EPA Leachate Dataset

Data from the US EPA Leachate Database containing ash landfill leachate data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640

Ash Landfill Leachate↗
DOE OSTI2023

NEWTS EPA Gasification Dataset and Case Studies

Data from the US EPA Gasification Database containing gasification effluent data from selected U.S. coal power plants. Original data from: Nguyen, Dan-Tam, Eastern Research Group. Sep 29, 2015. Analytical Database for the Steam Electric Rulemaking - DCN SE05359. https://www.regulations.gov/document/EPA-HQ-OW-2009-0819-5640 Files include: Original data tab, processed data and charge balance information in "NEWTS_EPA_Gasification_Effluent_Dataset_all_tabs.xlsx" Individual .csv files for data in format for input into aqueous chemistry modeling software (OLI Systems and Geochemist's Workbench) Data input templates for modeling streams in OLI Systems and Geochemist's Workbench Case studies for selected solved streams modeled in OLI Systems and Geochemist's Workbench

gasification↗
DOE OSTI2024

Carbon Transport and Storage Planning and Viability Support Tools

The EDX disCO2ver Carbon Transport and Storage Planning and Viability Support Tools are made up of the Carbon Storage Planning Inquiry Tool (CS PlanIT, Justman et al. 2024) and the Carbon Storage Technical Viability Approach Support Tool (CS TVA). Together, these tools support data access to support understanding data availability to support planning efforts for carbon transport and storage. The Carbon Storage Planning Inquiry Tool (CS PlanIT) is an online web mapping application designed to help users explore, query, and evaluate multiple data layers to support and accelerate carbon storage resource and feasibility assessments and planning efforts. CS PlanIT currently contains a range of datasets associated with geologic, technical, and infrastructure factors. The data sets can be filtered geographically for an area of interest to update statistics and charts within the dashboard. The dashboard is divided into different sections called widgets, relating to different steps in the carbon storage planning process. The resources in this submission include a link to PlanIT, as well as a data catalog and link to user documentation. The original citation for the CS PlanIT tool, which has now been integrated into the toolset here, was: - Devin Justman, Scott Pantaleone, Maneesh Sharma, Lucy Romeo, Paige Morkner, CS PlanIT (Carbon Storage Planning Inquiry Tool) , 6/28/2024, https://edx.netl.doe.gov/dataset/cs-planit-carbon-storage-planning-inquiry-tool, DOI: 10.18141/2377953 The Carbon Storage Technical Viability Approach Support (CS TVA) Tool displays spatial data availability for the many components of Geologic Carbon Storage (GCS) technical viability assessment (Creason al 2025). Identifying sites suitable for GCS requires evaluating the intersection of myriad factors, including reservoir conditions, subsurface and surface hazards, infrastructure requirements, and energy community metrics. The technical viability of a site can only be confirmed for instances where all these factors have data available, and where those data support viability. Additional Resources related to the Technical Viability Assessment Tool: - Julia Mulhern, Casey White, Araceli Lara, Neyda Cordero Rodriguez, Zachary Jackson, Jacob Shay, Gabriel Creason, MacKenzie Mark-Moser, Paige Morkner, Kelly Rose, Carbon Storage Technical Viability Approach (CS TVA) Database, 3/26/2025, https://edx.netl.doe.gov/dataset/edx4ccs-carbon-storage-technical-viability-approach-database , DOI:10.18141/1984655 - Julia Mulhern, MacKenzie Mark-Moser, Gabriel Creason, Casey White, Araceli Lara, Neyda Cordero Rodriguez, Zach Jackson, Paige Morkner, Kelly Rose, Carbon Storage Technical Viability Approach (CS TVA) Matrix, 3/27/2025, https://edx.netl.doe.gov/dataset/carbon-storage-technical-viability-approach-cs-tva-matrix , DOI: 10.18141/2539979 - Gabriel Creason, Zach Jackson, Neyda Cordero Rodriguez, Julia Mulhern, Casey White, Araceli Lara, MacKenzie Mark-Moser, Paige Morkner, Kelly Rose, Carbon Storage Technical Viability Approach (CS TVA) Data Availability Results Database, 3/27/2025, https://edx.netl.doe.gov/dataset/carbon-storage-technical-viability-approach-cs-tva-data-availability-results-database, DOI:10.18141/2538557

Carbon storage↗
DOE OSTI2024

Gender in Mineral Names

Minerals are the fundamental constituents of Earth, and mineral names appear in scientific literature for disciplines including geology, chemistry, materials science, biology, and medicine, among others. Choosing a name is the full responsibility of the authors of new mineral proposals submitted to the International Mineralogical Association (IMA). Scientific nomenclature and its traditions have evolved over time and, consequently, mineral names track changes in the landscape of mineralogy with respect to language, technology, and culture. To evaluate these changes, the namesake information for all 5896 minerals approved by the IMA or ‘grandfathered’ into use as of December 2022 was recorded and categorized within a workable database. The compiled information yields diverse insights into the intersection of science and culture and could also be used to project future trends. In this study, we used the name database to investigate gender diversity among mineral eponyms. More than half (c. 54%) of all mineral species are named after people, the identities of whom are largely a reflection of the people that have historically been involved, in one way or another, in the geosciences and in the mining industry. Of the 2738 people with minerals named for them, approximately 6.1% are (interpreted to be) women. Nearly all minerals named for women were named during the last sixty years, although the rate of growth in the year-on-year percentage of women among new mineral namesakes has slowed since about 1985. If current and historical trends hold, our model predicts that women will not comprise more than about 10.35% of newly established mineral namesakes in future years. The representation of women among mineral namesakes also differs starkly among countries. For example, Russians comprise 43.11% of women with minerals named for them, but account for only 15.12% of all eponyms. However, there are additional disparities beyond the proportions of namesakes. For scientists who were alive when a mineral was named for them, women were an average of 3.74 years older than men when evaluated over the same timespan (1954–2022). These results demonstrate that gender-based disparities are imprinted into current mineral nomenclature and indicate that gender parity among new mineral namesakes is impossible without unprecedented changes in the upstream demographics that are most likely to affect naming trends.

58 GEOSCIENCES↗
DOE OSTI2019

A Guideline for the Assessment of Uniaxial Creep and Creep-Fatigue Data and Models

Of primary concern to FE practitioners is a determination of which constitutive models are the “best”, capable of reproducing the mechanisms expected in an intended design accurately; as well as what experimental datasets are proper or “best” to use for fitting the constitutive parameters needed for the model(s) of interest. In addition, the inherent uncertainty in experiments and the repeatability and stability of extrapolations (for long-lived FE components) is a major concern. The goal of this project is to develop a guideline for the assessment of uniaxial creep and creep-fatigue data and models. The research objectives are RO1) develop an aggregated database of creep and creep-fatigue data for P91 steel and 316 stainless steel and perform a systematic assessment of the uncertainty and integrity of the datasets. RO2) employ the database to benchmark existing creep and creep-fatigue models to evaluate the model’s ability to predict standard and nonstandard boundary conditions.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Six Degrees of Freedom (6DOF) Simulations of Supersonic Fragment Trajectories

In this report a process using existing technologies at Sandia National Laboratories (SNL) to simulate the six degrees-of-freedom (6DOF) trajectories of explosive fragments is described and tested. First, aerodynamic forces and moments as functions of orientation are computed using the SIERRA/Aero supersonic flow solver. The forces and moments are normalized and tabulated in a database. Second, this the aerodynamic coefficient database is imported into a 6DOF rigid body dynamics solver in order to compute the resulting trajectories. The supersonic flow simulations are tested for simple geometries and show good agreement with literature values. The simulation procedure is then demonstrated for an example fragment. The results of the example fragment indicate that the distance traveled in the early ight (from 2.5 km/s until decreasing down to 1 km/s) varies widely depending on the initial orientations. The fragment trajectory distribution and steady tumbling rate is explored. The study indicates that a 6DOF analysis will yield information about a spread of possible trajectories, while using an average drag coefficient can only represent the most likely trajectory.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Baseline Postirradiation Examination of the FUTURIX-FTA Experiments

Postirradiation Examination (PIE) results from the baseline examination of the FUTURIX-FTA irradiation experiment are presented in this report. The FUTURIX-FTA irradiation was designed to study the fuel performance of candidate transmutation fuels. The FUTURIX-FTA experiment was conducted in the true fast neutron spectrum conditions of the Phénix sodium fast test reactor in France. FUTURIX-FTA contained several compositions that were also irradiated as part of the AFC-1 test in cadmium filtered positions in the Idaho National Laboratory (INL) Advanced Test Reactor (ATR) that approximate the neutron spectrum of a fast reactor. This experiment was a joint collaboration between the Department of Energy (DOE) in the U.S. and the Commissariat á l'Energie Atomique et aux Energies Alternatives (CEA) in France. A joint agreement between DOE and CEA was established in 2004 to conduct an irradiation experiment of metallic and nitride fuels in the Phénix reactor at CEA. Both the FUTURIX-FTA tests and the AFC-1 tests were conducted for the DOE Advanced Fuels Campaign (AFC) that is part of Fuel Cycle Research & Development (FCRD) program. These programs seek to develop and demonstrate the technologies needed to transmute long-lived transuranic actinide isotopes contained in spent nuclear fuel via fast reactor technology. The long term goal of this work is to reduce the radiotoxicity of future high level waste repositories. Post-irradiation examination of irradiated fuels experiments provides data related to in reactor fuel performance and input into future fuel design choices. The compositions of the FUTURIX-FTA pins were designed to test if minor actinides could be incorporated into the fuel of a fast reactor without significantly changing fuel performance observed for previously well studied fuels. The fuel performance of metallic fuel in fast reactors has been well documented. Likewise the irradiation performance of nitride fuels in fast reactors has also been documented. However the existing database for nitride fuels is much smaller than the database for metal fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Biodefense Knowledge Management System

After the Amerithrax attacks, the Department of Homeland Security (DHS) recognized the need to link technical scientific information with law enforcement and national security information in the fight against bioterrorism. The Biodefense Knowledge Center (BKC) was formed to provide timely analysis of technical biodefense-related topics to support DHS and its customers in the interagency. The Biodefense Knowledge Management System (BKMS) was created as the backbone for information management within the BKC. It is a scalable, web-based knowledge management system for organizing disparate data sources. By combining information from 35+ data sources, the BKMS provides a searchable repository for technical information including scientific reports, journal articles, news articles, research funding databases, patent databases, and genomic datasets. The current system contains over 58 million documents and 450 million genomic records, and operates at several classification levels.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Equations of State in Computational Physics: What, Why, and How

Summary: 1. Equations of state furnish thermodynamic properties of a material. 2. Usually involve P, p (or V), and T, or P, r, and E 3. Necessary ingredient to solve compressible flow problems. 4. Varieties: i. Analytical expressions (ideal gas, Grüneisen) – fast, convenient for verification and test problems ii. Graphs and charts – good for hand calculations iii. Tables and databases – generally most accurate, require interpolation i. Steam tables ii. NIST database iii. SESAME EOS Library 5. Constructed by using semi-empirical models from Statistical Mechanics and fitting to available data

36 MATERIALS SCIENCE↗
DOE OSTI2020

Slag Management of Carbon Feedstock Used in Gasification FY17 TCF between Eastman Chemical and NETL (Final Report)

NETL, in collaboration with Eastman Chemical Corp (Kingsport, TN), targeted the joint evaluation and refinement of a slag management program developed by NETL (NETL IP, patent applied for) to control gasifier slag properties formed from ash in individual or combinations of different coal-based carbon feedstock materials and specific slag modifiers used in gasification. Slag forms from mineral or organic-metallic impurities in the carbon feedstock that melt at the high temperatures of gasification, coalescing to form a liquid (slag) that must flow from the gasifier. Slag additives, also known as slag modifiers, are often added to the carbon feedstock to modify the ash chemistry and achieve desired slag flow properties at target temperatures used in gasification. If slag does not flow from a gasifier, its buildup within the gasification chamber will cause either gasifier shutdown to physically remove the slag (consuming time and damaging the protective refractory lining), or the gasification temperature must be increased to lower slag viscosity so it can flow from the gasifier, leading to greater refractory wear/corrosion, along with increased fouling and downstream component wear. Because of these issues, gasification is typically targeted at the lowest temperature possible where slag will flow in a controlled manner (a temperature range called T100 for the lowest temperature, with T250 being the highest temperature where the slag has achieved the desired fluidity). That temperature range also needs to yield a desired syngas composition, highlighting the importance of knowing and being able to control carbon feedstock slag viscosity and the temperature of thermal breakdown of the carbon feedstock. Slag viscosity varies with changes in the gasification chamber temperature, oxygen partial pressure, and slag chemistry. The slag model work with Eastman Chemical targeted predicting and controlling molten coal ash slag behavior at specific gasification conditions. The final goal of the refined model was to develop/refine the NETL slag model so a gasifier operator would be able to predict slag behavior prior to purchasing or using a carbon feedstock and control slag properties once a carbon feedstock is being gasified, allowing a gasifier user to determine what mineral additives or blends of different carbon materials would be needed to achieve desired slag properties at targeted gasification conditions. For a given carbon feedstock and desired gasification condition, the actual gasification cost and slag behavior would be able to be predicted using the slag management program in advance of purchasing or using the carbon feedstock – allowing accurate control of slag ash behavior in real time. As part of the TCF project work with Eastman Chemical, the viscosity of several ash compositions of interest to them would be measured and used to populate the slag model, along with a large database of historical slag temperature, chemistry, and viscosity information they possess – information that would in-crease the predictive accuracy of the slag management model with slag ash chemistry of interest to them. As part of the model evaluation and refinement, the predictive model and its database will be installed on computers at Eastman Chemical and used to manage slag properties in a gasifier during real-time operation of their gasifier. In summary, success of the slag management program at Eastman Chemical would support its use by other gasifier operators to manage slag chemistry and properties over other desired gasification temperature ranges, allowing greater process control and efficiency of their carbon feedstock conversion during gasification.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

ChIMES: A Machine-Learned Interatomic Model Targeting Improved Description of Condensed Phase Chemistry in Energetic Materials

In this report we detail completion of a Physics and Engineering Model Level Two Milestone targeting improved reactive interatomic potentials (IAPs) for energetic materials (EM) through machine learning. The specific goals of this milestone were to develop, validate, and document a new reactive molecular dynamics method for EM, based on machine learning by (1) generating databases of first-principles-derived forces, stresses, and energies for HN3 and 3,4-bis(3-nitrofurazan- 4-yl)furoxan (DNTF) (2) generate atomistic force fields from these databases via ML, and (3) benchmark model performance against first principles calculations. These goals were achieved by (1) further developing a machine learned reactive IAP and generation approach (i.e. the Chebyshev Interaction Model for Efficient Simulation or “ChIMES”), for which resulting IAPs can approach the predictive power of quantum-mechanical approaches at a fraction of the computational expense, and (2) applying the ChIMES framework to develop models for HN3 and DNTF. We find that for simple energetic materials like HN3, high accuracy ChIMES models can be obtained through application of a fitting approach that does not use active machine learning. We demonstrate the suitability of ChIMES models for simulations involving EM by using the HN3 model in multiscale shock technique simulations to predict the HN3 Chapman-Jouguet detonation state and investigate chemical evolution out to 1 ns following shock compression. This model is then used in larger direct shock (DS) simulations for a preliminary investigation of how bubbles (i.e. voids) influence material response under shock compression. We find that more complex EM (i.e. DNTF) necessitate a more sophisticated fitting approach, and develop a new active learning method and python tool to meet this challenge. We demonstrate that this fitting approach yields ChIMES models that out-perform commonly used standard reactive IAPs as well as semi-empirical quantum methods, and discuss the systematic improvability of these actively learned ChIMES models. We also describe challenges related to model development for EM such as DNTF, for which few experimental or previous simulation data are available (e.g. which could otherwise inform generation of training data). To overcome this issue, we establish a semi-empirical quantum ChIMES capability which can be used to efficiently map out relevant thermodynamic and configurational space, and generate ChIMES-IAP training data in a multiscale manner. We also show that these semi-empirical quantum ChIMES models can be used to generate predictions for the shock Hugoniot (the Hugoniot is the locus of thermodynamic states found in a shocked material) equation of state, investigate related thermochemistry, and explore carbon condensation following shock compression. This work represents a substantial advance in our atomistic modeling capability for EM that will provide much needed information on the chemistry of detonation for continued development of continuum models based on the Cheetah thermochemical code.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗