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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 OSTI2024

A Database of Stress-Strain Properties Auto-generated from the Scientific Literature using ChemDataExtractor

Abstract There has been an ongoing need for information-rich databases in the mechanical-engineering domain to aid in data-driven materials science. To address the lack of suitable property databases, this study employs the latest version of the chemistry-aware natural-language-processing (NLP) toolkit, ChemDataExtractor, to automatically curate a comprehensive materials database of key stress-strain properties. The database contains information about materials and their cognate properties: ultimate tensile strength, yield strength, fracture strength, Young’s modulus, and ductility values. 720,308 data records were extracted from the scientific literature and organized into machine-readable databases formats. The extracted data have an overall precision, recall and F-score of 82.03%, 92.13% and 86.79%, respectively. The resulting database has been made publicly available, aiming to facilitate data-driven research and accelerate advancements within the mechanical-engineering domain.

Kumar, Pankaj↗
DOE OSTI2026

Database of virus genomes from ultra-deep sequencing of wastewater

Researchers at University of Missouri have conducted ultra-deep RNA sequencing of viral concentrates from wastewater (1 billion Illumina reads per sample). The resulting dataset spans 321 samples collected weekly from 11 cities between 2023-2025. As part of a tri-lab collaboration, scientists at LLNL and LANL cleaned, assembled, and annotated this metagenomic data, identifying nearly 200,000 viral genomes. Careful data curation resulted in a database containing 21,015 high-quality, near-complete viral genomes from wastewater. This database contains viruses predicted to infect a range of hosts including bacteria (most common viruses), plants (most abundant viruses), and vertebrates (rarest viruses). There are also numerous novel viruses that could not be well identified and whose host(s) are unknown. Just 7% of all genomes in the wastewater virus database had genus-level matches in the public NCBI database, and 17% matched to a recently created metagenomic virus database at that level (metaVR). The database will provide baseline information about viruses in wastewater that may be used to additional identify novel viruses during ongoing monitoring

Allen, Jonathan [Lawrence Livermore National Labor↗
DOE OSTI2026

Facilitating Data Collection of Maintenance Events to Populate the Hydrogen Component Reliability Database (HyCReD)

The Hydrogen Component Reliability Database (HyCReD) is a collaborative project between the National Renewable Energy Laboratory, the University of Maryland, and hydrogen stakeholders to improve safety and reliability for hydrogen facilities by implementing component reliability data taxonomies that support hydrogen infrastructure failure rate analysis. The project aims to quantify failure rates of hydrogen components through high-quality data collection and analysis on root causes and maintenance needed. HyCReD provides a common database for cataloging hydrogen component failures which exists for reliability research in many other mature industries [2]. The database fills a gap for the hydrogen community by providing a scientifically rigorous approach to quantitative risk assessment (QRA), prognostic health management (PHM), and reliability-centered maintenance (RCM) analysis. High level results will be aggregated and anonymized to protect company sensitive information; detailed results will be used to help address issues of hydrogen components. These advanced analytics will support accelerated deployment of hydrogen infrastructure by enabling better: design and safety of projects (safety codes and standards development), infrastructure reliability and cost (component failure rates, maintenance protocols), and component R&D needs (robust supply chain). A key to a successful HyCReD implementation is facilitating the ease of reporting and data quality in the database that can be used for analysis. Maintenance data was a previously identified gap in initial efforts to populate and validate the database taxonomies [3]. Collection of maintenance data will be instrumental in identifying failure modes and rates, identifying incipient component failures or reduced performance, cataloging best practices for maintenance routines and methods for prognostic health management, and quantifying the risk and effect of different failure modes. Several key priorities are identified for streamlined data collection to achieve quality and detailed failure data: Applicability, Ease of Use, Accessibility, and Information Security. The HyCReD team has now begun deployment of the database to several companies and groups that have signed non-disclosure agreements to facilitate the data collection of failures in industry hydrogen refueling station infrastructure. This paper will provide an update into the process of HyCReD deployment including the development of a coding guide for facility personnel to reference and ensure data quality and consistency from one station to another as well as implementation of contextually dependent data fields of system taxonomy and formatted entries to provide ease of use. The goal is to communicate the lessons learned from the roll-out to technicians and engineers in the field, and the addition of need for high level of security to protect all stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

The Natural Products Magnetic Resonance Database (NP-MRD) for 2025

The Natural Products Magnetic Resonance Database or NP-MRD (https://np-mrd.org) is a comprehensive, freely accessible, web-based resource for the deposition, distribution, extraction and retrieval of nuclear magnetic resonance (NMR) data on natural products. The NP-MRD was initially established to support compound de-replication and data dissemination for the natural products community. However, that community has now grown to include many users from the metabolomics, microbiomics, foodomics and nutrition science fields. Indeed, since its launch in 2021, the NP-MRD has expanded enormously in size, scope and popularity. The current version of NP-MRD now contains nearly 7X more compounds (281,859 vs. 40,908) and 7X more NMR spectra (5.1 million vs. 817,000) than the first release. More specifically, an additional 4.6 million predicted spectra and another 11,000 spectra simulated from experimental chemical shifts were deposited into the database. Likewise, the number of NMR raw spectral data depositions has grown from a 165 spectra per year to more than 10,000 per year. As a result of this expansion, the number of monthly webpage views has grown from 55 to 20,000 and the number of monthly visitors has increased from 7 to 2500. To address this growth and to better support the expanding needs of its diverse community of users, many additional improvements to the NP-MRD have been made. These include significant enhancements to the data submission process, important improvements to the visualization and display of NMR spectra, notable updates to the database’s spectral search utilities and useful additions to support better NMR spectral analysis/prediction. Significant efforts have also been undertaken to remediate and update many of NP-MRD’s database entries. This manuscript describes these database improvements and expansion efforts, along with how they have been implemented and what future upgrades to the NP-MRD are planned.

Artifical Intelligence↗
DOE OSTI2024

G2Aero Database of Airfoils - Curated Airfoils

This dataset contains a curated set of 19,164 airfoil shapes from various applications and the data-driven design space of separable shape tensors (PGA space), which can be used as a parameter space for machine-learning applications focused on airfoil shapes. We constructed the airfoil dataset in two main stages. First, we identified 13 baseline airfoils from the NREL 5MW and IEA 15MW reference wind turbines. We reparameterized these shapes using least-squares fits of 8-order CST parametrizations, which involve 18 coefficients. By uniformly perturbing all 18 CST coefficients by +/-20% around each baseline airfoil, we generated 1,000 unique airfoils. Each airfoil was sampled with 1,001 shape landmarks whose x-coordinates followed a cosine distribution along the chord. This process resulted in a total of 13,000 airfoil shapes, each with 1,001 landmarks. In the second phase, we gathered additional airfoils from the extensive BigFoil database, which consolidates data from sources such as the University of Illinois Urbana-Champaign (UIUC) airfoil database, the JavaFoil database, the NACA-TR-824 database, and others. We undertook a thorough pre-processing step to filter out shapes with sparse, noisy, or incomplete data. We also removed airfoils with sharp leading edge and those exceeding our threshold for trailing edge thickness. Additionally, we thinned out the collection of NACA airfoils-- parametric sweeps of NACA airfoils with increasing thickness and camber present in BigFoil database-- by selecting every fourth step in the parameter sweeps. Finally, we regularized the airfoils by reparametrizing them with an 8-order CST parametrization (with 1,001 shape landmarks with x coordinated following cosine distribution along the chord) and removing airfoils with high reconstruction errors. This data pre-processing resulted in a set of 6,164 airfoils. In total, our curated airfoil dataset comprises 19,164 airfoils, each with 1,001 landmarks, and is stored in the curated_airfoils.npz file. Using this curated airfoil dataset, we utilized the separable shape tensors framework to develop a data-driven parameterization of airfoils based on principal geodesic analysis (PGA) of separable shape tensors. This PGA space is provided in PGAspace.npz file.

airfoils↗
DOE OSTI2024

An Overview of the Molten Salt Thermal Properties Database--Thermophysical, Version 3.1 (MSTDB-TP v.3.1)

This report presents the current status of the Molten Salt Thermal Properties Database–Thermophysical (MSTDB-TP). Information regarding version 3.1 is provided herein, which contains 820 individual salt entries (data from 180+ independent studies); the thermophysical properties contained in the database include density, viscosity, thermal conductivity, and heat capacity. The major updates to the database include a significant expansion of pseudobinary and higher-order chloride salt mixtures, many of which bearing actinides, and an incorporation of more recent literature data (i.e., that within the past 5 years). Also, modifications have been made to the pure compound data in the database as a consequence of an external quality assessment of duplicate datasets. The user-facing API for the MSTDB-TP, Saline, has been updated to include viscosity estimation capabilities based on the Redlich–Kister formalism; this is an advancement with respect to the existing density estimation capabilities. The graphical user interface was also updated to include a density estimation capability, backed by Saline. Finally, additional preliminary efforts to include surface tension into the database, as well as an investigation on formalisms that would be appropriate for thermal conductivity estimation, are reported herein.

36 MATERIALS SCIENCE↗
DOE OSTI2025

BRE‐X Emissions Database for End‐of‐Life Scenarios of Selective Building Construction Materials to Enable Circular Economy in Construction

In the United States, construction and demolition debris predominately end up in landfills with minimal end‐of‐life Re‐X (recover, recycle, reuse, etc.) scenarios, resulting in large environmental impacts and lost opportunities for material recovery. Except for concrete and metals, which seem to have a few well‐defined end‐of‐life pathways, there seems to be a lack of well‐documented end‐of‐life scenarios for other construction materials, let alone their emissions data. Hence, there is a need for documented end‐of‐life Re‐X scenarios and end‐of‐life data of more building materials to motivate widespread use of Re‐X strategies in building design. This paper outlines the efforts of the National Renewable Energy Laboratory, Carbon Leadership Forum, Building Transparency, and Skidmore, Owings & Merrill to (a) create an open‐access BRE‐X (Building Re‐X) end‐of‐life emissions database consisting of greenhouse gas emissions data associated with various end‐of‐life scenarios for a select list of high‐impact building construction materials, and (b) integrate the BRE‐X end‐of‐life emissions database with CAD/BIM/LCA tools for evaluating various end‐of‐life scenarios. The paper also presents a few existing life cycle inventory databases that contain sparse amounts of end‐of‐life data for a few construction materials and their limitations in terms of scaling and data consolidation. Finally, a sample of how the collected data can be ingested into whole‐building LCA tools using open data formats and a public access link to the BRE‐X end‐of‐life emissions database is also included.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Large language model-driven database for thermoelectric materials

Thermoelectric materials have the ability to convert waste heat into electricity, offering a valuable solution for energy harvesting. However, their widespread use is hindered by low conversion efficiency, the reliance on expensive rare earth elements, and the environmental and regulatory concerns associated with lead-based materials. A fast and cost-effective way to identify highly efficient thermoelectric materials is through data-driven methods. These approaches rely on robust and comprehensive datasets to train models. Although there are several databases on thermoelectric materials, there is still a need to collect and integrate experimental data from peer-reviewed research articles to capture diverse compositions and properties of materials. Here, in this work, we developed a comprehensive database of 7,123 thermoelectric compounds, containing key information such as chemical composition, structural detail, seebeck coefficient, electrical and thermal conductivity, power factor, and figure of merit (ZT). We used the GPTArticleExtractor workflow, powered by large language models (LLM), to extract and curate data automatically from the scientific literature published in Elsevier journals. This process enabled the creation of a structured database that addresses the challenges of manual data collection. The open access database could stimulate data-driven research and advance thermoelectric material analysis and discovery.

Database↗
DOE OSTI2025

Data from TropiRoot 1.0 database: tropical root characteristics across environments

TropiRoot 1.0 is a new tropical root database with root characteristics across environment gradients. It has data extracted from 104 new sources, resulting in more than 8000 rows of data (either species or community data). Most of the data in TropiRoot 1.0 includes root characteristics such as root biomass, morphology, root dynamics, mass fraction, architecture, anatomy, physiology and root chemistry. This initiative represents an approximately 30% increase in the currently available data for tropical roots in the Fine Root Ecology Database (FRED). TropiRoot 1.0, contains root characteristics from 25 different countries where seven are located in Asia, six in South America, five in Central America and the Caribbean, four in Africa, two in North America, and 1 in Oceania. Due to the volume of data, when ancillary data was available, including soil data, these data was either extracted and included in the database or their availability was recorded in an additional column. Multiple contributors checked the entries for outliers during the collation process to ensure data quality. For text-based observations, we examined all cells to ensure that their content relates to their specific categories. For numerical observations, we ordered each numerical value from least to greatest and plotted the values, checking apparent outliers against the data in their respective sources and correcting or removing incorrect or impossible values. Some data (soil and aboveground) have different columns for the same variable presented in different units, including originally published units, but root characteristics data had units converted to match the ones reported in FRED. By filling a gap from global databases, TropiRoot 1.0 expands our knowledge of otherwise so far underrepresented regions, and our ability to assess global trends. This advancement can be used to improve tropical forest representation in vegetation models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The northeast materials database for magnetic materials

The discovery of magnetic materials with high operating temperature ranges and optimized performance is essential for advanced applications. Current data-driven approaches are limited by the lack of accurate, comprehensive, and feature-rich databases. This study aims to address this challenge by using Large Language Models (LLMs) to create a comprehensive, experiment-based, magnetic materials database named the Northeast Materials Database (NEMAD), which consists of 67,573 magnetic materials entries (www.nemad.org). The database incorporates chemical composition, magnetic phase transition temperatures, structural details, and magnetic properties. Enabled by NEMAD, we trained machine learning models to classify materials and predict transition temperatures. Our classification model achieved an accuracy of 90% in categorizing materials as ferromagnetic (FM), antiferromagnetic (AFM), and non-magnetic (NM). The regression models predict Curie (Néel) temperature with a coefficient of determination (R 2 ) of 0.87 (0.83) and a mean absolute error (MAE) of 56K (38K). These models identified 25 (13) FM (AFM) candidates with a predicted Curie (Néel) temperature above 500K (100K) from the Materials Project. This work shows the feasibility of combining LLMs for automated data extraction and machine learning models to accelerate the discovery of magnetic materials.

Ferromagnetism↗
DOE OSTI2025

A database and meta-analysis on the performance of exploding pusher implosions conducted at OMEGA

A database of 222 exploding pusher implosions conducted at the OMEGA Laser Facility is presented. The dataset consists of glass-shell capsules filled with varying pressures of D 2 , T 2 , and 3 He, which were imploded using square laser pulses with intensities ranging from 1 to 1 × 10 15 W/cm 2 . The database includes measurements of bang times, ion temperatures, and yields from the DD, D 3 He, and DT fusion reactions. A semi-analytic exploding pusher model is introduced, which effectively captures the observed trends in the data. This model predicts that the measurements scale according to a power-law relation based on the initial capsule and laser conditions. A generalized power-law scaling relation is directly fit to each dataset, providing a useful interpolation of the entire database. Overall, the database provides a valuable resource to estimating bang times, temperatures, and yields for the design of future experiments. Additionally, it provides a diverse set of data for validating more advanced implosion physics models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Empirical scaling of the L–H threshold power for metal wall tokamaks using a multi-device database

The empirical scaling for the H-mode power threshold in tokamaks has been revisited using a database with threshold data from machines with a metallic first wall as part of International Tokamak Physics Activity (ITPA) task TC-26. The database contains discharges from ASDEX Upgrade (AUG) (W), JET (Be/W) and Alcator C-Mod (Mo). This was motivated by reports that in like-for-like discharges the power threshold was reduced by approximately 30% after the change from carbon based to metallic first wall materials on AUG (Ryter et al 2013 Nucl. Fusion 53 113003) and JET (Maggi et al 2014 Nucl. Fusion 54 023007). The database contains L–H transition data for all hydrogen isotopes and mixtures, including T and DT from the recent JET campaigns. Compared to the ITPA 2008 scaling (Martin et al 2008 J. Phys.: Conf. Ser. 123 012033), the metal wall scaling has a smaller magnetic field exponent but a larger density exponent. We present an additional parameter to capture the strong dependence of the L–H power threshold (approx. factor 2) on the magnetic configuration in the divertor on JET. The scaling recovers the approximate inverse isotope mass scaling of the threshold power. Alternative scalings involving the plasma current and poloidal magnetic field are explored. Despite the reduction in threshold observed earlier, the scalings based on the metal wall database do not necessarily extrapolate to a lower threshold for ITER compared to the ITPA 2008 scaling, especially at high density. The divertor configuration effect induces the largest uncertainty in the extrapolation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

VISTA Enhancer browser: an updated database of tissue-specific developmental enhancers

Regulatory elements (enhancers) are major drivers of gene expression in mammals and harbor many genetic variants associated with human diseases. Here, we present an updated VISTA Enhancer Browser (https://enhancer.lbl.gov), a database of transgenic enhancer assays conducted in developing mouse embryos in vivo. Since the original publication in 2007, the database grew nearly 20-fold from 250 to over 4500 experiments and currently harbors over 23 500 images. The updated database provides structured information on experiments conducted at different stages of embryonic development, including enhancer activities of human pathogenic and synthetic variants and sequences derived from a variety of species. In addition to manually curated results of thousands of individual experiments, the new database also features hundreds of manually curated comparisons between alleles. The VISTA Enhancer Browser provides a crucial resource for study of human genetic variation, gene regulation and developmental biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Enzyme Engineering Database (EnzEngDB): a platform for sharing and interpreting sequence–function relationships across protein engineering campaigns

The discovery and engineering of new enzymes is important across the bioeconomy, with diverse applications from foods to pharmaceuticals, sensors to agriculture. However, enzyme engineering, in particular machine learning-guided engineering, is hampered by a lack of data. Currently there exists no database designed to capture and interpret datasets created in this domain, nor are there easy analysis and visualisation tools. We developed the Enzyme Engineering Database to provide a centralized resource and an online analysis tool to consolidate sequence-function data from enzyme engineering campaigns, thereby making three contributions: (i) a database into which researchers can deposit public data, (ii) visualisation and analysis tools for protein engineers to analyse their own data or compare enzyme variants to other engineering campaigns, and (iii) a gold-standard dataset for benchmarking automated extraction along with the first large language model extraction pipeline specific for enzyme engineering campaigns. The Enzyme Engineering Database is accessible at http://enzengdb.org/.

Long, Yueming [California Institute of Technology ↗
DOE OSTI2025

The Pan-Arctic Vegetation Cover (PAVC) database v1.1

The Pan-Arctic Vegetation Cover (PAVC) database contains synthesized field-data observations of vegetation cover from 978 Arctic Alaska plots with observations from 2010 to 2021. The cover datasets contain plot data at both the plant functional type (PFT) and species-level resolution, with standardized PFT definitions and species names. We synthesized publicly available point-intercept and visual estimate plots from the Arctic Vegetation Archive of Alaska, the Alaska Vegetation Plots Database, the North Slope Science Catalog, and the National Ecological Observatory Network; as well as previously unpublished data from the Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic).Users will find four synthesized datasets, 4 associated data descriptor (dd) files, and 1 metadata file in the PAVC database:synthesized_species_fcover.csv contains fractional cover (fcover) for unique accepted species names, where names include vegetation identified at the family, genus, species, subspecies, and variety levels, as well as general functional types across all 5 data sources. The synthesized_species_fcover_dd.csv accompanies this dataset with header information.synthesized_pft_fcover.csv contains fcover for the following PFTs: non-vascular plants with lichen and bryophyte subcategories, trees with deciduous and evergreen subcategories, shrubs with deciduous and evergreen subcategories, graminoids (grasses), and forbs (herbaceous flowering plants) measured as total cover. Litter and “other” cover are also included as total cover. Additional “types” include water and bare ground, which were measured as top cover. The synthesized_pft_fcover_dd.csv accompanies this dataset with header information.species_pft_checklist.csv is a lookup table containing the translation from a dataset species name to an accepted species name and to a PFT. This table can be used to clarify our species to PFT adjudications, and to aid users in assigning their own PFTs. Any issues found in this checklist should be reported in the Issues tab of our github.survey_unit_information.csv contains auxiliary information about the plots synthesized in this database. It contains useful information for filtering plots of interest based on temporal, geospatial, and contextual information about the plot surveys.flmd.csv contains metadata information about each file in the database.This research was performed as a part of the NGEE Arctic project. The NGEE Arctic project was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Prospective Seal Unit Spatial Extent Database for U.S. Sedimentary Basins

The Prospective Seal Unit Spatial Extent Database for U.S. Sedimentary Basins contains a series of spatial datasets representing spatial extents of publicly available data for caprock and seal rock units within the Appalachian Basin, Denver-Julesburg Basin, Great Valley Basin (Sacramento and San Joaquin Basins), Illinois Basin, Michigan Basin, San Juan Basin, U.S. Gulf Coast Basin, and Williston Basin. The database is designed to support carbon storage feasibility and resources assessment for carbon transport and storage (CTS) projects while displaying the spatial extent of prospective seal units and provide a guide to the original data source. This database leverages publicly available data resources from authoritative sources (e.g. U.S. Geological Survey, State Geologic Surveys, and published reports), and aims to help guide users to understand the seal unit's spatial coverage and data gaps from the regional to sub-basin/field scale. The database is organized by seal unit/formation, including the spatial extent for data found to be available for the seal unit. The various datasets represented include spatial extents of the lithologic formation, depth to top structural contour maps, and thickness/isopach maps. Included in this submission are the following resources: 1. Geodatabase/Dataset: “prospective-seal-unit-extents-2025.gdb” 2. ReadMe: “readme-prospective-seal-unit-spatial-extent-dataset-2025.pdf” 3. Data Catalog: “prospective-seal-unit-spatial-extents-data-catalog-2025.xlsx” 4. Data Sources Key: “data-source.csv” Please see NETL disclaimers here: https://netl.doe.gov/home/disclaimer

Basin↗
DOE OSTI2024

Dynamic CCS-EJ-SJ Database and Web Application - What's New

At the 2024 FECM/NETL Carbon Management Research Project Review Meeting, within the Carbon Transport and Storage Breakout Session 3, the presentation "Dynamic CCS-EJ-SJ Database and Web Application - What's New" highlights the critical tool designed to integrate environmental and social justice considerations into Carbon Capture and Storage (CCS) projects. Key features include an interactive dashboard for data access and visualization, which supports stakeholders in making informed decisions regarding CCS implementation, and updated data layers. The latest version enhances data integration and usability, providing a comprehensive resource for assessing the social and environmental impacts of CCS projects. There are 7 categories in the CCS EJSJ v2 database (released 03/31/2024): environmental justice, energy justice, economic justice, social justice, ecosystem assets, clean energy, and infrastructure. Most of the layers within each category have been updated in this version. As compared to the old database, there are 3 new categories in the v2 database: ecosystem assets, clean energy, and infrastructure.

Sharma, Maneesh↗
DOE OSTI2024

M3SF-24LL010301052-Summary of SUPCRTNE testing and Rev0 database

This progress report (Level 3 Milestone Number M3SF-24LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Disposal R&D work package SF-24LL01030105. SUPCRTNE is being developed as the primary engine for thermodynamic database development in support of geologic disposal of high-level nuclear waste. As used here, “SUPCRT” refers to both a computer program and its supporting database. Additional letters or numbers refer to specific variants (SUPCRT92, (Johnson et al., 1992); SUPCRTBL, (Zimmer et al., 2016); and SUPCRTNE). A SUPCRT database contains the data required to calculate the thermodynamic properties of solid, gas, and aqueous species over a wide range of temperature and pressure. Normally, SUPCRT is used to create a higher-level database that directly supports modeling and simulation codes such as EQ3/6, GWB, PHREEQC, and PFLOTRAN.

58 GEOSCIENCES↗