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Data to reproduce the paper "Data efficiency and extrapolation trends in neural network interatomic potentials" (LLNL-JRNL-845001). Contains: plots, results, and visualization scripts. Preprint available at https://doi.org/10.48550/arXiv.2302.05823.
The dataset contains one million integrated cislunar orbit trajectories, for a time span of up to six years. The data was generated on LLNL HPC systems and is saved in the form of both HDF5 and CSVs.
The section authored by LLNL is in Chapter 2, Global Climate, Part b, Temperature, Section 4, beginning on page S16.
IRSN (France), LLNL (USA) and ORNL (USA) began a long-term collaboration effort in 2015 to update the nuclear criticality Slide Rule (https://ncsp.llnl.gov/analytical-methods/criticality-sliderule) for the emergency response to a nuclear criticality accident. The Slide Rule permits the estimation of neutron and gamma dose rates and integrated doses based upon estimated fission yields, as a function of distance from the fission source, and time after criticality accidents for different critical systems. This paper presents the review of the section “estimation of the number of fissions”, named “fission yield” in the Slide Rule document. This estimation is important because the other information provided by the Slide Rule is directly proportional to the number of fissions. The previous models, based on Hansen and Barbry formulae, will be presented with their associated assumptions and limitations. Then, new proposals will be presented with a comparison to past criticality accidents and experimental data. The new formulae, based on the heat energy equation, cover many types of criticality accidents (solution, dry or low-moderated powder, rods/assemblies in water and dry metal) and require limited information in an emergency situation.
IRSN (France), LLNL (USA) and ORNL (USA) began a long-term collaboration effort in 2015 to update the nuclear criticality Slide Rule for the emergency response to a nuclear criticality accident. The Slide Rule permits the estimation of neutron and gamma dose rates and integrated doses based upon estimated fission yields, as a function of distance from the fission source, and time after criticality accidents for different critical systems. This paper presents results from the fourth phase of the current update of the Slide Rule project, in which delayed fission-product gamma (DFG) dose rates of unreflected plutonium critical systems were compared by several modern 3D radiation transport codes (MCNP, COG, SCALE), using updated flux-to-dose conversion factors. Dose rates are calculated for fissile material at five moderation ratios (H/Pu), at 1 m above the ground as a function of distance (between 30 cm and 1,200 m) from the external surface of the source to the center of the detector, and for periods between 1 s and 1,000 min after the critical instantaneous event. Further efforts have been devoted to the determination of the delayed gamma source, by comparing the time-dependent energy spectra obtained from several methods. Overall, DFG dose rates calculated by each participant led to consistent results. Extra effort is under way to identify the cause of the remaining differences, by comparing precisely the gamma source, and particularly nuclides inventories.
We have calculated a chlorite dissolution rate equation at far from equilibrium conditions by combining new data (20 experiments at high temperature) with previously published data Smith et al. 2013 and Lowson et al. 2007. All rate data (from the 127 experiments) are tabulated in this data submission. More information on the calculation of the rate data can be found in our FY13 Annual support (Carroll LLNL, 2013) which has been submitted to the GDR and is linked below. The rate equation fills a data gap in geothermal kinetic data base and can be used directly to estimate the impact of chemical alteration on all geothermal processes. It is especially important for understanding the role of chemical alteration in the weakening for shear zones in EGS systems.
Contains metadata associated with the wells used in the 2016 Spring Campaign led partially by UW - Madison, LBNL, and LLNL scientists. Included with the well coordinates are the depths to the pressure sensors used in observation and pumping wells. Read me files are included for each .csv file.
The site characterization data used to develop the conceptual geologic model for the Snake River Plain site in Idaho, as part of phase 1 of the Frontier Observatory for Research in Geothermal Energy (FORGE) initiative. This collection includes data on seismic events, groundwater, geomechanical models, gravity surveys, magnetics, resistivity, magnetotellurics (MT), rock physics, stress, the geologic setting, and supporting documentation, including several papers. Also included are 3D models (Petrel and Jewelsuite) of the proposed site. Data for wells INEL-1, WO-2, and USGS-142 have been included as links to separate data collections. These data have been assembled by the Snake River Geothermal Consortium (SRGC), a team of collaborators that includes members from national laboratories, universities, industry, and federal agencies, lead by the Idaho National Laboratory (INL). Other contributors include the National Renewable Energy Laboratory (NREL), Lawrence Livermore National Laboratory (LLNL), the Center for Advanced Energy Studies (CEAS), the University of Idaho, Idaho State University, Boise State University, University of Wyoming, University of Oklahoma, Energy and Geoscience Institute-University of Utah, US Geothermal, Baker Hughes Campbell Scientific Inc., Chena Power, US Geological Survey (USGS), Idaho Department of Water Resources, Idaho Geological Survey, and Mink GeoHydro.
Contains pumping data associated with the wells used in the 2016 Spring Campaign led partially by UW - Madison, LBNL, and LLNL scientists. The well coordinates and the depths to the pressure sensors used in the pumping wells can be found at the link "Coordinates and Sensor Depths" below.
DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the DEEPEN 3D play fairway analysis (PFA) conducted at Newberry Volcano for multiple play types (conventional hydrothermal, superhot EGS, and supercritical), existing geoscientific exploration datasets needed to be acquired, cleaned, reformatted, and assembled in Leapfrog Geothermal. This GDR submission includes all of the cleaned and reformatted (X (m), Y (m), elevation (m), processed data values) datasets used to build the Leapfrog Geodata model. Existing datasets were acquired from the GDR, from AltaRock, and from other sources. This yielded the following datasets: - Digital elevation model produced from LiDAR data by Ramsey and Bard, 2016 - MT surveys from 2006, 2011, 2014, and 2017 (including single inversions) - Gravity surveys from 2006, 2007, and 2011 (including single) - Earthquake catalogs from PNSN, LLNL, and the Newberry EGS Demonstration project - Seismic velocity model from Templeton et al., 2014 - The Frone, 2015 temperature model and a new one produced through extrapolating downhole temperature measurements and the SMU temperature at depth maps. Two versions of the new model are provided: 250 m spacing and 500 m spacing - EarthVision geologic model with alteration from Moser et al., 2016 - Well data from EGS well 55-29, deep geothermal wells, coreholes (GEO N-2 through 5) and several thermal gradient holes - "Newberry Well Data:" Location, simple lithology, directional survey data, and temperature data for the 34 wells and coreholes used in the Newberry PFA Although there are additional 2D datasets available in the area, such as aeromagnetic surveys, these were not included in the analysis. While it may be possible to project these datasets into three dimensions by assuming the surface measurements do not vary with depth, this method is associated with high uncertainty. Preexisting inversions of these data were unavailable, and inverting additional geophysical datasets is outside the scope of this project.
This data upload includes a compilation of experiments for quantifying uranium adsorption onto quartz. The provided .csv file has been compiled from the literature in a findable, accessible, interoperable, reusable (FAIR) data format. This was accomplished using the Lawrence Livermore National Laboratory Surface Complexation Database Converter (SCDC) code written in the R programming language (free licensing available at https://ipo.llnl.gov/technologies/software/llnl-surface-complexation-database-converter-scdc). This constitutes all current data compiled on uranium-quartz interactions in the L-SCIE (LLNL Surface Complexation/Ion Exchange) database (as of 02/28/2022). This data was used to develop surface complexation models that fit the global community dataset (https://doi.org/10.1021/acs.est.1c07109). The FAIR-formatted dataset also enables the implementation of alternative machine-learning approaches that can be explored in the future.
This data release includes experimental data of potentiometric titration for iron oxides. The data in the provided .csv files is not our own experimental data but have been compiled from the multiple literature sources. The master database is L-SCIE (LLNL Surface Complexation/Ion Exchange) database, and the provided .csv files are extracted data from L-SCIE. The .csv files were obtained by using the Lawrence Livermore National Laboratory Surface Complexation Database Converter (SCDC) code written in the R programming language (free licensing available at https://ipo.llnl.gov/technologies/software/llnl-surface-complexation-database-converter-scdc).The released data was used for developing a comprehensive community data-driven surface complexation modeling (SCM) framework for simulating potentiometric titration of mineral surfaces. Compiled community data for ferrihydrite, goethite, hematite, and magnetite are fit to produce representative protolysis constants that can reproduce potentiometric titration data collected from multiple literature sources.
This report presents the results from an analysis of issues and assessments in LLNL’s Issues Tracking System (ITS). The analysis is conducted to identify issues that may require additional management attention and noncompliances that may not have been previously identified that meet the threshold for reporting to the DOE Noncompliance Tracking System (NTS) or to the DOE Safeguards and Security Information Management System (SSIMS).
Site 300 (S300) firing facilities at Lawrence Livermore National Laboratory (LLNL) include a Contained Firing Facility (CFF) at Building 801 (B801) and the open-air shot table at Building 851. The B801 facility includes a 60-kg firing chamber and related support areas, and provides blast-effects containment for high explosive firing operations. Even though these operations are within current environmental limits, containment of the blast effects and hazardous debris further reduces emissions to the environment and minimizes the hazardous and radioactive waste generated.
The Predictive Science Panel (PSP) met at LANL on 12-14 March 2013. The Panel appreciated the frank and open discussion of some very difficult issues with which LANL is grappling with. The meeting consisted of four related deep-dive sessions: (1) Certification – Strategies and challenges for Reuse; (2) Certification – The impact of Pu aging; (3) Certification – The role of subcritical experiments; (4) Certification – First campaigns for MaRIE 1.0 There was also discussion of LLNL’s feedback from the October 2012 report and a poster session featuring excellent work by early-career scientists and engineers.
1 Purpose The purpose of this chemical physical property listing is to provide data required to apply the DOE SCAPA Protective Action Criteria (PAC) values to calculation of the LLNL Quantity (Q) Value thresholds for facility chemical hazard classification.
This report describes the development of reduced-order models (ROMs) describing time-evolution of shallow groundwater impacts due to CO 2 leaks. These ROMs were designed to be subcomponents of a systems-level model being developed by the National Risk Assessment Project. Our work is meant to represent a particular class of groundwater systems: unconfined carbonate aquifers. While actual response of a particular aquifer to a CO 2 leak would be affected by complex hydrogeologic and geochemical processes, the analyses presented in this report considered complex hydrogeology but only simple geochemistry. Complimentary studies were performed at PNNL, emphasizing complex geochemistry and relatively simple (2-D) hydrogeology. Separation of these tasks was necessary due to the computational burden of simulating all the necessary processes in a single model. Similar studies are being performed at LBNL and LLNL to represent a class of confined, sandstone aquifers.
DOE’s Fusion Energy Sciences program supports research on the science of intense heavy-ion beams, on high-energy-density physics (HEDP) and especially Warm Dense Matter (WDM) generated by ion beams, and on target physics for ion-beam-driven Inertial Fusion Energy. The major participants in this endeavor are the partners in the Heavy Ion Fusion Science Virtual National Laboratory (HIFS-VNL), a collaboration of LBNL, LLNL, and PPPL, and colleagues at universities. Ongoing experiments are focused on generating, compressing, and focusing intense, space-charge-dominated ion beams and using them to heat thin foils, the evolution and properties of which are then measured. To further this work, a new accelerator facility, the Neutralized Drift Compression Experiment-II (NDCX-II), has been built at LBNL, and is currently undergoing commissioning. Obtaining maximum benefit from these experiments is a key near-term goal of the simulation program.