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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 91 records · Page 5

Conserving Land–Atmosphere Synthesis Suite (CLASS)

Accurate estimates of terrestrial water and energy cycle components are needed to better understand climate processes and improve models’ ability to simulate future change. Various observational estimates are available for the individual budget terms; however, these typically show inconsistencies when combined in a budget. In this work, a Conserving Land–Atmosphere Synthesis Suite (CLASS) of estimates of simultaneously balanced surface water and energy budget components is developed. Individual CLASS variable datasets, where possible, 1) combine a range of existing variable product estimates, and hence overcome the limitations of estimates from a single source; 2) are observationally constrained with in situ measurements; 3) have uncertainty estimates that are consistent with their agreement with in situ observations; and 4) are consistent with each other by being able to solve the water and energy budgets simultaneously. First, available datasets of a budget variable are merged by implementing a weighting method that accounts both for the ability of datasets to match in situ measurements and the error covariance between datasets. Then, the budget terms are adjusted by applying an objective variational data assimilation technique (DAT) that enforces the simultaneous closure of the surface water and energy budgets linked through the equivalence of evapotranspiration and latent heat. Comparing component estimates before and after applying the DAT against in situ measurements of energy fluxes and streamflow showed that modified estimates agree better with in situ observations across various metrics, but also revealed some inconsistencies between water budget terms in June over the higher latitudes.

54 ENVIRONMENTAL SCIENCES↗

AI4IO: A suite of AI-based tools for IO-aware scheduling

Traditional workload managers do not have the capacity to consider how IO contention can increase job runtime and even cause entire resource allocations to be wasted. Whether from bursts of IO demand or parallel file systems (PFS) performance degradation, IO contention must be identified and addressed to ensure maximum performance. In this paper, we present AI4IO (AI for IO), a suite of tools using AI methods to prevent and mitigate performance losses due to IO contention. AI4IO enables existing workload managers to become IO-aware. Currently, AI4IO consists of two tools: PRIONN and CanarIO. PRIONN predicts IO contention and empowers schedulers to prevent it. CanarIO mitigates the impact of IO contention when it does occur. We measure the effectiveness of AI4IO when integrated into Flux, a next-generation scheduler, for both small- and large-scale IO-intensive job workloads. Our results show that integrating AI4IO into Flux improves the workload makespan up to 6.4%, which can account for more than 18,000 node-h of saved resources per week on a production cluster in our large-scale workload.

Wyatt, II, Michael R.↗

CATMoS: Collaborative Acute Toxicity Modeling Suite

Background: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk management. However, it is cost- and time-prohibitive to evaluate all new and existing chemicals using traditional rodent acute toxicity tests. In silico models built using existing data facilitate rapid acute toxicity predictions without using animals. Objectives: The U.S. Interagency Coordinating Committee on the Validation of Alternative Methods Acute Toxicity Workgroup organized an international collaboration to develop in silico models for predicting acute oral toxicity based on five different endpoints: LD50 value, U.S. Environmental Protection Agency hazard categories, Globally Harmonized System for Classification and Labelling hazard categories, very toxic chemicals (LD50 =50 mg/kg), and non-toxic chemicals (LD50 >2000 mg/kg). Methods: An acute oral toxicity data inventory for 11,992 chemicals was compiled, split into training and evaluation sets, and made available to 35 participating international research groups that submitted a total of 139 predictive models. Predictions that fell within the applicability domains of the submitted models were evaluated using external validation sets. These were then combined into consensus models to leverage strengths of individual approaches. Results: The resulting consensus predictions, which leverage the collective strengths of each individual model, form the Collaborative Acute Toxicity Modeling Suite (CATMoS). CATMoS demonstrated high performance in terms of accuracy and robustness when compared to in vivo results. Discussion: CATMoS is being evaluated by regulatory agencies for its utility and applicability as a potential replacement for in vivo rat acute oral toxicity studies. CATMoS predictions for over 800,000 chemicals have been made available via the NTP’s Integrated Chemical Environment. The models are also implemented in a free, standalone open-source tool, OPERA, which allows predictions of new and untested chemicals to be made.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Reactor physics benchmark of Westinghouse PWR core design suite for high burnup/high enrichment fuel - Part 1: Pin and lattice

Westinghouse has performed a comprehensive set of code-to-code benchmark comparisons to corroborate application of its state-of-the-art NEXUS-based code suite to high burnup and high enrichment (HB/HE) fueled PWR core design and reload analysis. This paper focuses on analysis of the predictions for pin and lattice designs representative of HB/HE core reloads from the Westinghouse advanced lattice code PARAGON2, the Monte-Carlo code SERPENT2 and MPACT, the deterministic neutronic component of VERA. A companion paper presented at this conference analyzes results obtained with the Westinghouse ANC9 core simulator, using lattice data provided by PARAGON2 with the NEXUS cross-section methodology, and MPACT for 2D and 3D core configurations incorporating HB/HE fuel reloads to achieve cycle length extension to 24-month in high-power density PWRs. The results of the pin and lattice benchmark presented in this paper show that the neutronic predictions from PARAGON2 for HB/HE fueled PWRs are in remarkable agreement with predictions from both SERPENT2 and MPACT including for depletion to high fuel burnup values, and employing a set of challenging lattices which feature combined use of burnable absorbers to obtain the required reactivity hold-down to support PWR transition to HB/HE fuel and 24-month operational cycles. As corroborated by this analysis and the analysis contained in the companion paper, the Westinghouse NEXUS-based PWR core analysis package can be confidently applied by industry for design analysis of PWR core reloads adopting HB/HE fuel and properly support the industry commercialization plans for in-reactor deployment. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Continuous sensor suite measurements of weather, energy, soil and flux at four PumpHouse sites at the East River, Colorado

The purpose of this package is to monitor energy and water fluxes using a comprehensive set of sensors integrated on a tripod set up at 4 locations at the East River watershed in Colorado in the Upper Colorado River Basin as part of the Scientific Focus Area (SFA) research led by the Lawrence Berkeley National Lab (LBNL). This is a continuous sensor suite measurements of weather, energy, soil and flux at four East River pumphouse sites (ER-PHS1, ER-PHS2, ER-PHS3 and ER-PHS4) include: (1) soil CO2 concentration, CO2 flux and heat flux from soil surface; (2) photosynthetic active radiation flux at 1 m; (3) incoming/outcoming short and long wave radiation at 1 m, and user calculated net short and long wave radiation; (4) oxygen concentration and surface infrared temperature; (5) soil volumetric water content, temperature, and electrical conductivity at 10, 30, 60, 115 cm depth 115 cm depth; (6) soil matric potential and temperature at 30 cm depth; (7) incoming short wave radiation at 3 m height; (8) rainfall precipitation; (9) lightning strikes and strike distances; (10) wind direction and speed, maximum wind gust at 3 m; (11) air temperature, vapor pressure and barometric pressure at 3 m; (12) X _axis_level and Y_axis_level_(degree), tilt of the ATMOS 41 sensor; (13) maximum rainfall rate; (14) relative humidity sensor temperature at 3 m; (15) internally calculated vapor pressure deficit at 3 m with vapor pressure, relative humidity and sensor temperature measurements; (16) user calculated vapor pressure.These datasets contain data from Oct 11 2019 to March 20, 2020, and new datasets will be updated on annual basis. Files uploaded in Excel and Word, with copies in csv and pdf format.

54 ENVIRONMENTAL SCIENCES↗

Public Data Set: A Magnetic Diagnostic Suite for the Pegasus-III Experiment

This public data set contains openly-documented, machine readable digital research data corresponding to figures published in J.A. Reusch et al., 'A Magnetic Diagnostic Suite for the Pegasus-III Experiment,' Review of Scientific Instruments 95, 093518 (2024). DOI: 10.1063/5.0219341

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Benched: Upgrading and Updating the Los Alamos Benchmark Suite for the 21st Century [Slides]

The presentation begins by stating that most organizations make choices to handle specific things when preparing input files for validation, such as which elemental abundance data to use, how to decompose specific elements, and setting calculation precision. It also discusses the consequences, which include differing calculation results between different organizations for the same case, even when using the same code. This is illustrated by the intercomparison exercise and input files that are prepared by one organization and are not necessarily correct for another. The presentation explains that the Los Alamos Benchmark Suite is a centralized repository of high-quality benchmark models currently under development at LANL. The objectives of the new repository are to remain up to date with the latest ICSBEP revision, to have a formal review and revision process, to (eventually) be an open-source repository, and to provide new tools for improved input and output file generation and review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Probabilistic Resource Adequacy Suite (PRAS) v0.6 Model Documentation

The Probabilistic Resource Adequacy Suite, or PRAS, is a software package for studying power system resource adequacy. It allows the user to simulate power system operations under a wide range of operating conditions, in order to study the system’s risk of failing to meet demand due to a resource shortfall, and identify the time periods and regions in which that risk occurs. This reports documents version 0.6 of the tool.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SAS4A/SASSYS-1 Lead Verification Test Suite

SAS4A/SASSYS-1 is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. With its origin as SAS1A in the late 1960s, the SAS series of codes has been under continuous use and development for over forty-five years and represents a critical investment in safety analysis capabilities for the U.S. Department of Energy. Although SAS4A/SASSYS-1 was developed to support the analysis of any liquid-metal-cooled nuclear reactor, it has primarily been utilized to design and analyze Sodium Fast Reactors (SFRs). As a result, most of the verification basis for SAS4A/SASSYS-1 utilizes sodium as a coolant and geometry descriptions that are typical of a SFR facility. In this work, new verification problems are defined to extend the applicability of the SAS4A/SASSYS-1 verification basis into Lead Fast Reactor (LFR) design space. A review of the existing SAS4A/SASSYS-1 SFR verification test suite is performed to determine the number of test cases that are SFR specific. SFR specific test cases are replicated using lead as a coolant and system layouts that are representative of LFRs. This report provides definitions and reference solutions for seven new test cases that scope lead-specific features and capabilities of the software. For a verification test to be considered acceptable, comparisons of analytical solutions to SAS4A/SASSYS-1 predictions must produce negligible or justifiable errors. All LFR specific test cases are found to be acceptable.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Verification of Combined VR Techniques, Derivation of Future Time Equation, and Integration of LLNL Pulsed Sphere V&V Suite [Slides]

To determine whether the combination of forced-collision and DXTRAN variance-reduction (VR) techniques is unbiased, and to gain insight into the operation of these techniques, proof that first-moment estimates from Monte Carlo simulations employing both techniques are unbiased is developed. A general background on the forced-collision and DXTRAN VR techniques and their combination is given. Proof of an unbiased simulation is outlined by showing the equivalence of the history score moment equations of simulations with these techniques in use. A report with detailed proof of this equivalence is available upon request. The derivation of the future time equation using a similar approach, as well as a summary of the addition of the LLNL Pulsed Sphere experiments to the MCNP verification and validation suite, is also briefly discussed.

97 MATHEMATICS AND COMPUTING↗

Standardizing an Intermediate-Scale High Explosive Safety Test Suite

Small-scale safety testing, while successful in screening out extremely dangerous explosive compositions, does not fully characterize the explosive hazards associated with handling larger, consolidated or bare charges. It is proposed that intermediate-scale tests using consolidated charges in the range 25 mg – 1 kg are warranted to satisfactorily address the hazards. A standard for this intermediate-scale testing should be developed, proofed, peer-reviewed and adopted to assist in the development of safe new high explosive compositions across the complex. This whitepaper explains why current small-scale safety testing is insufficient to characterize the handling hazard, identifies the guiding aspects of explosive response that drive the handling hazards associated with larger consolidated charges, and proposes a suite of tests/experiments that can serve as a starting point for an intermediate-scale safety standard.

42 ENGINEERING↗

High-Temperature Creep Test Suite for Grizzly

A recent development in the Grizzly has focused on improving its ability to model the high-temperature response of alloys, enabling its use for predictive modeling of material response for advanced reactor applications. This report documents an effort to expand the example and assessment test suites in Grizzly to include a set of problems that exercise the models for high-temperature response of components relevant to advanced reactors. These problems can be used to assess the accuracy of models, provide examples for users interested in modeling this class of problems, monitoring performance on large-scale problems and as test cases for future feature development.

36 MATERIALS SCIENCE↗

Evaluation of 3D Simulation Capabilities within xRAGE using a Suite of Test Problems

This presentation describes a 3D verification and validation suite for xRAGE. Three verification test problems for hydrodynamics are presented: the Kidder ball problem, the Verney shell problem, and a 5-material compression problem. There is excellent agreement between 2D and 3D XRAGE simulation results for these problems, and between the xRAGE results and the benchmark solutions. In addition, two 3D ICF test problems are presented, based on an OMEGA direct drive capsule experiment, and on a NIF indirect drive capsule experiment. These two ICF test problems are used to evaluate two hydrodynamic methods within xRAGE. In addition to hydrodynamics the simulations also include three temperature plasma physics, thermal conduction and radiation diffusion. When simulating either capsule in 3D the newer unsplit hydrodynamic method in xRAGE produces more vorticity relative to the older default method. For the indirect drive capsule the 3D simulations are in reasonable agreement with the experimental values of ion temperature and neutron production. Unstable 3D vortex rings are present near the DT ice/carbon interface which enhance the confinement of the DT ice.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Port scanner and Testing Suite

This project addresses the challenge of identifying and managing open network ports across physical and virtual hosts. The current form of verifying ports in use required manually searching individual ports - a process that was both time- consuming and a potential bottleneck for deployment timelines. To resolve this, an automated port scanning tool was developed in Python. The tool supports simultaneous multiple port scans. To ensure functionality and long-term maintainability, a comprehensive testing suite was implemented using Python’s unittest framework. Edge cases, including valid port numbers, reversed ranges, and closed ports, were explicitly tested to ensure robust handling of real-world scenarios. The resulting tool reduces the time required to verify port security across a network, supporting both targeted and host checks and broader Classless Inter-Domain Routing (CIDR) -based network scans. This work demonstrates the value of automation and test-driven development in strengthening network security practices, and provides a foundation for future enhancements.

Rivera, Linda [Fermilab]↗

Evaluation of Sandia NCS Benchmark Suite Updates

Description of impacts to Sandia NCS benchmark suite following implementation of ENDF/B-VIII.0 nuclear data library. Presentation accompaniment to paper and abstract submission with the same titles.

Morell-Pacheco, Andres Guillermo [Sandia National ↗

WFIP3 - RHOD Site - PNNL Surface Meteorological Suit / Raw Data

This dataset contains raw data from the WFIP3 RHOD site supplementary meteorological sensors: T/RH and barometer; 1-sec average. The supplementary meteorological suite was added to PNNL Surface Flux Station to provide independent measurements of air temperature, relative humidity, and atmospheric pressure.

17 WIND ENERGY↗