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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗
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 OSTI2024

MACCS User Guide (V.5.0)

MACCS is used by the Nuclear Regulatory Commission (NRC) and various national and international organizations for probabilistic consequence analysis of nuclear power accidents. This user guide is intended to assist analysts in understanding the MACCS/MACCS-UI User Interface (UI) model and to provide information regarding the code. This user guide version describes MACCS Version 5.0, model history, explains how to set up and execute a problem, and informs the user of the definition of various input parameters and any constraints placed on those parameters. This report is part of a series of reports documenting MACCS. Other reports include the MACCS Theory Manual, MACCS Verification Report, Technical Bases for Consequence Analyses Using MACCS, as well as documentation for preprocessor codes including SecPop, MelMACCS, and COMIDA2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Report on New and Upgraded National User Facilities in Basic Energy Sciences

On December 1, 2023, the Director of the of the Office of Science (SC) charged all the Department of Energy Office of Science Federal Advisory Committees to respond to look toward the scientific horizon and identify what new or upgraded facilities will best serve the SC community needs in the next ten years (2024-2034). This report by the Basic Energy Sciences Advisory Committee (BESAC) assess facilities for the Basic Energy Sciences (BES) program.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2024

Report of the FESAC Facilities Construction Projects Subcommittee

On December 1, 2023, the Director of the of the Office of Science (SC) charged all the Department of Energy Office of Science Federal Advisory Committees to respond to look toward the scientific horizon and identify what new or upgraded facilities will best serve the SC community needs in the next ten years (2024-2034). This report by the Fusion Energy Sciences Advisory Committee (FESAC) assess facilities for the Fusion Energy Sciences (FES) program.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Heracles: Predictive Tools for Opioid Crisis Intervention - m/q Initiative Project Report

The opioid crisis in the United States is being fueled primarily by fentanyl and its molecular analogs, which can be anywhere from 50 to 1,000 times more potent than morphine. Fentanyl itself is straightforward to synthesize; furthermore, the structure is such that fentanyl’s flexible, rotatable side chains are easy to modify to create new analogs. Reference-free computational techniques to predict and identify new fentanyls have the potential to provide a desperately needed preemptive advantage to regulatory stakeholders and toxicologists. The computational pipeline Heracles was developed with this preemptive advantage in mind. Heracles has two primary components: 1) the creation of an in silico library of putative fentanyl analogs, and 2) a downselection pipeline to prioritize generated fentanyl analogs predicted to be potent and easy to synthesize. Experimental observables were also predicted for prioritized analogs, with validation of the observables begun. Heracles has demonstrated potential to aid in the advancement of reference-free paradigms while providing new tools to first responders and other stakeholders attempting to mitigate the opioid crisis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Library of Advanced Materials for Engineering (LAMÉ) 5.22

Accurate and efficient constitutive modeling remains a cornerstone issue for solid mechanics analysis. Over the years, the LAMÉ advanced material model library has grown to address this challenge by implementing models capable of describing material systems spanning soft polymers to stiff ceramics including both isotropic and anisotropic responses. Inelastic behaviors including (visco)plasticity, damage, and fracture have all incorporated for use in various analyses. This multitude of options and flexibility, however, comes at the cost of many capabilities, features, and responses and the ensuing complexity in the resulting implementation. Therefore, to enhance confidence and enable the utilization of the LAMÉ library in application, this effort seeks to document and verify the various models in the LAMÉ library. Specifically, the broader strategy, organization, and interface of the library itself is first presented. The physical theory, numerical implementation, and user guide for a large set of models is then discussed. Importantly, a number of verification tests are performed with each model to not only have confidence in the model itself but also highlight some important response characteristics and features that may be of interest to end-users. Finally, in looking ahead to the future, approaches to add material models to this library and further expand the capabilities are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mitigation for Removal of Building 01-103 in the Area 1 Subdock, Nevada National Security Site, Nye County, Nevada

Building 01-103, the Drill Bit Repair Building was originally recorded as SHPO Resource No. B18848 in 2020 during an architectural survey of the Area 1 Subdock (Collins et al. 2022). It was recommended individually eligible for listing in the NRHP under Criteria A and C and contributing to the significance of the Area 1 Subdock Historic District. The SHPO concurred with these determinations in a letter dated April 29, 2022 (Reed 2022). The Drill Bit Repair Building retains all seven aspects of integrity. The location, materials, workmanship, feeling, and association have not changed since its original construction. The design was modified slightly in 1996 with the addition of a removable and non-destructive chain-link fence. Nearby buildings 01-101 and 01-102 were removed (Collins and Menocal 2020) but the other buildings and storage yards remain. Therefore, the integrity of setting has been changed, but not to the degree that the building no longer conveys its significance (see Figures 4 and 5 for comparison). Building 01-103 was constructed in 1985 to coincide with the relocation of the Area 3 Subdock to Area 1. The design for the new Subdock provided a centralized cluster of buildings surrounded by two large storage yards. The buildings included administrative and engineering office space, warehouses, a radiograph building, and Building 01-103 as the drill bit maintenance and repair building, among others. The Drill Bit Repair Building was critical to the success of underground nuclear testing and is eligible under Criterion A for its contribution to broad patterns of history by maintaining specially designed equipment for underground nuclear testing at the NNSS. It is also eligible under Criterion C as it is the only recorded example of a facility built specifically for the maintenance of big-hole drill bits on the NNSS. As it retains both significance and integrity, it remains individually eligible under Criteria A and C. In addition to its individual significance, the Drill Bit Repair Building also contributes to the significance of the Area 1 Subdock Historic District as a representative of a big-hole drilling support facility necessary for underground nuclear testing. The building and the equipment therein were designed specifically for testing at the NNSS, where much of the early technology and methods for big-hole drilling were developed. Its removal will result in not only the demolition of a contributing element but also a change in the physical features of the district’s setting that contribute to its historic significance. The change in setting will diminish the district’s integrity. However, the district still contains numerous examples of other buildings constructed for the purpose of supporting big-hole drilling and remains eligible under Criteria A and C.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Mitigation for Removal of Building 01-202681 in the Main Storage Yard of the Area 1 Subdock, Nevada National Security Site, Nye County, Nevada

The Main Storage Yard was originally recorded as SHPO Resource No. S2772 in 2020 during an architectural survey of the Area 1 Subdock (Collins et al. 2022). It was recommended individually eligible for listing in the NRHP under Criteria A and C and as contributing to the significance of the potential Area 1 Subdock Historic District. The SHPO concurred with these determinations in a letter dated April 29, 2022 (Reed). The Main Storage Yard retains all seven aspects of integrity. The location, design, materials, workmanship, feeling, and association have not changed since the original construction. Since the purpose of the yard is to maintain storage equipment that is actively being used, the design and feeling will change each time equipment is moved. Such actions reinforce the integrity of design and feeling. Buildings 01-101 and 01-102 were removed (Collins and Menocal 2020), but the other buildings and storage yard remain. Therefore, the setting has been changed, but not to the degree that the Main Storage Yard no longer conveys its significance (see Figures 4 and 5 for comparison). The Main Storage Yard was designed to facilitate the relocation of the Area 3 Subdock to Area 1 in 1985. The design for the overall Subdock provided a centralized cluster of buildings surrounded by two large storage yards. While the North Storage Yard largely serves as overflow storage, the Main Storage Yard holds the majority of drill rigs and drilling equipment needed to support big hole drilling. The Main Storage Yard and its contents were essential elements of the nuclear testing drilling program on the NNSS thus making it eligible for the NRHP under Criterion A for its contribution to broad patterns of history by storing specially designed equipment for underground nuclear testing at the NNSS. It is also eligible under Criterion C as it is an engineered landscape that now serves as an open-air repository of drilling technology and nuclear testing. In addition to its individual significance, the Main Storage Yard also contributes to the significance of the Area 1 Subdock Historic District as it showcases a variety of big-hole drilling equipment, support facilities, and warehouses that were specially designed for nuclear testing at the NNSS. Despite the demolition of two contributing elements to date, the district still contains numerous examples of other facilities with the purpose of supporting big-hole drilling; therefore, the district still remains eligible under Criteria A and C.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

FAIR Framework for Physics-Inspired Artificial Intelligence in High Energy Physics (Final Report)

The FAIR4HEP project was a collaboration between Argonne National Laboratory, University of Illinois Urbana-Champaign, Massachusetts Institute of Technology, University of Minnesota, and University of California San Diego funded by the US Department of Energy, Office of Science, Office of Advanced Scientific Research (ASCR) from 2020 to 2024. The primary focus of the FAIR4HEP project was to advance our understanding of the relationship between data and artificial intelligence (AI) models by exploring relationships among them through the development of findable, accessible, interoperable, and reusable (FAIR) frameworks. Using high-energy physics (HEP) as the science driver, this project developed a FAIR framework to advance our understanding of AI, provide new insights to apply AI techniques, and provide an environment where novel approaches to AI can be explored. This final report summarizes the accomplishments of the University of Illinois group.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

PMDT: AI-Enabled Predictive Maintenance Digital Twins for Advanced Nuclear Reactors

Our team made substantial technical progress on various fronts during the course of the program. Multiple milestones were geared towards demonstrating the feasibility of machine learning based predictive maintenance digital twins towards reducing O&M costs, whereas some other milestones actually focused on identifying technical gaps and developing technologies such as humble AI to provide necessary robustness to the ML-based models. We were able to demonstrate in many cases that Machine learning-based methods can be successfully adapted for Nuclear plant environments especially for remote monitoring applications. Detailed analyses were carried out with plant and full scope simulation data along with capabilities of enhanced analytics to assess and set realistic expectations on cost reductions in O&M. These assessments are paving the way for investments towards reactor design improvements as well project planning for SMR projects as they develop and mature in the next few years. Technology developed under this program got direct visibility to GE Hitachi and their utility customers and resulted in positive intents to deploy some of the elements from design phase. The project additionally resulted in several reports, publications, software and data generation that will be useful in deployment and O&M services for BWRX300 fleets.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Report series: finding of effect and mitigation documentation for the mercury solar photovoltaic array and battery energy storage system, area 23, nevada national security site, nye county, nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) proposes to install solar photovoltaic (PV) power generation arrays and an associated battery energy storage system (BESS) for the town of Mercury at the Nevada National Security Site (NNSS) in Nye County, Nevada (Figure 1). The purposes of the development of this facility are to support long-term efforts to modernize Mercury and to provide energy-resilient infrastructure and address climate adaptation needs. Because it is within the boundary of the Mercury Historic District (MHD), it is subject to the terms of the Programmatic Agreement Between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada (hereafter referred to as the Mercury PA). An identification and evaluation report prepared for this undertaking determined that a contributing element to the MHD, the Mercury airstrip (26NY15777), is within the APE (Haynes 2024). The Mercury airstrip was developed following the closure of Camp Desert Rock in 1957 and used until late 1963 or 1964 when the Camp Desert Rock Airport was renovated, and the Mercury Bypass road constructed. The town of Mercury and the immediate surrounding area have been determined eligible for listing in the National Register of Historic Places (NRHP) as the MHD (SHPO Resource No. D230) under Criteria A and C for its importance in supporting nuclear testing and scientific research from 1951 through 1992 (Reed 2019). Originally recorded in 2016, 26NY15777 was determined individually not eligible for listing in the NRHP because it lacked sufficient integrity to convey its significance (Palmer 2016). It was subsequently determined in 2018 to be a contributing element of the MHD in an architectural survey of the district (Palmer 2018) and identified in Appendix C of the Mercury PA as a Category I contributing element. However, as per Stipulation IV.B.2, because the airstrip had already been formally evaluated and determined not to be individually eligible for the NRHP in consultation with the SHPO, this categorization was an error. NNSA/NFO reported this to the SHPO in Haynes 2024 and the SHPO concurred on June 11, 2024 (Reed). Accordingly, the airstrip is a Category II Property for the purposes of complying with the Mercury PA. The Mercury airstrip is a historic property for the purposes of compliance with Section 106 of the National Historic Preservation Act (NHPA) and subject to the stipulations of the Mercury PA.

25 ENERGY STORAGE↗
DOE OSTI2024

COG User's Manual: A Multiparticle Monte Carlo Transport Code (Sixth Edition)

COG is a high-resolution code for the Monte Carlo simulation of coupled particle transport in arbitrary 3-D geometry. COG will transport neutrons, protons, deuterons, alpha particles with energies up to hundreds of GeV, and photons with energy ranges limited by the available cross section sets and physics models. Electrons can be transported via the EGS5 electron transport kernel, electrons can also be transported. The COG code is a significant upgrade from earlier Monte Carlo transport codes and has been written specifically to make it more versatile, accurate, and easy to use. COG has provisions for calculating deep penetration (shielding) problems, criticality problems, and neutron activation problems while retains all of the standard capabilities found in other Monte Carlo transport codes. COG uses high-resolution pointwise cross-section databases and makes no compromises in the transport physics, so that the results of a COG run are limited only by the accuracy of the databases used. COG runs primarily on Linux Operating System workstations with MPICH software installed – currently, Red Hat 7 & 8, Windows 10 (Windows Subsystem for Linux –WSL), Ubuntu 16, 18 & 20, OpenSUSE Leap 15.2, Fedora 32, Apple Power Mac with Intel CPU (with MacPorts installed) workstations, and LLNL LC supercomputer CTS-1 cluster with TOSS 3 are supported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Library of Advanced Materials for Engineering (LAMÉ) (V.5.24)

Accurate and efficient constitutive modeling remains a cornerstone issue for solid mechanics analysis. Over the years, the LAMÉ advanced material model library has grown to address this challenge by implementing models capable of describing material systems spanning soft polymers to stiff ceramics including both isotropic and anisotropic responses. Inelastic behaviors including (visco)plasticity, damage, and fracture have all incorporated for use in various analyses. This multitude of options an

36 MATERIALS SCIENCE↗
DOE OSTI2025

EPICS2025: Informal Status Report

This will be my (D.E.Cullen) final EPICS report. I am now 85 years old, and it is time for me to pass these data files on to the next generation to maintain. Here I will concentrate on documenting the history of the EPICS data files (how we got here) and where I think/suggest we should be headed into the future (where we are going). Where we actually go is of course entirely in the hands of and based on the decisions of whoever inherits these data files.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗