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At least 19 records

Status of SPCA-ANL Software Development, Software Quality Assurance, and Application (FY2025)

SPCA-ANL is a simulation tool used to perform deterministic analyses of sodium spray and pool fires. Development of the SPCA-II (Spray Pool Combustion Analysis) code began in the mid- 1980s as part of the Clinch River Breeder Reactor (CRBR) Project. At that time, development of SPCA-II, which was led by Rockwell International, was focused on treatment of large-scale sodium spray, stream, and pool fires that were anticipated to be prototypic of the steam generator building cells in CRBR. Under more recent DOE NE programmatic activities, the SPCA-II code was recovered from existing literature and underwent minor modifications to generate a stable executable. This recovered version of the code was not formally released. As part of the Versatile Test Reactor (VTR) Project in the 2010s, the SPCA-II code underwent key modifications to improve stability, address modeling deficiencies, improve consistency between the code manual and software, and address numerous bugs. At this point, SPCA-II was renamed SPCA-ANL. Given that SPCA-II served as the original basis for SPCA-ANL, both codes share an integrated history. Following termination of the VTR Project, the DOE NE Fast Reactor Program resumed support of the software with the goal of building and maintaining software infrastructure that can enable commercial-grade dedication of SPCA-ANL by an end user. Version 1.0, the first external release of SPCA-ANL, was generated in June 2024. This report summarizes the development and maintenance activities completed for SPCAANL in FY2025. This year’s work was focused on improving quality and usability of the code. The provisional Software Quality Assurance (SQA) program has been established and was used to test the procedures for infrastructure improvements, code development, bug fixes, and code releases, as described in the following sections of this report. A code Version 1.0.1 was released in FY25, as described in Chapter 4.

97 MATHEMATICS AND COMPUTING↗

LANL's Contribution to the Design and Preparation of the ANL Bubble Experiment #2

In collaboration with Argonne National Laboratory (ANL), Los Alamos National Laboratory (LANL) is assisting in the design and development of portions of the second ANL Bubble Experiment to be performed in late 2020 at ANL. The ANL Bubble Experiment, as called in this report, is a series of direct electron irradiations of a uranyl sulfate solution to produce radiolysis-induced gas bubbles of hydrogen and oxygen. The gas bubbles formed in the solution enhance mixing and heat transfer. The study of the dynamics, shape, and size of radiolysis-induced gas bubbles is of great importance to understand and characterize the thermal and fluid behavior of the solution, especially for the solution based, neutron-induced fission production technique for Mo-99. During the first experiment performed in 2014, ANL’s 35 MeV electron linear accelerator provided average powers of 6, 12, and 15 kW using a rastered beam to homogeneously heat the 15 x 15 x 80-cm uranyl-sulfate solution. Gas bubble size, shape, velocity, solution temperature, and hydrogen and oxygen concentrations were recorded during the irradiations. The details of the experimental setup and results for the first experiment are described in the ANL reports, Design and Construction of Experiment for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies and Experimental Results for Direct Electron Irradiation of a Uranyl Sulfate Solution: Bubble Formation and Thermal Hydraulics Studies. The purpose of this report is to describe the issues and lessons learned associated with the first experiment and elaborate on designs to improve and obtain more accurate experimental results for the upcoming experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Theory and User Manual for the Thermal Hydraulic Code SE2-ANL

A theory and user manual of thermal hydraulic code SE2-ANL was prepared in this work, to resolve the missing documentation. SE2-ANL, a special version of SUPERENERGY-2, is a multi-assembly steady-state Liquid Metal Reactor (LMR) core thermal hydraulic analysis code, and it was developed in the 1980s, but no complete documentation was ever made. This report describes the detailed methodology of the temperature calculation, inherited from (original) SUPERENERGY-2, and fuel and cladding temperature calculation capabilities as well as many other features which were incorporated in SE2-ANL. The input and output of SE2-ANL are also demonstrated in detail, using some simple models. The orificing zone capability as well as some other useful features of SE2-ANL are discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Removal of Institutional Controls at CERCLA Site ANL-01 Ditches A, B and C at the Materials and Fuels Complex

ANL-01 is a Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) site within Operable Unit (OU) 9-04 at the Materials and Fuels Complex (MFC). The ANL-01 site includes the Industrial Waste Pond and its associated ditches. Ditches A, B and C within ANL-01 were remediated in accordance with the Final Record of Decision for Argonne National Laboratory - West (DOE-CH 1998a). Due to the success of the selected and contingent remedies for the ditches and the determination that they are protective of human health and the environment, institutional controls (ICs) are no longer required and Idaho National Laboratory (INL) recommends termination of the ICs. In addition, the documentation requirements of the INL Site-wide Institutional Controls, and Operations and Maintenance Plan for CERCLA Response Actions (DOE-ID 2017) have been met to allow termination to occur.

54 ENVIRONMENTAL SCIENCES↗

High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method

It is generally challenging to obtain high-accuracy predictions for the heat of formation for species with more than a handful of heavy atoms, such as those of importance in standard combustion mechanisms. To this end, we construct the CBH-ANL approach and illustrate that, for a set of 194 alkane oxidation species, it can be used to produce ΔH f (o K) values with 2σ uncertainties of 0.2-0.5 kcal mol -1 . This set includes the alkanes, hydroperoxides, and alkyl, peroxy, and hydroperoxyalkyl radicals for 17 representative hydrocarbon fuels containing up to 10 heavy atoms with various degrees of branching in the alkane backbone. The CBH-ANL approach, automated in the QTC and AutoMech software suites, builds balanced chemical equations for the calculation of ΔH f (o K), in which the reference species may be up to five heavy atoms. The high-level ANLo and ANL1 reference ΔH f (o K) values are further refined for even the largest of these reference species with a novel laddering approach. We perform a comprehensive quantification of the uncertainties for both the individual reference species (the largest of which is 0.15 kcal mol -1 ) and the propagation of those uncertainties when used in the calculation of ΔH f (o K) for the 194 target species. Here we examine the sensitivity of the predicted ΔH f (o K) values to (i) electronic energies from various methods, including ωB97X-D/cc-pVTZ, B2PLYP-D3/cc-pVTZ, CCSD(T)-F12b/cc-pVDZ-F12//B2PLYP-D3/cc-pVTZ, and CCSD(T)-F12b/cc-pVTZ-F12//B2PLYP-D3/cc-pVTZ; (ii) the zero-point vibrational energies (ZPVEs), where we consider harmonic ZPVEs as well as two scaling-based estimates of the anharmonic ZPVEs, all implemented for both ωB97X-D/cc-pVTZ and B2PLYP-D3/cc-pVTZ calculations; (iii) the particular CBH-ANL scheme employed; and (iv) the procedure for choosing the reference conformer for the analyses. The discussion concludes with a summary of the estimated overall uncertainty in the predictions and a validation of the predictions for the alkane subset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MDDC Multi-Length Scale Data Architecture Contribution Report – PNNL, INL, ANL, LANL and ORNL

This report offers a comprehensive view of data streams currently generated at Pacific Northwest National Laboratory, Idaho National Laboratory, Argonne National Laboratory, Los Alamos National Laboratory, and Oak Ridge National Laboratory set to integrate into the evolving Multi-Dimensional Data Correlation framework at Oak Ridge National Laboratory. Developed by the Advanced Materials and Manufacturing Technologies program, the Multi-Dimensional Data Correlation framework serves as a cutting-edge software to manage data relevant to advanced manufacturing and material behavior in advanced reactors. The report defines data streams, highlights their generation methods and visualization methods both for experimental and computational aspects relevant to the Advanced Materials and Manufacturing Technologies project. A logical next step for this work is to integrate the MDDC framework into PNNL’s, INL’s, ANL’s, LANL’s and ORNL’s fabrication, experimentation, and modelling workflows. This would require setting up the MDDC framework at PNNL, INL, ANL, and LANL and integrating it into the data collection and storage for these different activities.

36 MATERIALS SCIENCE↗

FY25 Status Update on A709 Code Case Testing at ANL

This report provides an update on the status of the creep rupture testing on the precipitation-treated (PT) Alloy 709 samples fabricated from the first, the second and the third commercial heats, in support of the first, 100,000-hour Alloy 709 Code Case development under the American Society of Mechanical Engineers (ASME) Section III, Division 5 for high-temperature reactor construction. In Fiscal Year (FY) 25, no new tests were initiated, while 5 previously loaded tests were completed. This report presents an overview of the creep-rupture data gathered at Argonne National Laboratory (ANL) since FY21 that totaled 52 completed tests. Metallographic images showing crack morphologies in some representative samples ruptured in FY25 are also included. Key conclusions include: 1) the creep behavior of the three heats of Alloy 709 can be well described by the Larson-Miller relationship; 2) higher temperatures and larger stresses lead to shorter creep life and higher minimum creep rate; 3) Alloy 709 is overall very ductile under creep; 4) the crack morphologies near fracture surfaces are dependent on material’s grain size and test conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Target development using the method of High-Intensity Vibrational Powder Plating (HIVIPP) at the Center for Accelerator Target Science (CATS) at Argonne National Laboratory (ANL)

One of the primary goals of the Center for Accelerator Target Science (CATS) is to provide targets and foils in support of the ATLAS User Facility and the Low-Energy community at large. While a wide array of target production techniques are available at CATS, new methods that must be explored invariably arise. One such technique, the High-Intensity Vibrational Powder Plating (HIVIPP), was first reported in 1997 by Isao Sugai. It was developed to produce targets and stripper foils that were difficult to make by standard methods. At Argonne National Laboratory (ANL), we have successfully constructed and tested a simple system for this purpose. We have produced targets of carbon and titanium on various metal backings using the HIVIPP method. We are currently in the exciting phase of exploring the production of other elements, including isotopically enriched and radioactive material. This work is in progress and will be further detailed with specific examples.

47 OTHER INSTRUMENTATION↗

FY21 Status Report on Creep Rupture Testing at ANL to Support the Development of Alloy 709 Code Case

This report provides an update on the status of the creep rupture testing on the first commercial heat of Alloy 709 in support of the Alloy 709 Code Case development. Creep tests were performed in air on the lever-arm load frames in the Mechanical and Environmental Testing Laboratory at Argonne National Laboratory (ANL). In FY21, the focus was on the age-hardened ESR-1150°C material. Twenty two tests were initiated, among which ten were completed. This report presents the data from the completed tests. Metallographic characterization of the fractured specimens were performed and the results are included. The creep data enabled the preliminary analysis of the creep behavior of this material. The characterization showed the effect of test temperature and stress on the deformation microstructure.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Summary of FY 2024 A709 Code Case testing at ANL, INL and ORNL

A collaborative research and development effort in support of the Alloy 709 Code Case qualification in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code, Section III, Division 5, High Temperature Reactors is being carried out at Oak Ridge National Laboratory (ORNL), Idaho National Laboratory (INL), and Argonne National Laboratory (ANL). Key testing data for the Alloy 709 100,000-hr near-term Code Case submittal to ASME is expected to be completed by the end of 2024, with design parameters anticipated to be finalized in FY 2025. This report summarizes the testing results for three commercial heats of Alloy 709 conducted across three laboratories, reviews the current testing status, and outlines the remaining data needed to support the first Alloy 709 Code Case submittal to ASME. The Alloy 709 Code Case plan remains on schedule.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CACO Site - ANL Scanning Doppler Lidar / Processed Data

This dataset contains processed, standardized data from the ANL scanning Doppler lidar, consisting of range- and time-resolved measurements of radial velocity, attenuated backscatter, intensity, and spectral width. We note that the beam azimuth angles are NOT referenced to true north.

17 WIND ENERGY↗

ANL - WRF-LES - Convective - TTU

This dataset includes large-eddy simulation (LES) output from a convective atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on July 4, 2012. The dataset was used to assess the LES models for simulation of canonical convective ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

ANL - WRF-LES - Neutral - TTU

This dataset includes large-eddy simulation (LES) output from a neutrally stratified atmospheric boundary layer (ABL) simulation of observations at the SWIFT tower near Lubbock, Texas on Aug. 17, 2012. The dataset was used to assess LES models for simulation of canonical neutral ABL. The dataset can be used for comparison with other LES and computational fluid dynamics model outputs.

17 WIND ENERGY↗

ANL Design Team Analysis: Transportable Modular Reactor by Balance of Plant Elimination

HolosGen LLC is developing “Holos-Quad” a transportable gas-cooled reactor, with integral load following power conversion systems equipping subcritical power modules (SPMs), fully comprised within standard transport containers. The design eliminates the Balance of Plant (BoP) and greatly simplifies the design layout. A closed-loop full Brayton gas thermodynamic cycle converts the fuel cartridges thermal energy into electricity. This ARPA-E project utilizes advanced reactor modeling tools and manufacturing-testing of a scaled SPM equipped with a surrogate fuel cartridge to eliminate the most significant technology gaps to accelerate commercialization. The Argonne Design Team contributes to the research by demonstrating feasibility of various aspects of the Holos-Quad design by performing high-fidelity neutronic modeling, and investigating various reactivity control systems. This work consists of two main tasks: evaluation of HolosGen’s design features and alternative options study for reactivity control.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

FY23 Status Report for A709 Code Case Creep Testing at ANL

This report provides an update on the status of the creep rupture testing on the precipitation treated (PT) Alloy 709 samples fabricated from the first, the second and the third commercial heats, in support of the American Society of Mechanical Engineers (ASME) Alloy 709 Code Case development. In Fiscal Year (FY) 23, 11 new tests were initiated and 11 tests were ruptured, some of those were initiated in FY21 or FY22. This report presents the creep data and the metallographic observations on selected rupture specimens.

36 MATERIALS SCIENCE↗