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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Management and International Sorption Model Collaboration (M4SF-23LL010302062-NEA-TDB)

This progress report (Level 4 Milestone Number M4SF-23LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Activity Number SF-23LL01030206. The activity is focused on our long-term commitment of engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA-TDB) Project and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. A continuing focus for FY23 efforts has been to support the US participation in the NEA-TDB effort (Mavrik Zavarin replaced Cindy Atkins-Duffin on the NEA-TDB Management Board (MB) and Executive Group (EG)) and developing mechanisms for integration of NEA-TDB thermochemical data with LLNL’s SUPCRTNE thermodynamic database that supports the SFWST GDSA activities. This effort is coordinated with the Argillite work package SUPCRTNE database development efforts. The goal is to provide a downloadable database that will be hosted on a LLNL website which integrates NEA-TDB data into the LLNL SUPCRTNE database where appropriate. As part of our international activities, we continue our effort to integrate international sorption databases into L-SCIE (Zavarin et al., 2022b). We presented opportunities to include sorption in the next phase of NEA-TDB efforts at the April 2023 EG meeting in Paris. FY23 efforts focused on ensuring interoperable database development across multiple international database development activities. The overall goal is to produce an open source database that can be shared and integrated with multiple nuclear waste programs internationally and harness modern data science workflows and algorithms to incorporate these new approaches into reactive transport and performance assessment models. In collaboration with our Helmholtz Zentrum Dresden Rossendorf partners, we recently demonstrated the power of FAIR open source databases by fitting iron oxide (hydrous ferric oxide, goethite, hematite, and magnetite) protolysis constants to all available L-SCIE data. The results were submitted as a manuscript to J. Colloid Interface Science. This work will inform future metal sorption studies on a variety of iron oxides in order to discern the most appropriate acidity constants and surface complexation modeling constructs to account for pH-dependent mineral surface charge behavior. This work also explored automated surface complexation model development workflows in order to generate higher throughput model input files for a more facile incorporation into GDSA activities.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

M3SF-24LL010302062-NEA-TDB Management and International Collaborations in Sorption and Thermodynamic Modeling

This progress report (Level 3 Milestone Number M3SF-24LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Work Package Number SF-24LL01030206. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA-TDB) Project and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. A continuing focus for FY24 efforts is to support the US participation in the NEA-TDB effort. The focus of FY24 activities was the development of an agreement for a Phase 7 activity that will start in Q1 of 2025. Mavrik Zavarin is now the US representative on both the Management Board and the Executive group to the NEA-TDB. He is also the POC for the Cements State of the Art Report that is undergoing peer review in FY24. In FY24, we used our position on the NEA-TDB MB and EG to facilitate the integration of NEA-TDB thermochemical data with LLNL’s SUPCRTNE thermodynamic database that supports the SFWST GDSA activities. This effort is coordinated with the Argillite work package SUPCRTNE database development efforts (Wolery, 2024). The goal is to provide a downloadable database that will be hosted on LLNL’s thermodynamics website which incorporates NEA-TDB data into the LLNL database where appropriate. We also began engagement with the EURAD2 program that was initiated in FY24 by our European collaborators at the Karlsruhe Institute of Technology (KIT), Germany. The primary focus of the engagement is with WP20: DITUSC Thermodynamic database evaluation program. A kickoff meeting for this activity is planned for early FY25. Finally, we have been selected to co-host (with Clemson University) the International Conference on Chemistry and Migration Behaviour of Actinides and Fission Products in the Geosphere in 2025 (Migration2025). The meeting will be held September 21-26, 2025, in New Orleans, Louisiana, and will focus on international efforts to understand the risks of radionuclide releases into the environment. This central focus of this conference is on international efforts to develop safe disposal options for nuclear wastes. As such, we are developing a theme focused on US underground nuclear waste repository science.

58 GEOSCIENCES↗
DOE OSTI2020

Review of the Nuclear Energy Agency (NEA) Ancillary Thermodynamic Database (TDB) Volume (DRAFT REV. 0)

The Nuclear Energy Agency (NEA) Ancillary data volume comprises thermodynamic data of mineral and aqueous species that, in addition to Auxiliary Data (as referred to in previous NEA thermodynamic data volumes), is necessary to calculations of chemical interactions relevant to radioactive waste management and nuclear energy. This SAND report is a review of the NEA Ancillary data critical reviews volume of thermodynamic data parameters. The review given in this report mainly involves data comparison with other thermodynamic data assessments, analysis of thermodynamic parameters, and examination of data sources. Only new and updated data parameters were considered in this review. Overall, no major inconsistencies or errors were found as allowed by the comparisons conducted in this review. Some remarks were noted, for example, on the consideration of relevant studies and/or comparisons on the analysis and retrieval of thermodynamic data parameters not cited in the respective sections.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

A NEA review on innovative structural materials solutions, including advanced manufacturing processes for nuclear applications based on technology readiness assessment

The Nuclear Energy Agency (NEA) Expert Group on Innovative Structural Materials (EGISM) was established in 2008 under the guidance of the Nuclear Science Committee (NSC). Its objectives are to conduct joint and comparative studies to support the development, selection and characterisation of innovative structural materials that can be implemented in advanced nuclear fuel cycles, under long service lifetime and extreme conditions, such as high temperature, high dose/dose rate and corrosive chemical environments. In this context of growing interest and initiatives, the EGISM initiated at the beginning of 2018 an activity among its members to: Identify, in a non-exhaustive way, the currently existing programs on innovative materials and fabrication processes in NEA member countries and China; Establish a first cartography of the activities that are underway on these topics and identify common subjects and thematic; Propose a Technology Readiness Level scale to estimate the maturity of both innovative materials and fabrication processes; Carry out a reflection on what the enablers are to quickly climb this TRL scale, as well as the obstacles, in order to identify solutions to overcome them. This paper first gives definitions shared between the EGISM members on what are considered as advanced structural materials solutions. Next, some international initiatives for the accelerated development of high performance materials are presented both in non-nuclear and nuclear fields. Then, the methodology adopted for technology readiness assessment is explained. A non-exhaustive synthesis of the projects identified among the EGISM members on innovative structural materials and advanced manufacturing solutions such as additive manufacturing is presented. The TRL level of these projects is evaluated. A focus is also made on some of these projects to illustrate and explain the TRLs chosen as well as highlighting enablers or obstacles identified to climbing up the TRL scale.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Overview of the OECD-NEA Working Party on International Nuclear Data Evaluation Cooperation (WPEC)

The OECD Nuclear Energy Agency (NEA) Working Party on International Nuclear Data Evaluation Cooperation (WPEC) was established in 1989 to facilitate collaboration in nuclear data activities. Over its thirty year history, different Subgroups have been created to address topics in nearly every aspect of nuclear data, including: experimental measurements, evaluation, validation, model development, quality assurance of databases and the development of software tools. WPEC has recently completed activities on fission yield evaluation, the general nuclear database structure (GNDS) to replace the ENDF-6 format, methods to provide feedback to evaluation, studies of specific capture cross sections, new methods in thermal scattering kernel evaluation and the Collaborative International Evaluated Library Organisation (CIELO) Pilot Project. Ongoing activities in GNDS application programming interface (API) development, methods for covariance evaluation and quality assurance in nuclear data validation using the International Criticality Safety Benchmark Evaluation Project (ICSBEP) database are complemented by the work of two Expert Groups that oversee the High-Priority Request List (HPRL) for Nuclear Data and the continuous development of the GNDS. New activities on the use of integral experiments for nuclear data validation and adjustment, as well as the use of the Shielding Integral Benchmark Archive and Database (SINBAD) for validation have begun and will be coordinated alongside future Subgroups. After three decades we will review the status of WPEC, how it integrates other collections and activities organised by the NEA and how it dovetails with the initiatives of the IAEA and other bodies to effectively coordinate international activities in nuclear data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

RELAP5-3D Solutions to Exercise 1 of the OECD-NEA HTTF Benchmark

Discussion of RELAP5-3D solutions to Exercise 1 of the OECD-NEA High Temperature Test Facility (HTTF) Benchmark. Results from ongoing benchmark activities supported by the Advanced Reactor Technologies - Gas-Cooled Reactor Program with use of the High Performance Computing Center at Idaho National Laboratory. Also discussion of Ultra Safe Nuclear Corporation and BWXT plans for the decade, and issues of modern thermal hydraulic tools for prismatic HTGR modeling. Open discussion of verification and validation and ART-GCR campaign to spearhead the development of an HTGR thermal hydraulics benchmark based on the HTTF.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

NEA HTTR LOFC Project Test#3 Benchmark Results

In the second half of FY23, the High Temperature Engineering Test Reactor (HTTR) Loss Of Forced Cooling (LOFC)#3 data for the 9 MW test case with Vessel Cooling System (VCS) off were made available through the Nuclear Energy Agency (NEA) LOFC project framework; the neutronic model developed for the initial test (LOFC#1) achieved a satisfactory level of maturity, demonstrating its accuracy in predicting power evolution and core re-criticality, but LOFC#3 should be used primarily to investigate thermal hydraulic phenomena, as the reactor was shut down prematurely due to overheating in the upper reactor components, which prevented re-criticality; this report focuses on advancing the HTTR thermal hydraulic model to accurately simulate the LOFC#3 scenario, including simulating the LOFC#3 benchmark and generating the corresponding benchmark specifications, aiming to ensure consistency across participant models and provide essential data for future participants, including private industry stakeholders seeking to validate their computational tools.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Comparison of URANS and LES predictions for the open phase of the OECD NEA CSNI fluid structure interaction CFD benchmark

The OECD NEA CSNI WGAMA CFD Task Group ran a benchmark in 2020 and 2021 to assess the predictive capabilities of coupled fluid structure interaction (FSI) CFD analysis methods. This paper presents the predictions made for the open phase of the benchmark using URANS and LES turbulence modelling approaches, and a comparison of the results to the experimental data. The benchmark comprised a channel containing two inline cylinders in cross-flow. The cylinders were fixed at one end, free at the other, and had measured resonant frequencies and damping properties. The URANS modelling used ANSYS Fluent 2-way coupled to ANSYS Mechanical. The LES modelling used Nek5000, 1-way coupled to Diablo. Comparisons with cross-channel velocity profiles are presented, both for the mean flow and its RMS. Comparisons are also made to the frequency spectra for point measurements of fluid velocity and pressure, and for the accelerations of the free end of each cylinder. URANS predicts the average velocity profiles relatively well, and is able to predict the velocity and acceleration spectra at the shedding frequency. However, the frequency content at the 4th harmonic of the shedding frequency is low in the URANS flow fields, and so does not excite accelerations at the resonant frequency of the cylinders. LES makes better predictions of the average profiles, and the velocity spectra agree well at both the shedding frequency and at higher frequencies. In conclusion, the 1-way coupled LES results show good agreement for acceleration spectra.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Update on NEA-TDB Database Development and Database Formatting Tool

This progress report (Level 4 Milestone Number M4SF-21LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Activity Number SF-21LL01030206. The activity is focused on our long-term commitment of engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA TDB) Project (Cindy Atkins-Duffin) and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. LLNL is supporting the overall objectives of the Disposal Research (DR) Crystalline International Collaborations Research and Development (R&D) control account. The objective of this control account is to advance our understanding of long-term disposal of spent fuel in crystalline rocks (including both granitic and metamorphic rocks) and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

M4SF-22LL010302062-NEA-TDB and Sorption DataBase Development

This progress report (Level 4 Milestone Number M4SF-22LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Activity Number SF-22LL01030206. The activity is focused on our long-term commitment of engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA-TDB) Project (Cindy Atkins-Duffin, Mavrik Zavarin) and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Engagement opportunities in OECD NEA benchmark development

A myriad of opportunities is available to collaborate via international benchmark exercises and experimental data preservation activities. Many such opportunities abound under the auspices of the Nuclear Science Committee of the Organisation for Economic Co-operation and Development Nuclear Energy Agency (NEA). Key projects and activities of relevance to the development of advanced reactors design include the International Criticality Safety Benchmark Evaluation Project (ICSBEP), the International Reactor Physics Experiment Evaluation Project (IRPhEP), the International Assay Data of Spent Nuclear Fuel Database (SFCOMPO), the Shielding Integral Benchmark and Archive Database (SINBAD), and The International Experimental Thermal HYdraulicS Database (TIETHYS), and various cooperative benchmark exercises. Interested participants are encouraged to contact the leadership and secretariat of the various Technical Working Groups and Working Parties to become more engaged. This paper provides a summary of the current benchmark exercises and experimental databases available for international participation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

RELAP5-3D in the OECD-NEA HTGR Thermal Hydraulics Benchmark

The OECD-NEA HTGR Thermal Hydraulics benchmark uses data from the High Temperature Test Facility for a series of code-to-code and code-to-data exercises aimed at improving the state of knowledge on existing thermal hydraulics modeling and simulation tools for prismatic HTGR applications. This benchmark includes problems representing hot gas mixing in the lower plenum, the depressurized conduction cooldown accident and the pressurized conduction cooldown accident. This presentation discusses the benchmark and RELAP5-3D's role in that benchmark, including as a tool for predicting behavior in the core and as a tool for providing boundary conditions to computational fluid dynamics analysis in the lower plenum.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

The 0E2 benchmarks for PWR UO 2 decay heat: an analysis from the NEA WPNCS

This paper presents the work performed in the subgroup 16 of the Working Party for Nuclear Criticality Safety (WPNCS) of the OECD Nuclear Energy Agency. The main goal was to define two decay heat benchmarks for Spent Nuclear Fuel (one pincell and one assembly), perform calculations and compare and analyze the results in light of existing calorimetric measurements. The selected case is the PWR UO2 assembly 0E2, irradiated at the Ringhals-3 reactor and measured at the Clab facility in Sweden. In total, 21 institutes worldwide participated to the exercise, leading to 55 calculated results (named C). It was found that the measured decay heat values (E) can be satisfactorily reproduced with two-dimensional assembly calculations, leading to an average C/E value of 0.99, with an uncertainty (or one standard deviation) of ±0.01.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Effect of activation temperature on quantum efficiency and lifetime of NEA truncated nanocone array GaAs photocathode

This study investigates the quantum efficiency (QE) and operational lifetime of a negative electron affinity GaAs truncated nanocone array (TNCA) photocathode benchmarked against a conventional flat GaAs photocathode under varying activation temperatures. The TNCA structure demonstrated a QE of up to 13.6% at 590 nm with room temperature (RT) activation—approximately 1.5 times higher than its flat counterpart. This enhancement is due to Mie resonance effects within the nanostructure, as confirmed by finite-difference time-domain simulations. Moreover, the TNCA photocathode exhibits significantly extended charge lifetime, with enhancement factors of ∼6.1 and ∼19.8 under RT and 50 °C activations, respectively. These gains are primarily attributed to increased effective surface area and optimized dipole layer formation at elevated temperatures. In addition, shorter excitation wavelengths further contribute to lifetime improvements. These findings underscore the TNCA GaAs photocathode’s potential as a high QE, long lifetime electron source for many large-scale electron accelerators.

Cs-NF3 activation↗
DOE OSTI2025

NEA HTTR LOFC Project Test#2 Benchmark Results

The High Temperature Engineering Test Reactor (HTTR) is a 30 MW prismatic high-temperature gas-cooled reactor (HTGR) owned and operated by the Japan Atomic Energy Agency (JAEA). Staring in 2010, HTTR was used in a series of three loss of forced cooling (LOFC) tests without SCRAM to demonstrate the inherent safety of HTGRs.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

An introduction to Spent Nuclear Fuel decay heat for Light Water Reactors: a review from the NEA WPNCS

This paper summarized the efforts performed to understand decay heat estimation from existing spent nuclear fuel (SNF), under the auspices of the Working Party on Nuclear Criticality Safety (WPNCS) of the OECD Nuclear Energy Agency. Needs for precise estimations are related to safety, cost, and optimization of SNF handling, storage, and repository. The physical origins of decay heat (a more correct denomination would be decay power) are then introduced, to identify its main contributors (fission products and actinides) and time-dependent evolution. Due to limited absolute prediction capabilities, experimental information is crucial; measurement facilities and methods are then presented, highlighting both their relevance and our need for maintaining the unique current full-scale facility and developing new ones. The third part of this report is dedicated to the computational aspect of the decay heat estimation: calculation methods, codes, and validation. Different approaches and implementations currently exist for these three aspects, directly impacting our capabilities to predict decay heat and to inform decision-makers. Finally, recommendations from the expert community are proposed, potentially guiding future experimental and computational developments. One of the most important outcomes of this work is the consensus among participants on the need to reduce biases and uncertainties for the estimated SNF decay heat. If it is agreed that uncertainties (being one standard deviation) are on average small (less than a few percent), they still substantially impact various applications when one needs to consider up to three standard deviations, thus covering more than 95% of cases. The second main finding is the need of new decay heat measurements and validation for cases corresponding to more modern fuel characteristics: higher initial enrichment, higher average burnup, as well as shorter and longer cooling time. Similar needs exist for fuel types without public experimental data, such as MOX, VVER, or CANDU fuels. A third outcome is related to SNF assemblies for which no direct validation can be performed, representing the vast majority of cases (due to the large number of SNF assemblies currently stored, or too short or too long cooling periods of interest). A few solutions are possible, depending on the application. For the final repository, systematic measurements of quantities related to decay heat can be performed, such as neutron or gamma emission. This would provide indications of the SNF decay heat at the time of encapsulation. For other applications (short- or long-term cooling), the community would benefit from applying consistent and accepted recommendations on calculation methods, for both decay heat and uncertainties. This would improve the understanding of the results and make comparisons easier.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗