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DOE OSTI2019

Status of the NEAMS and ARC neutronic fast reactor tools integration to the NEAMS Workbench

The Workbench initiative was launched in FY-2017 within the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Integration Product Line to facilitate the transition from conventional tools to high-fidelity tools. The Workbench provides a common user interface for model creation, real-time validation, execution, output processing, and visualization for integrated codes. The integration of the Argonne Reactor Computation (ARC) suite of codes into the NEAMS Workbench was initiated in FY-2017. The ARC codes contain both legacy codes like DIF3D and REBUS-3 that were developed with over 30 years of experience, and newer NEAMS additions like MC2-3, PERSENT and PROTEUS. The ARC integration into the NEAMS Workbench interface relies on the PyARC module which handles the pre- and post-processing of the native ARC codes input, and the runtime environment. The PyARC module together with the NEAMS Workbench interface are both released under Open Source Software licenses. In FY-2019, the effort focused on integrating the explicit assembly management logic of REBUS, the GAMSOR code for gamma heating transport, and of the NODAL solver of PROTEUS. Additional capabilities were also integrated in response to user requests, such as the assembly power peaking calculation and a 2D result plotting capability. For verification and demonstration purposes, the ARC codes were used through the Workbench for solving the Sodium-cooled Fast Reactor Uncertainty Analysis in Modelling (SFR-UAM) benchmark problems, including the newly proposed unit cells and ASTRID problem. Significant effort in FY-2019 focused on training new users from ANL, INL, NCSU, and Westinghouse. In particular, extensive training material was developed in the form of tutorials, including documentation, sample inputs, and associated presentations. The ARC codes are now actively used through the NEAMS Workbench by nuclear engineers at ANL, INL, NCSU, and Westinghouse, for LFR, MSR, micro-reactor, and SFR core design analyses. Future efforts will focus on adding new and existing modeling capabilities available with the ARC and NEAMS codes, training new users and supporting them to continue building user experience.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2019

Evaluation of Nondestructive Examination Responses from Chloride-Induced Stress Corrosion Cracks: Fabrication of Base Metal Test Specimens

This report documents efforts to create actual chloride-induced stress corrosion cracks (CISCCs) in stainless-steel specimens for evaluating application of nondestructive examination (NDE) technologies for detection and sizing of CISCC in stainless-steel canisters in dry storage systems (DSSs) for spent nuclear fuel. In the United States, several DSSs for commercial spent nuclear fuel are approaching the end of their initial licensed or certified term. Many of these systems were originally licensed or certified for 20 years, after which the licensing or certification may be renewed for periods up to 40 years, according to Title 10 of the Code of Federal Regulations (10 CFR), Part 72, “Licensing Requirements for the Independent Storage of Spent Nuclear Fuel, High-Level Radioactive Waste, and Reactor-Related Greater than Class C Waste.” Guidance for review of renewal applications is provided in NUREG-1927, Standard Review Plan for Renewal of Spent Fuel Dry Cask Storage System Licenses and Certificates of Compliance. A review of aging effects that could affect important-to-safety structures, systems, and components is required in renewal applications and applicants are required to address aging effects using either a time-limited aging analysis or an aging management program. The U.S. Nuclear Regulatory Commission (NRC) issued NUREG-2214, Managing Aging Processes In Storage (MAPS) Report, which provides guidance on the evaluation of known aging degradation mechanisms to determine if they could affect the ability of dry storage system components to fulfill their safety functions in the 20- to 60-year period of extended operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

The current status of inelastic and capture Gamma-ray production evaluations in translated ENDF-VIII.0 GNDS files and recommended remediation actions

This report provides the status of discrete nuclear levels and inelastic gamma-ray production for neutron induced reactions in current ENDF-VIII.0 evaluations for the isotopes in the GRIN project. Different categories of issues are identified after a comparison with information from “adopted” ENSDF files. Improvement strategies are given and recommendations are described. We have included a similar, but more limited, analysis for thermal capture data where EGAF and ENSDF thermal libraries are considered. In addition, we provide a validation plan to employ different transport code simulations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Dissimilatory Sulfate Reduction Under High Pressure by Desulfovibrio alaskensis G20

Biosouring results from production of H2S by sulfate-reducing microorganisms (SRMs) in oil reservoirs. H2S is toxic, corrosive, and explosive, and as such, represents a significant threat to personnel, production facilities, and transportation pipelines. Since typical oil reservoir pressures can range from 10 to 50 MPa, understanding the role that pressure plays in SRM metabolism is important to improving souring containment strategies. To explore the impact of pressure, we grew an oil-field SRM isolate, Desulfovibrio alaskensis G20, under a range of pressures (0.1–14 MPa) at 30°C. The observed microbial growth rate was an inverse function of pressure with an associated slight reduction in sulfate and lactate consumption rate. Competitive fitness experiments with randomly bar-coded transposon mutant library sequencing (RB-TnSeq) identified several genes associated with flagellar biosynthesis and assembly that were important at high pressure. The fitness impact of specific genes was confirmed using individual transposon mutants. Confocal microscopy revealed that enhanced cell aggregation occurs at later stages of growth under pressure. We also assessed the effect of pressure on SRM inhibitor potency. Dose-response experiments showed a twofold decrease in the sensitivity of D. alaskensis to the antibiotic chloramphenicol at 14 MPa. Fortuitously, pressure had no significant influence on the inhibitory potency of the common souring controlling agent nitrate, or the emerging SRM inhibitors perchlorate, monofluorophosphate, or zinc pyrithione. Our findings improve the conceptual model of microbial sulfate reduction in high-pressure environments and the influence of pressure on souring inhibitor efficacy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

A study of transient FGR by integral LOCA tests

A study of transient fission gas release (FGR) was performed by means of two out-of-pile LOCA tests in a hot cell facility. Irradiated fuel rod segments with lengths of roughly 80 mm and burnups of 64 MWd/kgU were subjected to simulated water-cooled reactor LOCA transients in an integral LOCA test device. The segments were heated to a maximum temperature of 1000 Celsius degrees and the increase in rod inner pressure resulting from fission gas release and increased gas temperature during the transient was measured. The first release of gas occurred at temperatures close to 450 Celsius degrees, which suggests a burst release mechanism that may be linked to the onset of grain boundary fracturing. At the end of the simulated transients, gas samples were taken from the fuel rod segments for study by gas mass spectroscopy. The transient fission gas release was measured and amount to roughly 13 % of the calculated pre-test rod inventory of Kr and Xe. Isotopic ratios of the released gas indicated that transient FGR originated from the whole pellet and not only the pellet periphery. The tested segments were also studied by light-optical microscopy to determine pellet porosity, pellet crack pattern and fuel fragmentation. The extent of fine fuel fragmentation was found to be small and limited to the periphery of the fuel. The determined amount of transient fission gas release can be added to the database of fuel rod design codes to more accurately describe the LOCA cladding strains and burst temperatures in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Introduction of plutonium systems to the nuclear criticality slide rule

AWE (UK), 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. This document, published almost 20 years ago, gives order of magnitude estimates of key parameters, such as number of fissions and doses (neutron/gamma), useful for emergency response teams and public authorities. This paper presents, firstly, the motivation and the long term objectives for this update, then it introduces the initial critical configuration, and finally it presents the preliminary results obtained with modern 3D radiation transport codes and nuclear data for new configurations including plutonium systems. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Regulatory Basis for Dry Spent Nuclear Fuel Storage Canister Inspections

Nuclear power plants in the United States began moving Spent Nuclear Fuel (SNF) from wet storage to dry storage in Independent Spent Fuel Storage Installations (ISFSIs) in 1986 at Surry station in Virginia. Dry storage represented an innovative solution to the problem created by the U.S. government's failure to fulfill its obligation to begin removing SNF from power plant sites. Today, about 70 ISFSIs have been placed into operation on the sites of current, or former nuclear power plants. There are currently over 2,200 SNF dry storage systems (DSSs) in service at these locations. Thirteen of these ISFSIs are located at sites with no operating reactor, and this number is due to increase in the coming years. Operating nuclear power stations use ISFSI storage to maintain wet storage capacity for recently discharged SNF. Permanently shutdown nuclear power plants use ISFSI storage to allow decommissioning and dismantlement of the power plant structures, systems, and components. The U.S. Nuclear Regulatory Commission (NRC) regulates the licensing, construction, and operation of ISFSIs under Title 10 of the U.S. Code of Federal Regulations, Energy, Part 72, Licensing Requirements for the Independent Storage of Spent Nuclear Fuel, High-Level Radioactive Waste, and Reactor-Related Greater than Class-C Waste (10 CFR 72). When the regulations in 10 CFR 72 were created around 1980, 20 years was chosen by the NRC as the license term for a specific ISFSI license and later, for a DSS Certificate of Compliance (CoC). Twenty years was, at the time, believed to be a sufficient time period for on-site interim dry storage of spent nuclear fuel before the U.S. government began moving the spent fuel away from the plant site for final disposal. Little, if any consideration was given to providing a regulatory framework for extending ISFSI licenses and DSS CoCs beyond 20 years at that time. However, shortly after the turn of the century, with still no federal program for removing SNF from reactor sites on the near-term horizon it became apparent that most DSSs would be required to remain in service at the ISFSIs beyond the initial 20-year license term. Operation beyond the original license term requires the specific license or the DSS CoC (used at a general license ISFSI) to be renewed. The requirements for renewal of a specific ISFSI license or a DSS CoC include addressing age-related degradation of structures, systems, and components that perform or support safety functions. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

QMCPACK v3.16.0

QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support.

Kent, Paul R. C. [Oak Ridge National Laboratory] (↗

DOE OSTI2023

QMCPACK v3.17.0

Kent, Paul R. C. [Oak Ridge National Laboratory] (↗

DOE OSTI2023

QMCPACK v3.17.1

Kent, Paul R. C. [Oak Ridge National Laboratory] (↗

DOE OSTI2022

QMCPACK v3.14.0

Kent, Paul R. C.↗

DOE OSTI2016

KLL dielectronic recombination resonant strengths of He-like up to O-like tungsten ions

Dielectronic recombination (DR) is an important process in hot plasma physics as well as in atomic structure and collision theory. This work reports the studies of the KLL DR resonance strengths of He-, Li-, Be-, B-, C-, N-, and O-like tungsten ions, through both experiment and calculation. The experimental resonance strengths were determined within uncertainty below 11% at the Shanghai electron beam ion trap by employing a fast electron beam-energy scanning technique. A fully relativistic configuration interaction method implemented in the flexible atomic code was employed to calculate DR process and also radiative recombination (RR). The consideration of the interference effect between DR and RR was revealed to be necessary to determine the resonance strength.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Codes and Standards Update: February 2019

The goal of the DOE OE Energy Storage System Safety Roadmap is to foster confidence in the safety and reliability of energy storage systems. There are three interrelated objectives to support the realization of that goal: research, codes and standards(C/S)and communication/coordination. The objective focused on C/S is "To apply research and development to support efforts that refocused on ensuring that codes and standards are available to enable the safe implementation of energy storage systems in a comprehensive, non-discriminatory and science-based manner." The following activities support that objective and realization of the goal: (a.) Review and assess C/S which affect the design, installation, and operation of energy storage systems(ESS). (b.) Identify gaps in knowledge that require research and analysis that can serve as a basis for criteria in those C/S. (c.) Identify areas in C/S that are potentially in need of revision or enhancement and can benefit from activities conducted under research and development. (d.) Develop input for new or revisions to existing C/S through individual stakeholders, facilitated task forces, or through laboratory staff supporting these efforts. The purpose of this Codes and Standards Update is to support the above activities by providing information on efforts being conducted by U.S. standards developing organizations(SDOs)and other entities that are focused on ESS safety. The information is organized relative to the scope of each document in relation to ESS from the "macro to the micro"(e.g., from overarching covering considerable scope ,to installation specific, to ESS and then ESS components). Note that more macro documents are also likely to adopt by reference more micro documents.

25 ENERGY STORAGE↗

DOE OSTI2015

FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

In this study, we describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in NN-dimensions (N ≥ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank–Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Particle transport constraints via Bayesian spectral fitting of multiple atomic lines

Optimized operation of fusion devices demands detailed understanding of plasma transport, a problem that must be addressed with advances in both measurement and data analysis techniques. In this work, we adopt Bayesian inference methods to determine experimental particle transport, leveraging opportunities from high-resolution He-like ion spectra in a tokamak plasma. The Bayesian spectral fitting code is used to analyze resonance (w), forbidden (z), intercombination (x, y), and satellite (k, j) lines of He-like Ca following laser blow-off injections on Alcator C-Mod. This offers powerful transport constraints since these lines depend differently on electron temperature and density, but also differ in their relation to Li-like, He-like, and H-like ion densities, often the dominant Ca charge states over most of the C-Mod plasma radius. Using synthetic diagnostics based on the AURORA package, we demonstrate improved effectiveness of impurity transport inferences when spectroscopic data from a progressively larger number of lines are included.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Particle transport constraints via Bayesian spectral fitting of multiple atomic lines

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Proposed Material Properties, Allowable Stresses, and Design Curves of Diffusion Bonded Alloy 800H for the ASME Code Section III Division 5

Abstract Increased interest in compact heat exchangers (CHXs) to serve as intermediate heat exchangers of very high temperature reactors resulted in significant research and development on their design, analysis, and construction. Printed circuit heat exchangers are a type of CHXs with high thermal efficiency and compactness achieved through diffusion bonding a stack of etched plates with millimeter scaled channels. The diffusion bonding process changes the microstructural and mechanical properties of the wrought metal plates. The current nonnuclear design code ASME section VIII, division 1 captures the material property change through a “joint efficiency factor.” However, the current nuclear design code ASME section III, division 5 does not address or support the diffusion bonded material properties. Hence, there is a need to develop allowable stresses, isochronous curves, and fatigue life curves for various diffusion bonded alloys. In this study, Alloy 800H material was selected to establish the diffusion bonded material properties under tension, creep, fatigue, and creep-fatigue loads at elevated temperatures in the range 550–760 °C. A set of tests on diffusion bonded Alloy 800H (DB 800H) were performed and the acquired data are used in developing allowable stresses Sy, Su, Sr, Sm, St, Smt, So, isochronous curves and fatigue life curves according to the ASME section III, division 5 requirements. This paper also presents detailed procedures used in developing the ASME code section III division 5 design provisions for diffusion bonded Alloy 800H.

Engineering↗

DOE OSTI2017

Atomic structure considerations for the low-temperature opacity of Sn

Here, we have begun a preliminary investigation into the opacity of Sn at low temperatures (< 50 eV). The emissivity and opacity of Sn is a crucial factor in determining the utility of Sn in EUV lithography, with numerous industrial implications. To this end, we have been exploring the accuracy of some approximations used in opacity models for the relevant ion stages of Sn (neutral through ~ 18 times ionized). We also find that the use of intermediate-coupling, as compared to full configuration-interaction, is not adequate to obtain accurate line positions of the important bound-bound transitions in Sn. One requires full configuration-interaction to properly describe the strong mixing between the various n=4 sub-shells that give rise to the Δn= 0 transitions that dominate the opacity spectrum at low temperatures. Furthermore, since calculations that include full configuration-interaction for large numbers of configurations quickly become computationally prohibitive, we have explored hybrid calculations, in which full configuration-interaction is retained for the most important transitions, while intermediate-coupling is employed for all other transitions. After extensive exploration of the atomic structure properties, local-thermodynamic-equilibrium (LTE) opacities are generated using the ATOMIC code at selected temperatures and densities and compared to experiment.

74 ATOMIC AND MOLECULAR PHYSICS↗