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DOE OSTI2020

Materials and Fuels Complex Five-Year Investment Strategy (FY2020-FY2024)

The Department of Energy Office of Nuclear Energy (DOE-NE) mission is to provide the research, development, and demonstration (RD&D) foundation to extend the lives of the current operating reactor fleet, develop the next generation of nuclear reactors, and provide integrated nuclear fuel cycle solutions. The Materials and Fuels Complex (MFC) serves as the foundation of a nuclear RD&D enabling test bed at Idaho National Laboratory (INL) and is an integral part of a National Reactor Innovation Center (NRIC) strategy. MFC facilities focus on developing and maintaining RD&D capabilities that can increase research throughput, reduce barriers to deployment, and facilitate commercialization of new ideas and technologies for clean and secure sources of energy. This document is a complimentary document to the Materials and Fuels Complex Five-Year Mission Strategy FY-20 – FY-24 (INL/EXT-20-57224) that defines specific implementation strategies for increasing research capability and throughput through targeted investments in research facilities, research instruments, and research staff. Refer to INL/EXT-20-57224 for details about MFC, its capabilities, and the overall mission strategy for the Materials and Fuels Complex.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Safety Functions and Features, Events and Processes for the E-Area Performance Assessment

The DOE Technical Standard, “Disposal Authorization Statement and Tank Closure Documentation,” (DOE 2017) recommends the use of safety functions and features, events and processes (FEPs) to support development of conceptual models and identification of scenarios to be considered in a performance assessment (PA). The FEP process provides a means to describe how a PA considers and addresses the factors that could influence the performance of key barriers. Understanding the roles of barriers in terms of limiting migration helps to focus on how changes in the system could lead to a situation where those roles cannot be fulfilled and there is the potential for compromised performance. The FEPs screening and review process was used to identify FEPs that are relevant for the EArea Low-Level Waste Facility (LLWF) and specifically those FEPs that could have a detrimental impact on the effectiveness of a given safety function. For this PA, a default list of FEPs developed at the International Atomic Energy Agency (IAEA 2004) and an approach implemented for PAs at the Hanford and Idaho sites (Mehta et al. 2016, DOE-ID 2019) are used to identify processes and events that could influence the effectiveness of a given safety function for the E-Area LLWF (e.g., subsidence can impact the safety function of the cover system and lead to increased infiltration). The Hanford and Idaho PAs represent two of the most recent applications of this approach. The PA evaluates the potential impacts of changes in performance of different features of the system and demonstrates that the safety functions represent multiple and redundant barriers. Barrier analyses, assuming a safety function is not present, also test the robustness of the system in the event of the loss of one or more safety functions. Such evaluations also support a qualitative illustration of the concept of defense in depth. The safety concept for closure of the E-Area LLWF (generically referred to as “E-Area”) encompasses a variety of different features (i.e., administrative controls, natural site features, and engineered barriers) that reduce the potential impacts on human health and the environment from the residual waste that will remain after closure. These features can be represented as a collection of safety functions acting independently and as a system to provide for overall safety. In some applications, there have been attempts to assign numerical expectations to specific safety functions, but that is not the intent in this case. The concept of safety functions is used more qualitatively in two ways for this PA: 1. To illustrate the robustness of the E-Area design, operational practices and closure approach by documenting features that are and are not credited in different modeling cases. 2. To identify the roles of the different features and potential processes and events that could compromise the performance of safety features and need to be considered when developing the modeling approach. This report addresses both safety functions and FEPs for the E-Area PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Methane generation rates from Tank 50 simulant with methylmercury containing saltstone grout solids

This report documents the tests performed to address the requirements listed in the Technical Assistance Request, which resulted in a Test Plan to obtain the required information. To that end the results are documented herein to determine the capacity, and reaction time, for methylmercury (MeHg) contained within Tank 50 salt solution simulant (T50SS) to produce methane when mixed with saltstone dry feed ingredients, as individual components (cement, slag cement, and fly ash) or a combination of those components.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Sierra/SolidMechanics 4.56 Theory Manual

Presented in this document are the theoretical aspects of capabilities contained in the Sierra/SM code. This manuscript serves as an ideal starting point for understanding the theoretical foundations of the code. For a comprehensive study of these capabilities, the reader is encouraged to explore the many references to scientific articles and textbooks contained in this manual. It is important to point out that some capabilities are still in development and may not be presented in this document. Further updates to this manuscript will be made as these capabilities come closer to production level.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Sierra/SolidMechanics 4.56 User's Guide: Addendum for Shock Capabilities

This is an addendum to the Sierra/SolidMechanics 4.56 User's Guide that documents additional capabilities available only in alternate versions of the Sierra/SolidMechanics (Sierra/SM) code. These alternate versions are enhanced to provide capabilities that are regulated under the U.S. Department of State's International Traffic in Arms Regulations (ITAR) export control rules. The ITAR regulated codes are only distributed to entities that comply with the ITAR export control requirements. The ITAR enhancements to Sierra/SM include material models with an energy-dependent pressure response (appropriate for very large deformations and strain rates) and capabilities for blast modeling. This document is an addendum only; the standard Sierra/SolidMechanics 4.56 User's Guide should be referenced for most general descriptions of code capability and use.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Sierra/SolidMechanics 4.56 Capabilities In Development

This user's guide documents capabilities in Sierra/SolidMechanics which remain "in-development" and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 4.56 User's Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as peridynamics and the reproducing kernel particle method (RKPM), numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

SIERRA Code Coupling Module: Arpeggio User Manual - Version 4.56

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested in coupled applications via simple examples of its usage.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Preliminary Analysis of Postclosure DPC Criticality Consequences

One of the objectives of the United States (U.S.) Department of Energy's (DOE) Office of Nuclear Energy's Spent Fuel and Waste Science and Technology Campaign is to better understand the technical basis, risks, and uncertainty associated with the safe and secure disposition of spent nuclear fuel (SNF) and high-level radioactive waste. Commercial nuclear power generation in the U.S. has resulted in thousands of metric tons of SNF, the disposal of which is the responsibility of the DOE (Nuclear Waste Policy Act 1982). Any repository licensed to dispose the SNF must meet requirements regarding the longterm performance of that repository. For an evaluation of the long-term performance of the repository, one of the events that may need to be considered is the SNF achieving a critical configuration. Of particular interest is the potential behavior of SNF in dual-purpose canisters (DPCs), which are currently being used to store and transport SNF but were not designed for permanent geologic disposal. A two-phase study has been initiated to begin examining the potential consequences, with respect to longterm repository performance, of criticality events that might occur during the postclosure period in a hypothetical repository containing DPCs. Phase I, a scoping phase, consisted of developing an approach intended to be a starting point for the development of the modeling tools and techniques that may eventually be required either to exclude criticality from or to include criticality in a performance assessment (PA) as appropriate; Phase I is documented in Price et al. (2019). The Phase I approach guided the analyses and simulations done in Phase II to further the development of these modeling tools and techniques as well as the overall knowledge base. The purpose of this report is to document the results of the analyses conducted during Phase II. The remainder of Section 1 presents the background, objective, and scope of this report, as well as the relevant key assumptions used in the Phase II analyses and simulations. Subsequent sections discuss the analyses that were conducted (Section 2), the results of those analyses (Section 3), and the summary and conclusions (Section 4). This report fulfills the Spent Fuel and Waste Science and Technology Campaign deliverable M2SF-20SN010305061.

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DOE OSTI2020

A Comparison of the Environmental Effects of Open-Loop and Closed-Loop Pumped Storage Hydropower

Pumped storage hydropower (PSH) capabilities are generally characterized as either open-loop or closed-loop. The U.S. Department of Energy (DOE) defines open-loop PSH as “continuously connected to a naturally flowing water feature,” and closed-loop PSH as “not continuously connected to a naturally flowing water feature.” All the PSH projects constructed in the United States to date are open-loop, so the potential environmental effects of closed-loop systems are not as well documented as the effects of open-loop systems. To address this knowledge gap, the DOE Water Power Technologies Office, under its HydroWIRES Initiative, has prepared this report to: (1) compare the potential environmental effects of open-loop PSH projects with those of closed-loop PSH projects; (2) describe how these effects are being avoided, minimized, or mitigated at existing projects in other countries and proposed projects in the United States; and (3) discuss the relative significance of the environmental issues. The report begins with a brief introduction on the current status of PSH development in the United States. Next, the report describes the current Federal Energy Regulatory Commission (FERC) hydropower licensing process, emphasizing some recent regulatory changes that affect closed-loop PSH development. The report then provides a summary comparison of the environmental effects of constructing and operating open-loop and closed-loop PSH systems and discusses the relative significance of those issues. This comparison and discussion are based on the results of a literature review and a review of FERC licensing records. The literature review includes journal articles, technical reports, and presentations on the environmental effects of PSH systems. It includes literature from the United States as well as countries where closed-loop PSH projects have been constructed. The FERC records review examines the FERC licensing record (e.g., National Environmental Policy Act documents and license orders) to identify the environmental effects anticipated and mitigation measures proposed for six of the closed-loop PSH projects currently licensed or permitted in the United States. For comparison, the FERC records review also discusses the environmental effects and mitigation measures for four open-loop PSH projects proposed or currently operating in the United States. The comparison of effects between open-loop and closed-loop projects is relative; that is, it characterizes the impacts of each project type as generally lower or higher than another project type. The comparison reflects general trends among project types because there are sometimes exceptions to the examples cited. The comparison is based on both spatial (location) and temporal (duration) factors and reflects both the severity and likelihood of effects. The report concludes that the environmental effects of closed-loop PSH projects are generally lower (i.e., more localized and of shorter duration) than those of open-loop PSH projects because they are located “off-stream,” minimizing aquatic and terrestrial impacts, and often have greater siting flexibility than open-loop PSH projects. For certain closed-loop project designs, however, impacts to groundwater may be higher relative to open-loop projects and should be considered in any environmental review.

13 HYDRO ENERGY↗
DOE OSTI2020

Baseline Postirradiation Examination of the FUTURIX-FTA Experiments

Postirradiation Examination (PIE) results from the baseline examination of the FUTURIX-FTA irradiation experiment are presented in this report. The FUTURIX-FTA irradiation was designed to study the fuel performance of candidate transmutation fuels. The FUTURIX-FTA experiment was conducted in the true fast neutron spectrum conditions of the Phénix sodium fast test reactor in France. FUTURIX-FTA contained several compositions that were also irradiated as part of the AFC-1 test in cadmium filtered positions in the Idaho National Laboratory (INL) Advanced Test Reactor (ATR) that approximate the neutron spectrum of a fast reactor. This experiment was a joint collaboration between the Department of Energy (DOE) in the U.S. and the Commissariat á l'Energie Atomique et aux Energies Alternatives (CEA) in France. A joint agreement between DOE and CEA was established in 2004 to conduct an irradiation experiment of metallic and nitride fuels in the Phénix reactor at CEA. Both the FUTURIX-FTA tests and the AFC-1 tests were conducted for the DOE Advanced Fuels Campaign (AFC) that is part of Fuel Cycle Research & Development (FCRD) program. These programs seek to develop and demonstrate the technologies needed to transmute long-lived transuranic actinide isotopes contained in spent nuclear fuel via fast reactor technology. The long term goal of this work is to reduce the radiotoxicity of future high level waste repositories. Post-irradiation examination of irradiated fuels experiments provides data related to in reactor fuel performance and input into future fuel design choices. The compositions of the FUTURIX-FTA pins were designed to test if minor actinides could be incorporated into the fuel of a fast reactor without significantly changing fuel performance observed for previously well studied fuels. The fuel performance of metallic fuel in fast reactors has been well documented. Likewise the irradiation performance of nitride fuels in fast reactors has also been documented. However the existing database for nitride fuels is much smaller than the database for metal fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Waste Compliance and Tracking System (WCATS) User Guide (Release 2)

This manual has been written to provide a general reference of the usage of WCATS. Because WCATS is designed to be used at many different kinds of facilities, much of the usage of the application is driven by the metadata configuration of the system. General usage of the system and the different types of tasks provided is included in this document, but custom usage and an exhaustive list of configuration options will not be provided. This manual is not intended to be a replacement for detailed work procedures or desk instructions, and it will not include configuration details such as service unit names, waste stream numbers for selection, etc. Any use of such information in this document is only provided as an example.

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DOE OSTI2020

LANL Critical Benchmark Comparison Study and Subsequent Revision

As part of an international collaboration within the DOE Nuclear Criticality Safety Program (NCSP), LANL is involved in a comparison study to quantify differences in k-effective results from neutron transport simulations of critical benchmark experiments. The DOE NCSP Mission and Vision details the activity in which the French Institut De Radioprotection et De Sûreté Nucléaire (IRSN) leads the study with LANL and in conjunction with ORNL and LLNL to compare results of various neutron transport codes and nuclear data libraries to compute k-effective for ICSBEP benchmarks held in common by the entities. This report documents results obtained through partial completion of the overall effort with a focus on the changes made to LANL benchmarks modeled with MCNP6 using ENDF/B-VII.1 nuclear data that appeared to have discrepant results when compared with results of other codes. The feedback received through participation in the comparison collaboration has prompted an effort to review particular input files for benchmarks and revise when necessary. This report documents the results of review and revision of specific benchmarks highlighted as possibly discrepant in the comparison study. In addition, this effort prompted a new collaboration between LANL XCP and NCS Divisions in the development of a shared review/revision procedure and use of a new benchmark repository.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Analysis of the Frequency of Extreme Precipitation Events at Los Alamos National Laboratory

The Environmental Protection and Compliance (EPC) Storm Water Permitting and Compliance Program is currently updating its stormwater compliance standards for the Los Alamos National Laboratory (LANL) Engineering Standards Manual (2015) and is addressing the required current meteorological data needed for storm water applications. Information on the frequency of extreme precipitation events at LANL is needed. In response to this request, LANL Meteorology & Air Quality (MAQ) was tasked to estimate the frequency of extreme precipitation events. An earlier study by Foley (2012) which estimated extreme precipitation rates at LANL for a set of duration periods and average recurrence intervals (return periods) was evaluated. However, it was determined that this study would not be helpful since its technical support documentation was unavailable and the meteorological data and the methodology employed were not well understood. This led to the need to develop a new peer-reviewed methodology. This report documents the development of the new methodology and the application of a temporally representative precipitation dataset from February 1990 through December 2018, monitored at the official LANL meteorological station, Technical Area (TA)-6, to develop the frequency of extreme precipitation events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Uncertainty analysis of Resource Demand Model for Covid-19

As part of the Department of Energy response to the novel coronavirus pandemic of 2020, a modeling effort was sponsored by the DOE Office of Science. One task of this modeling effort at Sandia was to develop a model to predict medical resource needs given various patient arrival scenarios. Resources needed include personnel resources (nurses, ICU nurses, physicians, respiratory therapists), fixed resources (regular or ICU beds and ventilators), and consumable resources (masks, gowns, gloves, face shields, sedatives). This report documents the uncertainty analysis that was performed on the resource model. The uncertainty analysis involved sampling 26 input parameters to the model. The sampling was performed conditional on the patient arrival streams that also were inputs to the model. These patient arrival streams were derived from various epidemiology models and had a significant effect on the projected resource needs. In this report, we document the sampling approach, the parameter ranges used, and the computational workflow necessary to perform large-scale uncertainty studies for every county and state in the United States.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Argonne’s global critical materials agent-based model (GCMat)

Several studies have identified rare earths as critical materials. Although reasonably abundant in the Earth’s crust, rare earths typically occur in low concentrations of mined ores. Processes for recovering rare earth concentrates from these ores are complex and capital intensive. Further, lead times for deposit development, licensing, and construction are long, with reports of 10- 15 years. China is a major player in the rare earths supply chain, both in production capacity and technology innovation. In 2017, China supplied more than 80% of global rare earth oxide demand. Rare earth elements (REEs) have unique magnetic, catalytic, and phosphorescent properties that significantly improve performance of a wide range of technologies. These technologies span aerospace, energy, telecommunications, electronics, transportation, defense, and other diverse applications. Consequently, disruptions in rare earth supply can have a significant societal impact. Estimating that impact requires understanding of the dynamics across the supply chain, from rare earth oxide extraction to end use application. This report documents Argonne’s Global Critical Materials model (GCMat), first described by Riddle et al. 2015. GCMat provides capabilities to explore supply chain dynamics and uncertainty under scenarios of demand growth or shrinkage, technology adoption, supply disruptions, and trade policies and mitigation strategies of new supply sources, product substitution, consumer thrifting, and stockpiling. Supply chain participants from rare earth mining through final demand are modeled as interacting agents who make market decisions independently as time progresses. Since the version documented in Riddle et al. 2015, GCMat has been expanded to cover additional REEs, derived products and supply chains that use these REEs, and includes new agent behaviors and modeling capabilities. Section 2 provides a summary of the GCMat model design, including the structure of the model and key assumptions, section 3 summarizes methods used for model calibration and sensitivity analysis, and section 4 provides examples of model results.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Development of Innovative Measurement Techniques for Fission Product Transport Quantification

This document provides the progress of a research project at Texas A&M University (TAMU), led by Idaho National Laboratory (INL), in support of the Versatile Test Reactor (VTR) program and work scope area of gas-cooled fast reactors. The VTR TAMU INL project started in October 2018. The document includes the main objectives of the project, scaling analysis applied to the experimental facilities, experimental methodology including instrumentation and techniques applied, and up-to-date results from the experimental and numerical studies.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

TRT Compton Scattering Data: Comparisons between LLNL and LANL: Pointwise

This memo is one of a pair of reports comparing Compton scattering data in the context of thermal radiation transport (TRT). This document focuses on Pointwise (PW) data while the other report focuses on Multigroup (MG) data. These complementary analyses, via PW comparisons, show if the same physics are used and if fundamental bugs are present, and, via MG comparisons, quantify macroscopic Compton effects such as mean amplification factors. No averaging of Compton data over photon energy is done for the PW comparisons, while lab-dependent numerical resolution choices become relevant for the MG comparisons. This document plots and quantifies differences in PW Compton scattering data between LANL and LLNL for four disparate temperatures on a logarithmically-spaced energy grid. PW comparisons means we use the received LLNL data as-is, without any averaging or integration over energy. In addition to LANL-to-LLNL comparisons, we investigate the impact of numerical choices on LANL PW data. For the purposes of this comparison, we neglect induced scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Trinity Observations

Various historical documents which record the observations of various scientists who observed the Trinity Test in southern New Mexico. The documents are contemporaneous with the test.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗