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Effect of Impurity Atoms on Thermonuclear Yield

The presence of impurity atoms in an inertial confinement fusion (ICF) implosion can greatly affect the burning of the thermonuclear fuel. This is a serious concern for attaining ignition as high atomic number atoms, such as carbon, can mix into the hot spot and reach the deuterium–tritium (DT) fuel, absorb energy from the implosion, and radiate away that energy. The temperature of the DT fuel drops and reduces the reactivity of the fuel resulting in lower thermonuclear yield. Fuel impurities can also be a useful diagnostic as when higher-Z atoms, such as Ar, Kr, and Xe, are purposefully mixed into the fuel. From the spectra emitted by these atoms, the temperature and density of the fuel can be deduced. The long history of using such tracer atoms by the national ICF program shows the great advances in experimental technique, diagnostic instruments, and atomic-physics modeling over the past 50 years. A particular set of experiments, the “High-Z” campaign, is reviewed in depth as this was the most systematic study of tracer element composition and quantity ever reported. Difficulties in interpreting the results of those experiments due to the limited code capabilities at that time are discussed. A main concern for the High-Z campaign was the then current state of non-Local Thermodynamic Equilibrium (nLTE) atomic physics models. The present state of nLTE modeling and its implementation in Los Alamos’s multi-physics codes is discussed in this report. To further the understanding of the complex interaction of high-Z atoms in the gas, a survey of relevant existing experimental platforms at the National Ignition Facility (NIF) and the Omega Laser Facility are presented along with the current state of pertinent diagnostics at NIF and Omega. This review concludes with a discussion of the trade-off available between temperature and volume of the imploded ICF capsule with the goal of maximizing the total yield.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SR19036 - Improve TRP Cutter Head Performance

The current Target Rod Preparation (TRP) Cutter Head suffers from overheating problems during TPBAR breaching operations. The overheating leads to work stoppage due to the periodic need to allow the TRP Cutter Head motor to cool. This work stoppage and allowance for cooldown of the motor leads to a very inefficient TPBAR breaching process. Due to the increased need for Tritium gas, the system must be improved to increase the efficiency of the TPBAR breaching process.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Vadose Zone Model for U-10 West Area for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Transport Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vadose Zone Model for S Farms Area for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed "dry" in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chloiine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thmium-230 (Th-230). The simulation time struts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP) simulator, officially named the exascale Subsurface Transport Over Multiple Phases ( eSTOMP), is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user's guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User 's Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the P2R model. The rates will be summed over the 100 by 100 m P2R grid cells that fall within the vadose zone model source domain.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vadose Zone Model for B-3A/B Pond for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort; carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP) simulator officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP), is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the P2R model. The rates will be summed over the 100 by 100 m P2R grid cells that fall within the vadose zone model source domain. The Hanford Site Central Plateau was subdivided into 26 individual vadose zone models, with 13 in the 200 East Area and 13 in the 200 West Area. Waste sites that have a completed performance assessment (PA) or past-leak analysis were not included as sources of radionuclides. Instead the vadose zone to groundwater transfer rates of the Environmental Restoration Disposal Facility, Integrated Disposal Facility, US Ecology, and Waste Management Area C (WMA C) PAs and the past-leak analysis for WMA C were used as direct input to the P2R model. Each of the vadose zone models is documented in separate environmental calculation files (ECFs). This ECF describes the B-3A/B Ponds model. The scope of this ECF is to document the development and results of the B-3 A/B Ponds vadose zone model. CP-63515, Model Package Report: Central Plateau Vadose Zone Models, describes the approach, assumptions, process of determining the number of models required and domain of each model, input data, and processing common to all the models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vadose Zone Model for REDOX Ponds Area for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vadose Zone Model for SALDS for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037,Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed "dry" in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Vadose Zone Model for T Farms Area for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-51031,Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed "dry" in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (1-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Functional Photoresists for Energy Applications. Final Report

Monolithic ultralow-density porous bulk materials have recently attracted much interest due to many emerging applications in the areas of catalysis, energy storage and conversion, and thermal insulation. They are also important components of high energy density (HED) and inertial confinement fusion (ICF) targets. However, despite tremendous progress that has been made in the synthesis of porous materials, deterministic and independent control over microscopic architecture, density and composition remain key issues, and their integration in high precision devices requires cost and time-intensive mechanical machining that not only reduces reproducibility by generating debris but also limits the complexity of the 3D shapes that can be realized. In this project, we overcame these limitations by developing a universal templating capability that provides deterministic and independent control over density, composition, architecture, and macroscopic sample shape. This was achieved by developing the technology to 1) 3D print ultrahigh resolution, ultra-high precision polymeric micro-lattice templates, 2) coat these templates with the desired materials, and 3) removing the template (Fig. 1a). Atomic layer deposition (ALD) provides the atomic scale coating thickness accuracy required for precisely controlling density. While this templating approach had been demonstrated in prior work, limitations in suitable photoresists, 3D print technologies, print design, and template removal techniques did not allow the fabrication of millimeter-sized high-precision parts with sub-micron resolution. To enable this technology, we developed 1) two-photon polymerization (TPP) print designs that enable the fabrication of millimeter-sized, mechanically robust polymeric templates with sub-micron resolution and 2) a continuum level TPP printing simulation capability for additional print design guidance; 3) atomistic models to study photoresist polymerization kinetics and network topography, 4) refractive index matched polymeric and preceramic TPP photoresists, and 5) functional TPP photoresists including porous voxel structures and self-immolative polymer photoresist chemistries; and 6) damage free template removal techniques that enable the fabrication of defect-free high-precision low-density foam components. We also developed a templating approach for pure carbon microlattices with a unique tube-in-tube ligament morphology. As a test platform, we pursued the fabrication of foam liners that promise to further increase the neutron yield in indirect drive ICF experiments by improving implosion symmetry control and coupling between the laser and the deuterium-tritium fuel. This application requires fabrication and integration of a ultra-high precision, millimeter-sized, thin-walled (200-400 micrometer thick), low-density (10-30 mg/cc), high atomic number (high Z) cylindrical foam tube into the gold hohlraum of an indirect drive ICF target (Fig. 1b). While our hohlraum liner test case will mainly find application in HED and ICF experiments, the underlying science will also directly apply to previously developed nanoparticle and additive manufacturing technologies and will advance those techniques as well.

36 MATERIALS SCIENCE↗

Applied Science Investigations to Facilitate Closure of the F-Area and H-Area Seepage Basins

This report provides a roadmap of applied science studies that will facilitate reaching long term monitoring end state corrective actions for groundwater contamination at the F-Area Seepage Basins and the H-Area Seepage Basins at the Savannah River Site in Aiken, SC. The F-Area and H-Area Seepage Basins are waste units on the Savannah River Site in Aiken, SC at which low-level radioactive solutions were disposed into unlined basins, resulting in groundwater contamination. The current contaminants of interest in the groundwater are tritium, iodine-129, strontium-90, uranium isotopes and nitrate. Remediation at both sites has continued since 1988, consisting of closure and capping of the basins, operation of a groundwater pump-and-treat system from 1997 to 2004, and replacement of this system with a comprehensive in situ attenuation-based remedy. This report was requested by the U.S. Department of Energy - Office of Environmental Management in consultation with the Savannah River National Laboratory and Savannah River Nuclear Solutions - Area Completions Projects to provide a scientific basis for proactively addressing groundwater issues that may need to be resolved prior to final corrective actions at the F-Area and H-Area Seepage Basins.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Calculation Of The First Moment Of Energy Using D-T Reactivity Formalisms Under The Maxwell-Boltzmann Distribution--Part II

Nuclear fusion science is an example of a scientific field with a rich history of expert involvement and scientific publications, which together, form an expert-knowledge base. One example of a nuclear fusion formalism is the utilization of published reaction rates from a variety of authors. Investigators for Deuterium- Tritium (D-T) ion fusion can choose from using frequently cited methods: the Bosch and Hal reactivity, thermonuclear reaction rates from Caughlan and Fowler, and the reactivity evaluation from Miley, Towner & Ivich which forms the basis of the Naval Research Lab (NRL) formulary. There are other choices available. Each of the reactivity formulations considered here, are based upon the Maxwell-Boltzmann velocity distribution for D-T fusion ion reactants. Numerical methods for computer codes simulating hot, energetic plasmas, include tabulations of the reactivity, and the first moment of energy. This report continues the step toward building understanding of nuclear fusion reactivity formalisms. It is part of a series of reports with the same goal, [5-10] and is the continuation of the Part I paper for defining the mathematical relationship of the first moment of D-T fusion ion kinetic energy, <$E$>, with the fusion cross-section, fusion reactivity and its derivative with ion-temperature. In Part I, three variants of the first moment <$E$> were analytically developed and explored: 1) constant cross-section, 2) a normalized first moment, and 3) a particular function of the first moment from Brysk. In Part II, attention is given to the definition of <$K$>, originally described as a ratio of moments from Brysk, and its relationship to the first moment definitions from Part I. One measure of the progress made in these documents is the identification that Brysk’s ratio of the second moment to the first moment ratio, <$K$>, does not correspond to his provided solution of the first moment of energy. Another measure of (our) progress from this work is the comparison of first moment variants. That comparison includes confirming the importance of cross sections defined in terms of energy. The analytical relationships we have developed among important physics quantities are useful tools in validation and verification (V&V). For example, we can calculate the kinetic energy as a mean or as a first moment, or as a function of the first moment. These analytically-determined values can be compared directly with numerically-determined values, supplied to the authors, representing <$E$>.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Vadose Zone Model for SALDS for Composite Analysis

The objectives of the vadose modeling for the updated Hanford Site composite analysis (CA) are to simulate the flow and transport of water and radionuclide releases from the surface to the water table and to provide radionuclide transfer rates for the plateau to river (P2R) model, version 8.3 (CP-57037, Model Package Report: Plateau to River Groundwater Model, Version 8.3). Water additions include natural recharge and water discharged to the ground as a result of industrial processes associated with Hanford Site operations. Contaminant sources include radionuclides in water discharged to the ground during operations and radionuclides disposed “dry” in solid waste burial grounds or other means. The following 16 radionuclides were selected for this modeling effort: carbon-14 (C-14), chlorine-36 (Cl-36), tritium (H-3), iodine-129 (I-129), neptunium-237 (Np-237), rhenium-187 (Re-187), strontium-90 (Sr-90), technetium-99 (Tc-99), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), uranium-238 (U-238), radium-226 (Ra-226), and thorium-230 (Th-230). The simulation time starts in 1943 and ends at 12070, which is 10,000 years after assumed Hanford Site closure in 2070. The parallel version of the Subsurface Transport Over Multiple Phases (STOMP1) simulator, officially named the exascale Subsurface Transport Over Multiple Phases (eSTOMP) is used to simulate flow and transport for the vadose models. The documentation for the STOMP code is comprehensive. The theoretical and numerical approaches applied in the STOMP code are documented in a published theory guide (PNNL-12030, STOMP Subsurface Transport Over Multiple Phases Version 2.0 Theory Guide). The code has undergone a rigorous verification procedure against analytical solutions, laboratory-scale experiments, and field-scale demonstrations. The application guide (PNNL-11216, STOMP Subsurface Transport Over Multiple Phases Application Guide) provides instructive examples in the application of the code to classical groundwater problems. The user’s guide (PNNL-15782, STOMP: Subsurface Transport Over Multiple Phases Version 4.0: User’s Guide) describes the general use, input file formatting, compilation, and execution of the code. The primary output of the vadose zone modeling is radionuclide transfer rates to the groundwater for input into the P2R model. The rates will be summed over the 100 by 100 m P2R grid cells that fall within the vadose zone model source domain. The Hanford Site Central Plateau was subdivided into 26 individual vadose zone models, with 13 in the 200 East Area and 13 in the 200 West Area. Waste sites that have a completed performance assessment (PA) or past-leak analysis were not included as sources of radionuclides. Instead the vadose zone to groundwater transfer rates of the Environmental Restoration Disposal Facility, Integrated Disposal Facility, US Ecology, and Waste Management Area C (WMA C) PAs and the past-leak analysis for WMA C were used as direct input to the P2R model. Each of the vadose zone models is documented in separate environmental calculation files (ECFs). This ECF describes the State-Approved Land Disposal Site (SALDS) model. The scope of this ECF is to document the development and results of the SALDS vadose zone model. CP-63515, Model Package Report: Central Plateau Vadose Zone Models, describes the approach, assumptions, process of determining the number of models required and domain of each model, input data, and processing common to all the models.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Predictive Contaminant Transport Simulation with the P2R Model for the Composite Analysis Base Case

In order to meet the requirements of U.S. Department of Energy (DOE) in DOE O 435.1 Chg. 1, Radioactive Waste Management, a composite analysis (CA) must be completed for the Central Plateau at the Hanford Site. The updated Hanford Site CA requires estimates of fate and transport of radionuclides in the groundwater from multiple sources within and downgradient of the Central Plateau. Numerical simulations using the MT3D-MST computer code were conducted to evaluate the fate and transport of existing distributions of 16 radionuclides as identified in CP-62184, Hanford Site Composite Analysis: Radionuclide Selection for Groundwater Pathway Evaluation: tritium (H-3), carbon-14 (C-14), chloride- 36 (Cl-36), strontium-90 (Sr-90), technetium-99 (Tc-99), rhenium-187 (Re-187), radium-226 (Ra-226), thorium-230 (Th-230), uranium-232 (U-232), uranium-232 (U-232), uranium-233 (U-233), uranium-234 (U-234), uranium-235 (U-235), uranium-236 (U-236), neptunium-237 (Np-237), and uranium-238 (U- 238). This document details the application of the P2R Model version 8.3 to predict the fate and transport of contaminants in groundwater on the Central Plateau for the 10,052 year simulation to support the CA. The simulation of fate and transport of contaminants reported in this environmental calculation file (ECF) will support dose predictions as part of the updated Hanford Site CA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Extension of OpenMC for Fixed Source Transmutation Calculations

This report documents work performed under a Strategic Partnership Project between Argonne National Laboratory (ANL) and the United Kingdom Atomic Energy Authority (UKAEA). The overall goal of this project is to extend OpenMC [1], a community-developed Monte Carlo particle transport code, to be able to perform fixed-source transmutation calculations. In fission and fusion reactors, the high flux of energetic neutrons causes materials within the reactor to “transmute,” or undergo a nuclear reaction that results in the addition/removal of neutrons and protons from the nucleus of an atom. If subjected to these reactions for long enough, the overall composition and physical properties of the material itself begin to change as a result of transmutation. Such a feature is vital for predicting the decrease in tritium production rate within a breeder blanket during the lifetime of a fusion reactor. OpenMC is capable of simulating neutron transport in fission/fusion systems, thereby allowing it to estimate the flux that causes transmutation. It is also capable of solving the transmutation equations, which determine how the composition of a material changes over time due to neutron irradiation and radioactive decay. However, solving the transmutation equations was previously only possible when the source of neutrons came from a fission system. In a fusion system, the source of neutrons is typically determined by a separate code and then given as an input to the particle transport simulation. This is known as a fixed source calculation. Through this project, we have extended OpenMC to solve the transmutation equations for a fixed source calculation. Evaluating the change in material compositions due to transmutation and its effect on physical properties is of key importance to a range of engineering analyses for fission and fusion systems. For example, in a fusion reactor, estimating the dose rate at different physical locations resulting from irradiated materials in the reactor allows designers to ensure that workers are not exposed to doses beyond applicable regulations. In order to properly dispose of irradiated materials, designers also need to estimate the radiotoxicity, which again relies on knowledge of the material composition at some future time. The specific tasks for this project that were agreed to between ANL and UKAEA were as follows: 1. Make changes and additions in the openmc.deplete and related modules in OpenMC to support transmutation calculations following a fixed source transport simulation. 2. Make necessary changes to OpenMC to model transmutation due to an arbitrary set of reactions needed for fusion applications. Use this new capability to generate a depletion chain file based on the TENDL nuclear data library. 3. Improve the openmc.deplete module in OpenMC to keep track of gases produced as a by-product of nuclear reactions during transmutation calculations. 4. Validate the new capabilities by carrying out fixed-source transmutation calculations on a suitable benchmark problem using OpenMC and a comparable Monte Carlo neutron transport code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nevada National Security Site 2019 Waste Management Monitoring Report Area 3 and Area 5 Radioactive Waste Management Sites

Environmental monitoring data are collected at and around the Area 3 and Area 5 Radioactive Waste Management Sites (RWMSs) within the Nevada National Security Site (NNSS). This report summarizes the 2019 environmental data to provide an overall evaluation of RWMS performance and to support environmental compliance and performance assessment (PA) activities. Some of these data (e.g., radiation exposure, air, and groundwater) are presented in other reports (Mission Support and Test Services, LLC 2019, 2020a, 2020b). Direct radiation monitoring data indicate exposure levels at the Area 3 and Area 5 RWMSs are within the range of background levels measured at the NNSS. Slightly elevated exposure levels outside the Area 3 RWMS are attributed to nearby historical aboveground nuclear weapons tests. Air monitoring data at the Area 3 and Area 5 RWMSs show that tritium concentrations in water vapor and americium and plutonium concentrations in air particles are below Derived Concentration Standards for these radionuclides. Groundwater monitoring data indicate the groundwater in the uppermost aquifer beneath the Area 5 RWMS is not impacted by RWMS operations. Results of groundwater analysis from wells around the Area 5 RWMS are below established investigation levels. Leachate samples collected from the leachate collection systems at the Area 5 mixed low-level waste disposal unit are below established contaminant regulatory limits. During 2019, precipitation at the Area 3 RWMS was 77 percent above average, and precipitation at the Area 5 RWMS was 69 percent above average. Water balance measurements indicate that evapotranspiration from the vegetated weighing lysimeter at the Area 5 RWMS dries the soil and prevents downward percolation of precipitation more effectively than evaporation as measured from the bare-soil weighing lysimeter. Vadose zone monitoring in the Area 3 and Area 5 RWMS soil covers shows no evidence of precipitation percolating through the covers to the waste. Moisture from precipitation did not percolate below 120 centimeters (3.9 feet [ft]) in the vegetated final cover on the U-3ax/bl disposal unit at the Area 3 RWMS during 2019. There was no drainage through 2.4 meters (8 ft) of soil as indicated from the Area 3 drainage lysimeters that received only natural precipitation. At the Area 3 RWMS, which received three times the natural precipitation, 57 percent of the applied precipitation and irrigation drained from the bare-soil drainage lysimeter. All 2019 monitoring data indicate that the Area 3 and Area 5 RWMSs are performing within expectations of the model and parameter assumptions for the facilities’ PAs.

2019↗

Evaluation of Ammonia Discharge into PUREX Crib 216-A-37-1 and Nitrogen Species Fate in the Subsurface

Based on published data, this report identifies potential fate and transport mechanisms for the ammonium hydroxide condensate that was discharged to 216-A-37-1 Crib from Hanford fuel rod decladding before PUREX dissolution and separation operations. Crib 216-A-37-1 received 377 million liters of alkaline condensate discharged from March 1977 through April 1989. The following major processes were identified as controlling the ammonia (NH 3 ) fate and transport: 1. Liquid migration rates through the vadose zone 2. NH 3 microbial oxidation to nitrite and nitrate 3. Ammonia species [NH4 + , NH 3 (aq)] sorption to sediments 4. NH3 precipitation reactions after pH buffering occurs in sediments The travel time through the vadose zone was estimated to be 2.5 to 9 months during periods of high subsurface discharge rates. These travel times are based on tritium migration through the vadose zone, a co-contaminant also discharged to the 216-A-37-1 crib.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The Next Breakthroughs in Neutrino Physics (LDRD Final Report)

The neutrino is an important fundamental particle, one of the building blocks of the universe. Abetter understanding of the neutrino will answer questions regarding the origin of mass, the matter and anti-matter asymmetry of the universe, and the nature of dark matter. The nation's research community has recognized that the answers to these and other questions are within reach and has assigned neutrino experiments the highest priority for both nuclear and particle physics programs. We are investigating three aspects of neutrino experimentation: detection techniques, target materials, and data analysis. Our efforts targeted multiple applications including experiments to measure neutrinoless double-beta-decay, neutrino-oscillation and neutrino mass. Our research objectives include (1) developing approaches that make detectors scalable to larger sizes and insensitive to background signals; (2) increasing the signal strength and reducing noise from targets; and (3) efficiently distinguishing background noise from signals during analysis. In this LDRD we have advanced all of these areas. We have demonstrated the scale up of a metal organic framework that can adsorb xenon directly from the air that will allow for large neutrino detectors made from xenon. We have studied the use of Cherenkov radiation to reduce the signal backgrounds. We demonstrated the cracking of hydrogen to make atomic tritium for neutrino mass measurements, and lastly we demonstrated the benefits of machine learning techniques to improve signal to noise during analysis

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Summary of 2020 edge-plasma modeling for FNSFand plans for 2021

This year, following the study of liquid-wall options, our edge-plasma modeling has returned to analyzing issues associated with a solid tungsten-wall, Fusion Nuclear Science Facility (FNSF)-size device, primarily using the 2D UEDGE plasma/neutral transport code. The focus is to predict plasma/neutral heat and particle fluxes to various wall components and determine the concentration of injected and wall-sputtered impurities that reach the core plasma region. Our models have been advanced in a number of areas compared to the initial modeling done in the 2017 timeframe: this year we include each individual charge-state of impurity ions instead of assuming a fixed concentration of impurities relative to the deuterium-tritium (DT) fuel plasma, including the interaction between inner and outer divertor legs. Here edge fueling of the impurity and pumping in the private-flux region is incorporated. Increasingly detailed atomic-physics rate files for impurity radiation have been compared, as well as the role of molecules. The impact of spatial variation of the turbulence-driven radial plasma transport is considered to contribute to the understanding of the heat-flux-limit effects of choosing a double-null or single-null divertor configuration. Detailed plasma/neutral wall fluxes, densities, and temperatures have been provided to the ERO group for their more detailed studies of wall sputtering and near-surface impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗