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Final Reports of the 2020 Los Alamos National Laboratory Computational Physics Student Summer Workshop

For the past ten years, the workshop has been bringing a highly talented and diverse group of student every summer. Students work in teams of two, alongside typically two mentors, on research projects reflecting a broad range of topics within computational physics. In addition, students attend a series of lectures on topics within computational physics, facility tours, and networking events. The program lasts ten weeks, with this year’s workshop running from June 8 to August 14. At the end of the summer, students give a final presentation, along with a written report. Those reports are what make up the remaining sections of this document. Admission to the workshop is by a competitive process, with the mentors forming the selection committee. One of the important accomplishments of the workshop has been to create a student pipeline from diverse schools that sometimes are not normally tapped by LANL recruiting. Many workshop students maintain a continuing relationship with LANL, returning as students interns, post-doctoral researchers, and staff members. Additionally, workshop alumni act as ambassadors for LANL. The result is a wider awareness both of LANL as a potential employer, and of the technical work that happens at LANL. This year, the workshop format was changed in several ways, in order to accommodate the off-site, virtual format. Students worked on LANL virtual desktop systems remotely, also accessing LANL HPC resources. In order to facilitate communication, student were given accounts on both Webex, a video teleconferencing platform, and Mattermost, an online team collaboration and chat platform, similar to Slack. Daily communication between students and mentors was primarily on Mattermost, with Webex conferencing as needed. The lectures were all done on Webex. Given the difficulty of the virtual format, and a concern that students might have video teleconferencing burn-out after an academic semester largely moved to that format, all lectures were optional this year. In spite of this, the attendance was generally high. Lecturers were asked to try to move to a more high-level, ”What is it?,” format. Once again, the students did a tremendous job. Over the course of ten weeks, they did important research across a staggering array of disciplines. The following pages contain the final report for each team’s research efforts. We hope you will find reading them as exciting as it was for us to produce them.

36 MATERIALS SCIENCE↗

Evaluating Offshore Infrastructure Integrity

Drilling in the offshore environment involves a complex network of infrastructure including pipelines, platforms, rigs, subsea installations, ports, and terminals. Government and industry partners have developed this network over many decades and it remains a critical part of the United States (U.S.) energy portfolio. Many of the major components of this system have been designed with a 20- to 30-year lifespan, yet consistent and growing energy demands support the need to extend the design life of existing infrastructure or repurpose it for secondary needs (i.e. enhanced oil recovery, carbon storage, and new wells). As a result, a growing portion of the offshore infrastructure in the U.S. is approaching or has exceeded its original design life. A critical step in ensuring the continued safe and effective operation of offshore infrastructure is developing a comprehensive understanding of the state of offshore infrastructure and the factors that effect it. The purpose of this project is to assess the current state of existing infrastructure and identify the factors involved in infrastructure degradation through the development and application of big data analytics, machine learning, and advanced spatio-temporal analysis. The project leverages existing data at NETL and combines it with new information on offshore oil and gas structures and the ambient offshore environment in an effort to identify patterns associated with infrastructure integrity. Building on the identified trends and patterns, this project incorporates exploratory analytics and spatial analysis tools in conjunction with machine learning and statistical models to characterize the condition of existing platforms in the offshore environment and predict their risk of failure.

02 PETROLEUM↗

Matter in Extreme Conditions Upgrade (Conceptual Design Report)

The Linac Coherent Light Source (LCLS) X-ray Free Electron Laser (XFEL) is an open-access user facility that delivers ultrashort X-ray pulses that are nine orders of magnitude brighter than any prior source, able to probe the characteristics of matter with unprecedented spatial and temporal precision. The Matter in Extreme Conditions (MEC) instrument at LCLS combines the XFEL with high-power, short-pulse lasers to produce and study high energy density (HED) plasmas to develop the fundamental understanding of plasmas and matter in extreme environments. This has driven a remarkably rich array of high-profile scientific results with applications in fusion energy, isotope production, advanced materials, and medical and nuclear technology. The Matter in Extreme Conditions Upgrade (MEC-U) Project proposes a major upgrade to MEC that would significantly increase the power and repetition rate of the high intensity laser system to the petawatt level (PW, 10 15 Watts) at 10 Hz, increase the energy of the shock-driver laser to the kilojoule level (kJ), and expand the capabilities of the MEC instrument to support groundbreaking experiments enabled by the combination of high-power lasers with the world’s brightest X-ray source.

36 MATERIALS SCIENCE↗

Performance Assessment for the E-Area Low Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 1

This report documents the revised Performance Assessment (PA) analysis for the E-Area Low-Level Waste Facility (ELLWF) at the United States (U.S.) Department of Energy (DOE) Savannah River Site (SRS). A PA analysis is required for DOE-operated facilities that dispose of low-level radioactive waste. PA analyses simulate (1) the release of radionuclides from the disposal site after facility closure, (2) transport of those contaminants through the environment, and (3) exposure/impacts to potential receptors. The purpose of the PA analysis is to demonstrate that the facility is operated in a manner that ensures long-term environmental protection after facility closure, thereby providing for the protection of public health and safety in limiting doses to a hypothetical member of the public (MOP) or an inadvertent human intruder (IHI). DOE Manual (M) 435.1-1, Chg. 3, Radioactive Waste Management (U.S. DOE, 2021b) establishes quantitative post-closure environmental impact limits and requires a facility-specific PA analysis to demonstrate compliance with these limits for DOE low-level waste (LLW) disposed of after September 26, 1988. These limits are defined in terms of human health (e.g., dose limits) with respect to radioactive constituents in the waste.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 3

This chapter summarizes safety functions and features, events, and processes; conceptual models which apply to all DUs; property data packages; and modeling tools developed and implemented in this PA to analyze ELLWF performance. Conceptual models of GW flow and transport in the VZ, which are specific to type of DU, are presented in Chapter 4.

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Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 4

This chapter describes the GW flow and transport conceptual models in the VZ for both generic and special waste forms in STs, ETs, LAWV, ILV, and NRCDAs. The development and implementation of the GoldSim® system model for trenches is also introduced. The Trench System Model is used for sensitivity analysis and uncertainty quantification as reported in Chapter 6.

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Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 5

This chapter presents selected GW flow and radionuclide contaminant transport results from PORFLOW for the VZ and aquifer zone for each type of DU (STs, ETs, LAWV, ILV, and NRCDAs). Results for the nominal PA compliance case and various sensitivity cases are given. Results for the VZ include water saturation spatial profiles and radionuclide flux-to-the-water- table time profiles. Aquifer zone results include maximum concentration spatial contours; radionuclide concentration time profiles at the 100-meter POA; and peak concentrations at the 100-meter POA and time of occurrence for each modeled radionuclide.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 6

This chapter provides a description of the methods used for the sensitivity and uncertainty quantification analyses and identifies the parameters and assumptions found to be most important in the determination of compliance with PA performance objectives, development of WAC, establishment of individual DU inventory limits, and other regulatory decisions.

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Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 8

This chapter, together with Appendix H, provides the necessary CWTS inventory limits and trigger values for every parent radionuclide not screened out in Sections 2.3.6, 2.3.7, and 2.3.8. Also provided are details associated with how generic and special waste forms are handled on a DU-specific basis, and a discussion of the conversion of preliminary inventory limits (via transport runs summarized in Chapter 5) into final inventory limits for use in the CWTS limits system. Using the final inventory limits, a projected 2065 CWTS inventory is generated for use in the PA closure analysis outlined in Chapter 9.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 9

This chapter summarizes the results of PA compliance against all relevant PA POs and measures. The final inventory limits presented in Chapters 7 and 8, as well as the methodology employed, provide assurance that POs will be met throughout the compliance periods. Deterministic and stochastic closure analyses also demonstrate a minimal likelihood of exceeding POs. Potential peaks post compliance are also addressed where future work is proposed to improve the understanding in actual uncertainties.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 11

The work documented within this PA is the result of years of multidisciplinary research and modeling activities accomplished through the efforts of the individuals named in this section. Individuals who directly helped prepare this report are listed in Section 11.1; those who significantly contributed to the work described herein are acknowledged in Section 11.2.

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Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Appendix B

The total relative uncertainty, U, reported for each isotope in each waste cut is given by (Eq. 2-2) in Section 2.3.5.3. Waste Cut 1 of Container SD00003950 has a total activity of 737.990 Ci distributed among the isotopes H-3 and Am-241. Table B-1 summarizes the calculation results for the best-effort analysis example presented in Section 2.3.5.9.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗