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Coupling of MCNP and ABAQUS for Reactor Multiphysics (MARM) [Slides]

Summer 2021 Internship Objectives: Learn MCNP (Monte Carlo N-Particle) transport code - Unstructured Mesh & Burnup Features, and Implement Python Code for MARM framework - MARM = MCNP and Abaqus based Reactor Multiphysics. Slides provide background and details for achieving learning objectives, as well as ideas for future work in the area.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sorption of Iodine Species on SRS Wetland Soils

This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Office of Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the summer of 2021, a DOE Fellow intern, Phuong Pham, spent 10 weeks doing a summer internship at Savannah River National Laboratory under the supervision and guidance of Hansell Gonzalez-Raymat. The intern’s project was initiated on May 24, 2021, and continued through July 30, 2021, with the objective of gaining a better understanding of the dominant attenuation mechanisms for 129 I in the wetlands, the strength of the attenuation, and what conditions would influence it.

54 ENVIRONMENTAL SCIENCES↗

Characterization of Surface Water Dynamics within Fourmile Branch and its Linkages with Groundwater and I-129 Geochemistry

This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the summer of 2021, DOE Fellow intern, Stevens Charles, spent 10 weeks doing a summer internship at Lawrence Berkley National Laboratory (LBNL) under the supervision and guidance of Dr. Haruko Wainwright from LBNL and Dr. Hansell GonzalezRaymat from Savannah River National Laboratory (SRNL). The intern’s project was initiated on June 1, 2020, and continued through August 6, 2020, with the objective of characterizing the surface water dynamics in the F-Area of Savannah River Site (SRS) and analyzing the surface water dynamics to find any linkages with groundwater and Iodine-129(I-129) geochemistry.

54 ENVIRONMENTAL SCIENCES↗

Randomized Cholesky Preconditioning for Graph Partitioning Applications

A graph is a mathematical representation of a network; we say it consists of a set of vertices, which are connected by edges. Graphs have numerous applications in various fields, as they can model all sorts of connections, processes, or relations. For example, graphs can model intricate transit systems or the human nervous system. However, graphs that are large or complicated become difficult to analyze. This is why there is an increased interest in the area of graph partitioning, reducing the size of the graph into multiple partitions. For example, partitions of a graph representing a social network might help identify clusters of friends or colleagues. Graph partitioning is also a widely used approach to load balancing in parallel computing. The partitioning of a graph is extremely useful to decompose the graph into smaller parts and allow for easier analysis. There are different ways to solve graph partitioning problems. For this work, we focus on a spectral partitioning method which forms a partition based upon the eigenvectors of the graph Laplacian (details presented in Acer, et. al.). This method uses the LOBPCG algorithm to compute these eigenvectors. LOBPCG can be accelerated by an operator called a preconditioner. For this internship, we evaluate a randomized Cholesky (rchol) preconditioner for its effectiveness on graph partitioning problems with LOBPCG. We compare it with two standard preconditioners: Jacobi and Incomplete Cholesky (ichol). This research was conducted from August to December 2021 in conjunction with Sandia National Laboratories.

97 MATHEMATICS AND COMPUTING↗

Randomized Cholesky Preconditioning for Graph Partitioning Applications

Graph partitioning has emerged as an area of interest due to its use in various applications in computational research. One way to partition a graph is to solve for the eigenvectors of the corresponding graph Laplacian matrix. This project focuses on the eigensolver LOBPCG and the evaluation of a new preconditioner: Randomized Cholesky Factorization (rchol). This proconditioner was tested for its speed and accuracy against other well-known preconditioners for the method. After experiments were run on several known test matrices, rchol appears to be a better preconditioner for structured matrices. This research was sponsored by National Nuclear Security Administration Minority Serving Institutions Internship Program (NNSA-MSIIP) and completed at host facility Sandia National Laboratories. As such, after discussion of the research project itself, this report contains a brief reflection on experience gained as a result of participating in the NNSA-MSIIP.

97 MATHEMATICS AND COMPUTING↗

Energy efficiency for the growing South Carolina manufacturing industries. Final Report

The overall goals of the proposed project were to establish a DOE Industrial Assessment Center with Clemson University as the main center and to cement the Clemson IAC as the "go to" resource for energy efficiency expertise and assistance to manufacturing businesses in the state of South Carolina. The Clemson IAC included a satellite support center through partnership with the SCE&G Energy Innovation Center at the Clemson University Restoration Institute (CURI) in North Charleston, SC. The Clemson IAC was the first IAC based in the state with the goal to serve the entire state. The Clemson IAC provided SMEs with no-cost energy assessments, trained the next generation of energy-savvy engineers, and provided outreach to non-participating SMEs. Project objectives were structured into five 12-month Budget Periods. In the first Budget Period, the primary objective was to establish methods and materials for Clemson IAC assessments, training, and outreach. In the remaining Budget Periods, the primary objectives were to perform assessments, train students, and pursue outreach to hard-to-reach SMEs that did not participate in energy assessments. Expected outcomes in the first Budget Period included the development of standard procedures for performing energy assessments, including data acquisition, processing, and communication both within the team and in assessment reports prepared for SMEs. Outcomes related to student training in the first Budget Period included detailed curriculum and internship plans for students pursuing the DOE IAC Certificate and energy-related Clemson University certificates. Outcomes in the first Budget Period also included the development of outreach materials and plans for outreach events. In Budget Periods 2 through 5, major expected outcomes are trained students and completed energy assessments and reports for SMEs. Decision points and Go-No Go criteria for the end of each Budget Period, presented in more detail below, are based on the number of students in training and the number of energy assessments performed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Bi-metallic Nanoparticle Synthesis for Advanced Manufactured Melt Wires

Science Undergraduate Laboratory Internship (SULI) Program Report: Additive manufacturing (AM) based on direct-write technologies has emerged as the predominant method for the fabrication of passive sensors for the harsh operating environments seen in a nuclear reactor. Through the modification of previous methods, Idaho National Laboratory and Villanova University have improved the synthesis process for AM feedstock, which will allow for the improvement of advanced nuclear sensors and instrumentation. A major part of this work includes the synthesis process of relevant AM compatible feedstock to support the development, fabrication, and testing of AM sensors for peak temperature detection. For this report, bismuth, bismuth/platinum, tin, tin/silver, tin/zinc, indium, and indium/silver bi-metallic nanoparticles were synthesized using the polyol method, which will enhance temperature sensitivity and allow for miniaturization. To characterize the synthesized nanoparticles, we used x-ray fluorescence to evaluate the elemental composition of the nanoparticles and differential scanning calorimetry and thermogravimetric analysis to determine the melting point and mass loss of the samples. Results show that bi-metallic nanoparticles are a viable option for the fabrication of high-resolution AM melt wires. The temperature sensitivity can be brought to within 5°C and melt wires can be fabricated that are in the micrometer scale. This will expand the range of irradiation experiments melt wires can be used for and the measured temperature will be significantly more accurate.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SULI Research Report Paper

The Intelligence and Space Research Group 4 (ISR-4) at the Los Alamos National Laboratory focuses on signal processing and developing space electronics for various national security missions. The Space and Atmospheric Burst Reporting System (SABRS) is a sensing payload designed for nuclear detonation detection. As the sensors from previous payloads become obsolete, the requirement for a novel payload design increases. SABRS Prime is the successor to the previous SABRS payloads and is scheduled for delivery in 2028. As part of the SABRS Prompt Gamma Instrument Interface Board, high frequency signals from silicon photomultiplier tubes need to be split and subsequently transmitted to the Analog to Digital Converter. Prior to developing the Space Grade Instrument Interface Board, evaluation modules with Commercial off-the-shelf (COTS) components are evaluated and tested under rigorous conditions. Verification of power levels and gain specifications are some of the important steps taken during the evaluation stage. Working on the Signal Splitting Board has enabled me to work with various schematic software applications and learn more about the processes behind designing space grade electronic components. In addition, I conducted research on efficiency improvements for space-based power systems. Changes in design approaches were found to be the most significant sources of improvement. Being able to interact with researchers and peers across various scientific disciplines has given me a better insight into my future pursuits. Working in a R&D environment has cemented my decision to work on space applications for Quantum Sensing and pursue a PhD in Electrical Engineering. The SULI internship program at the Los Alamos National Laboratory has helped me develop the skillset of a researcher, understand the rigorous processes behind developing space grade hardware, and improve my critical thinking abilities to support the development of reliable instrumentation for deep space missions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Solving Coupled Surface and Subsurface Flow with Multirate Time Integration [Slides]

This report details an end of summer internship. The report lists the objective, "Add more multirate time integration methods to Amanzi" and concludes that, "Multirate methods can be used to speed up simulations and to get higher orders of accuracy", and "Coupled surface and subsurface simulations could benefit from using multirate schemes".

47 OTHER INSTRUMENTATION↗

Automation of the Receipt Inspection of Criticality Control Overpacks (CCO)

This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Office of Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the spring of 2022, a DOE Fellow intern, Philip Moore, spent 16 weeks doing a spring internship at Savannah River National Lab under the supervision and guidance of Corey Hopper. The intern’s project was initiated on January 24, 2022, and continued through April 2, 2022, with the objective of contributing to a robotic system for automation of CCO inspection.

47 OTHER INSTRUMENTATION↗

Modeling of Chemical Slurry Rheology in DWPF Sludge Batch (SB) 10 Simulants

The Defense Waste Processing Facility (DWPF) treats high-activity radionuclides from sludge through a process called vitrification. This process converts radioactive liquid waste currently stored in tank farms into a solid glass form that is suitable for long-term storage and disposal. Due to the complexities involved in vitrifying this waste within each operation of the Chemical Processing Cell (CPC), waste rheology is studied to characterize the fluid-mechanical properties as it passes through the CPC and into the Melter. To better understand the waste and validate flow behavior, slurry rheology of simulants that represents the waste was studied at various acid stoichiometry percentages and solids concentrations to determine the simulant’s yield stress and viscosity. This research work has been supported by the DOE-FIU Science & Technology Workforce Development Initiative, an innovative program developed by the U.S. Department of Energy’s Office of Environmental Management (DOE-EM) and Florida International University’s Applied Research Center (FIU-ARC). During the spring of 2022, a DOE Fellow intern, Brendon Cintas, spent 10 weeks doing a summer internship at Savannah River National Laboratory (SRS) under the supervision and guidance of Dan Lambert, Chemical Flowsheet Development. The intern’s project was initiated on June 6, 2022, and continued through August 11, 2022 with the objective of assisting scientists at SRNL’s Rheology and Grout Laboratory at Aiken Country Technology Lab (ACTL) better understand the sludge composition on the rheology of a simulant slurry using a HAAKE RheoStress 6000 rheometer and extrapolate the results to the real-waste data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Updated Gadolinium Validation in SCALE 6.3.0 using ENDF/B-VIII.0 Data [Slides]

This presentation provides a brief recap of the ANS Summer meeting in 2018 with a discussion of the results. The presentation also provides an overview of new models and states that all new models have been checked but have not yet been added to the VALID library. It also states that the models were originally created as part of a master's thesis or summer internships. Additionally, all models have been rerun in SCALE 6.3.0 using CE ENDF/B-VIII.0 library. In conclusion, this project has facilitated a significant expansion of validation set containing gadolinium, including 13 cases previously in VALID plus 99 new cases. The completion of IPPE HST experiments confirm no clear trend as a function of concentration or spectrum. Solid absorber cases also show no clear trends and LANL HMT experiments have significant discrepancies in Gd alloy cases. While almost half of the total gadolinium-bearing cases from the ICSBEP Handbook are considered here, the presentation recognizes that there is more work to be done.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Student Programs Office Overview [Slides]

The Student Programs further the Laboratory’s goal of developing and mentoring the next generation of scientific, technical, and professional staff by supporting 2,000+ interns at all levels (high school, undergraduate, graduate, and postgraduate) along with 2,000+ mentors and 70 division student liaisons. The activities include internship promotion and external engagement, intern identification and sourcing, training and orientation, professional and career development, social and community engagement, and compliance.

99 GENERAL AND MISCELLANEOUS↗

URSI ORISE Final Reflection

When I joined the US ITER project for my internship, the ITER Organization (IO) in France had started working on rebaselining – changing major aspects of the scope, schedule, and/or cost. My main task at US ITER was to interview US ITER, ORNL, ITER Organization (IO), ASDEX, WEST, and Sandia National Laboratory (SNL) staff. I reviewed with them the proposed changes in the rebaselining, listened to their concerns and comments, took notes, and asked questions. To become familiar with the IO’s proposed rebaseline, I analyzed reports, studies, presentations, and graphs. I also attended conferences and webinars, both domestic and international. I compiled all the information and contrasting opinions into one presentation to present to US ITER staff.

99 GENERAL AND MISCELLANEOUS↗

University Coalition for Fossil Fuel Energy Research

Following a nationwide open competition, the University Coalition for Fossil Energy Research (UCFER) was established in October 2015 through a cooperative agreement between Penn State and the Department of Energy (DOE) National Energy Technology Laboratory (NETL). Penn State lead UCFER with the objective of advancing basic and applied research for clean and low-carbon energy based on fossil fuels in support of the DOE’s mission. UCFER focused on research that improves the efficiency of production and use of fossil energy resources, while minimizing the environmental impacts and reducing greenhouse gas emissions. Penn State lead a team of nine universities (Massachusetts Institute of Technology, The Pennsylvania State University, Princeton University, Texas A&M University, University of Kentucky, University of Southern California, The University of Tulsa, University of Wyoming, and Virginia Polytechnic and State University) during the competition stage, adding seven more universities in 2017 (Carnegie Mellon University, Louisiana State University, The Ohio State University, University of North Dakota, University of Pittsburgh, University of Utah, and West Virginia University). This Coalition exhibited a wide geographical distribution across the U.S. bringing a wide variety of fossil energy expertise. This national university alliance was a major collaborative effort with NETL to address specific topics of R&D in NETL’s mission area, which involved one or more of NETL’s five core competencies (Geologic and Environmental Systems, Materials Engineering and Manufacturing, Energy Conversion Engineering, Systems Engineering and Analysis, and Computational Science and Engineering). The first five to six months of the project was the definitization stage. During this period, Penn State worked closely with NETL to finalize the Coalition organizational structure and By- Laws, prepare a statement of substantial involvement and a statement of project objectives, and develop operations and membership plans. A major component of this stage included preparing an execution plan to solicit research, evaluate proposals, recommend selected projects to NETL, and award projects. In addition, a plan was prepared to monitor projects, review projects, disseminate knowledge from research projects and develop an online system for Coalition research portfolio management. This included developing a website and several databases. The first of six rounds of solicitations started in mid-2016. Projects from the sixth solicitation started February 1, 2021, and ended January 31, 2023. Projects that were selected represented twelve technology lines. Approximately $16.6 million in funding was available for the six solicitations. Most of the funding was provided by DOE, Office of Fossil Energy (DOEFE) with the DOE Fuel Cells Technologies Office (DOE-FCTO) providing funding for a few projects. Coalition universities submitted 259 proposals in response to the solicitations, requesting approximately $67.0 million in funding, and forty-three projects were selected. However, one project withdrew after the principal investigator left the university. The management of the Coalition projects was a major activity by Penn State. Managing the Coalition projects consisted of monitoring the projects, reviewing the projects through annual technical review meetings, disseminating knowledge from the research projects, and developing an online system for Coalition research portfolio management. Penn State’s OMT monitored projects to ensure that all milestones (technical, schedule, budget) were met, expenditures were allowable, cost share (when applicable) were reported, and all technical reports were submitted. The OMT also posted the technical reports electronically on a secure members-only website for access and review by the Coalition members. Disseminating knowledge from the research projects was done through a website, newsletters, various meetings, conferences, journal articles, publicity/press releases, and project summaries that were prepared after each project was completed. Penn State kept NETL apprised of UCFER progress through quarterly reports (thirtyone were submitted by Penn State), verbal and written communications, yearly updates at the annual technical review meetings, and cost accrual reports. The UCFER project had a significant impacty. The UCFER program established the first national university alliance in fossil energy research with a major collaboration effort with DOE NETL that addressed specific topics in NETL’s research and development mission areas. It generated inter-university collaborations, which was another program interest. Twenty-two out of 259 proposals contained collaborations (≈8.5%) and three of forty-two funded projects involved inter-university collaborations (≈7.0%). The forty-two funded projects provided support at fourteen universities involving 269 personnel. Research was conducted by 106 faculty, 115 graduate and undergraduate students, forty-six research staff and post-doctoral scholars, and two visiting scholars. Students and post-doctoral scholars were also on-site at NETL through CRADAs. In addition, non-Coalition participants included six universities and sixteen companies and national laboratories. The non-Coalition participants were involved as subcontractors, providers of cost share, performed unpaid consultation and sample analysis, served as advisory board members, or were providers of samples and materials for testing. UCFER also produced visibility in that fifty-six refereed journal articles were published, fifty-seven conference papers and twenty-three posters were prepared, 190 presentations were given, eight patent applications were filed, two books/book chapters were written, and ten software codes were developed. Collaboration between NETL and the individual projects was a major requirement for all funded projects. This included NETL staff time to support collaboration, consultation, technical guidance, sample preparation and analysis, internships at NETL, on-site testing and equipment usage by Coalition participants at NETL, co-mentoring students, and coauthoring journal articles and conference papers. Collaboration was impacted by COVID-19 in that not all on-site activities could be performed. NETL personnel were coauthors on eight of the conference papers (fourteen percent of the conference papers that were prepared) and seventeen of the journal articles (thirty percent of the journal articles that were prepared). A website was developed for an online proposal solicitation and review process and to provide exposure to UCFER. A website analysis highlighted the large amount of member and general public interest in UCFER by interpreting access statistics from March 2016 through June 2023. Visitors to the site originated from many different organizations, businesses, and countries. The website provided a means to disseminate information to both the general public and the UCFER members and was successfully used for outreach activities. In addition, NETL required that RFP release, proposal submission, and proposal reviews all be performed online. Penn State successfully developed these capabilities in a secure section of the website, which were used throughout the UCFER project. It is recognized that each project had its technical successes. In addition, highlighted successes were compiled and summarized from the research projects. Information was requested from the PIs of completed projects. In addition, Penn State’s Operations Management Team reviewed subcontract reports to identify project successes. Examples of information requested from PIs included (not all-inclusive): new projects that have been funded as a result of UCFER funding; new commercial products; establishment of a new center; new patent; new software; best paper awards; highly-cited work; and graduate student successes. A total of forty-eight highlighted successes were reported.

01 COAL, LIGNITE, AND PEAT↗

LANL/UTEP Metallurgical Science Center of Excellence Planning

LANL seeks research assistance and skills development in three distinct subject areas over the next three years. Individualized scope and detail implementation schedules will be the first deliverable for these subject areas and will represent a joint determination between LANL SMEs and UTEP faculty based on LANL priority (schedule) and UTEP staffing (faculty and student- graduate and undergraduate) and capability of immediate availability per schedule. LANL will endeavor to make summer internships available to UTEP students within these subject areas: Chemical Sciences, Additive Manufacturing, and Metallurgy: casting and solidification, characterization, and metal purification. Unarticulated but generalized scoping tasks follow within each topical area to indicate that students and technicians familiar with these skill sets are of value and interest in LANL workforce pipeline and the tasks that seek to develop these skill sets are intentional on LANL's part. Consequently, LANL will sponsor 2-3 senior (capstone) projects within these subject areas per year over the three year time period within these task areas and within separations technologies, wet chemical analysis, and analytical characterization and quantification as required by all tasks.

36 MATERIALS SCIENCE↗

Time-Gated Raman Spectroscopy (Intern Final Report)

Time-gated Raman spectroscopy is a powerful tool for rapid non-destructive analysis of chemical compounds, particularly when combined with other investigative methods. Time-gating the signal obtained from a sample during Raman spectroscopy allows for the removal of background emission and black body radiation, improving clarity and accuracy of scans. The main objectives of this project were to prove the lab’s time-gated Raman spectroscopy system works as proof of concept and to make select improvements to the in-house LabVIEW software used to run the time-gated system. This time-gated system will be added to the CTK’s TAP reactors in the future, but this is out of the scope of this internship project. This research is important, as understanding the mechanisms behind catalysts leads to designing better systems/materials and the perfection of catalysts, and energy-efficient chemical manufacturing is key when designing a greener future. The research for this project was done with samples at both ambient conditions in sample holders and at operando conditions (i.e., high temperature, unsteady-state) inside a small-volume chemical reactor. Numerous spectro-kinetic scans of the catalysts were obtained, but the advanced dynamics of these systems are still being interpreted. There is data that demonstrates that the time-gated system is correctly rejecting emission from samples, and one can observe real-time changes in the signal from the sample, due to coking or changes induced by redox chemistry. Chemical manufacturers and the planet are the main beneficiaries of catalysis research, as better catalysts will reduce carbon emissions.

36 MATERIALS SCIENCE↗