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Support for Students, Postdoctoral Fellow and Trainees who have been Accepted to Present at TERACHEM 2018 on Radiometal Nuclear Sciences

This grant was used to support students, postdocs and trainees to attend TERACHEM 2018, the premier conference/symposium on radiometal nuclear sciences. The trainees supported all presented their research at TERACHEM 2018 held in Bressanone, Italy from 26-29 September 2018. All trainees performed their research at US institutions. Eight trainees were supported.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Final Report on the NA-22 sponsored project from FY17-19: Next-Generation Correlated Fission Event Simulations

Through this multi-organization correlated fission physics research and development project, the CGMF and FREYA fission event generators have been implemented into the MCNP6.2 code and released to the public while a variety of dedicated differential experiments on correlated fission signatures have been performed to help validate the complex fission theory and physics implemented in these codes. In addition to enabling these new capabilities, a multitude of efforts in modeling and transport simulation has been directed toward a variety of applications including general nuclear nonproliferation, subcritical neutron multiplication, and nuclear criticality safety applications. While there is still much more to be done in the area of correlated fission physics, including the study of b-delayed fission observables, more robust validation and an extension into more application spaces, one of the key successes of this project can be summarized as the delivery of a newly demonstrated and consistently integrated simulation capability spanning several complex nuclear physics codes. From the special nuclear materials source term to the radiation transport to the time-coincident detector response modeling, new and existing users around the world, especially throughout the nuclear nonproliferation communities, can now begin to model these kinds of highly complex special nuclear material applications. Another successful aspect of this project included fruitful collaborations, mentoring opportunities and community outreach. One extended collaboration workshop was held in Santa Fe, NM in March 2017. Two other limited collaboration meetings took place including a brief gathering during the mid-project Schubert review at LANL and a single all-day special session on “Correlated Fission Physics, Transport and Applications” held during the 2019 Annual Meeting of the Institute of Nuclear Materials Management (INMM) in Palm Desert, CA. Finally, as part of this project, we have mentored 14 undergraduate students, PhD candidates, and postdoctoral researchers listed in Appendix A. The remainder of this report contains detailed information followed by highlights of the goals and accomplishments in Appendix B broken down by task within this project.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

EFRC Materials Science of Actinides (Final Report)

The Energy Frontier Research Center Materials Science of Actinides (MSA) conducted basic research from 2009-2019. The scientific personnel and participating institutes changed several times during the evolution of the Center, and in total included 24 senior investigators, four national laboratories, and ten universities. Workforce development was a motivating goal of the university-led Center, which included many undergraduate, graduate, and post-doctoral researchers. The center focused on the actinide elements, which arise from the sequential filling of the 5f electron orbitals. Although the specific themes evolved during the Center’s history, the final research themes were: (1) Nanoscale Cage Clusters, (2) Complex Ceramic and Metallic Materials, and (3) Materials Under Extreme Environments. To date, the Center has produced 254 peer-reviewed journal publications and book chapters that acknowledged only the EFRC funding, and an additional 161 journal publications and book chapters that acknowledged funding from the EFRC and additional sources (a few manuscripts are still in preparation). Broad highlights include: (1) Development of an extensive family of actinide nanomaterials that self-assemble in aqueous solution, an understanding of their formation mechanisms and stabilities, and possible uses in nuclear fuel cycles; (2) Establishment of facilities and methodologies to conduct high-temperature calorimetry on transuranium materials, and extensive thermodynamic-based studies of uranium and thorium compounds important to the nuclear fuel cycle; (3) A vastly improved understanding of the behavior of actinide materials in extreme conditions, including high radiation fields, temperatures, and pressures, as well coupled effects of two or more of these; (4) Development of resonance ultrasound spectroscopy and direct measurement of aging of plutonium alloys.

36 MATERIALS SCIENCE↗

Overview of research completed with funding from the SciDAC CSPM project (Final Technical Report)

The Center for the Study of Plasma Microturbulence was a SciDAC project managed by the Office of Fusion Energy Sciences in the US Department of Energy. Funding for the University of Maryland was initially modest (40k/year) for the first two years. The remaining four years were funded at 201k/year, with a single $50k supplemental in 2015, and a no-cost extension that ran through March, 2018. The CSPM involved several institutions whose efforts are documented separately. At UMD, the CSPM supported two graduate students (Kanekar and Wilkie), two post-doctoral fellows (Landreman and TenBarge), and summer salary for the UMD PI (Dorland). The supplemental in 2015 provided additional salary for a sabbatical by Dorland in 2015/16. Landreman and TenBarge both transitioned to separately funded research staff positions at Maryland at the ends of their post-doctoral, CSPM-supported, positions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

US High-Luminosity LHC Accelerator Upgrade Program (AUP)

HL-LHC project aims at increasing luminosity from 300 fb -1 to 3000-4000 fb -1 . The project is led by CERN with the support of an international collaboration of 29 institutions in 13 countries, including the United States.

43 PARTICLE ACCELERATORS↗

UNITY: Unified Memory and Storage Space

UNITY is a 36-month project focused on providing design and evaluate a new distributed storage paradigm that unifies the traditionally distinct application views of memory- and file-based data storage into a single scalable and resilient environment. The project is a collaboration among Oak Ridge National Laboratory (ORNL, Lead institution), Los Alamos National Labs (LANL), and Georgia Tech (GT). The main contributions of the GT team have been around development of low level systems software for best leveraging the capabilities of new types of persistent memory technologies, and for development of methods for intelligent data management across memory/storage substrates with heterogeneous components. GT contributed the Phoenix library for optimized checkpoint/restart for HPC I/O for systems with non-volatile memory (NVM), the NVStream library for NVM-specialized streaming I/O for HPC workflows, the CoMerge, Mnemo and Kleio solutions for intelligent data management on NVM-based systems. These contributions result in significant improvements in both application performance and system efficiency.

97 MATHEMATICS AND COMPUTING↗

Demand Driven Cycamore Archetypes

Future nuclear fuel cycle options may present advantages over today’s once-through fuel cycle. Nuclear fuel cycle simulation tools assess the performance of those fuel cycles as well as the dynamics of long-term technology transitions. In many nuclear fuel cycle simulation tools, it has historically been the responsibility of the user to manually define facility deployment schemes and all facility parameters. While this is straightforward in simple fuel cycles, transitions from one fuel cycle to another can be more complex. In particular, deployment schemes for supportive fuel cycle facilities beyond the reactor become complex if the analyst desires to avoid gaps in the nuclear fuel and power supply chain during those transition scenarios. As nuclear fuel cycle analysis approaches questions regarding the feasibility and performance of the deployment schemes and technology choices during technology transition, automation of this historically manual process is necessary. The main objective of this work was to develop and demonstrate Cyclus automation capabilities toward key nuclear fuel cycle transition scenarios. While deploying reactors to meet power demand is trivial, and existed in the earliest versions of CYCLUS, automated, predictive deployment and decommissioning of other facilities is more complex. These include mining, milling, enrichment, fuel fabrication, reprocessing, and others. For example, a balanced closed fuel cycle may require ensuring that there is enough fast reactor fuel for their operation and may drive deployment of a fleet of light water reactors. This concern comprises the main challenge that drove the project effort. The Demand-Driven Cycamore Archetype project (NEUP-FY16-10512) aimed to develop CYCAMORE demand-driven deployment capabilities and thereby automate transition scenario definition. The developed software package, d3ploy, in the form of a CYCLUS Institution agent, deploys Facilities to meet the front-end and back-end demands of the fuel cycle. The University of South Carolina and the University of Illinois applied multiple algorithmic approaches to this challenge. This project developed an in situ demand-driven development schedule calculation through non-optimizing, deterministic-optimizing, and stochastic-optimizing algorithms as CYCLUS archetypes and demonstrated these new archetypes in program-supporting fuel cycle transition scenarios. Both objectives were achieved. This report documents the results and deliverables obtained toward these achievements in detail.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Partnership and Community Engagement [Slides]

Partnerships ensure a strong Laboratory and support our missions. This presentation introduces partnerships then discusses institutes and university engagement, industrial partnerships, and regional pueblos.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Big data health physics: a case study in operational health physics

This paper, written as a two part project as required by Illinois Institute of Technology’s Phys597 Reading & Special Problems class and health physics professional master’s program, focuses on the results of a prototype data collection process implemented at a Los Alamos National Laboratory facility. In particular, this paper examines the data in a statistical context in an effort to optimize operational health physics processes at the Los Alamos National Laboratory.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

UTrain Manual for Training Administrators

This Institutional Training Administrative Procedure provides the business rules that must be followed when working in UTrain. As commercial off-the-shelf software with customizations, UTrain cannot address all the implementation business requirements, and thus, administrative business rules and processes were defined and documented. Many business rules were incorporated into the UTrain training materials. UTrain is the Laboratory’s official learning management system. UTrain is the system of record for all Laboratory training, qualification, certification, and worker authorization. All training at LANL must be documented in UTrain. The detailed steps of how to operate UTrain are contained in the UTrain courses and training manuals and in the UTrain job aids, not in this document.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Continuous Water Quality Sensing for FGD Wastewater

The coal fired plant power industry requires new solutions for on-line monitoring of flue gas desulfurization (FGD) wastewaters for regulated trace metals to reduce recurring operating and off-site laboratory analysis costs and provide a high level of confidence of compliance with state and federal discharge guidelines. The University of Alabama at Birmingham (UAB) developed an integrated water sensor package for continuous water quality monitoring of flue gas desulfurization (FGD) wastewaters for concentration measurements of Selenium (Se). UAB utilized a diverse team of University Professors/Staff Members/Student(s) (Engineering and Innovative Technology Development Group), a University Affiliated Research Institution from the local area (Southern Research), and a cost sharing Industry Partner (Metrohm). The team developed and validated a proprietary wet chemistry batch process for water sample preparation; and implemented this process as a fully automated on-line monitor prototype system. This prototype system’s performance was evaluated in both the laboratory and during in-field deployment to a coal fired power plant. In both environments it was found that the prototype system was unable to recreate the batch process’s success at preparing FGD water samples for total Se measurements with a commercial-off-the-shelf (COTS) cyclic anodic stripping voltammetry (CSV) system. Through this experience, UAB has provided insight into a number of specific areas where improvements can be made with respect to the COTS systems used in this project to yield a more complete and competitive industry solution for on-line monitoring of total Se in industrial wastewater.

01 COAL, LIGNITE, AND PEAT↗

Power Sector Transformation Pathways: Exploring Objectives, Factors, and Technology Innovations to Inform Power Sector Pathway Decisions

The power and heating sectors are responsible for around 30% of global CO2 emissions and this share is likely to grow as countries move towards electrification of the transportation and building sectors. Therefore, enabling forward-thinking, long term strategies in the power sector is a crucial area for international collaboration and support. The rapid transition of power systems toward modern, low-carbon pathways and technologies will be necessary to meet key climate goals while also enabling other critical objectives such as economic development, energy access, and energy system resiliency, among others. Many developed and developing countries are well-poised to champion power sector transformation (PST), however, further support is needed to identify pathways and implement critical near and long-term actions. To address this need, the Low Emission Development Strategies Global Partnership (LEDS GP) together with an expert team including Agora Energiewende, Energy Innovation, European Climate Foundation, Fraunhofer Institute for Systems and Innovation Research , Prayas Energy Group and LEDS Latin America and Caribbean Platform, developed a framework identifying four key pathways that can be integrated and combined to support low-carbon PST. These four pathways are: (1) Distributed Energy Resource Revolution, (2) Bulk Power Transformation, (3) Transmission and Distribution Interactivity, and (4) Distributed Transactional Future. To support exploration of pathways, this study examines PST objectives and factors that may lead countries or jurisdictions to place a greater relative emphasis on certain pathways as well as a framework and complementary tool for considering the emphasis in a hands on manner. The report provides case studies on application of the approach to bring life to the topic. The case studies include Haiti, Kenya, Mexico, Southeast Asia, and the European Union, among others. The report also presents actions to-be-taken in the near-, medium- and long-term to support the realization of pathways and long-term transformation of the power sector. The report, together with a complementary spreadsheet tool developed under the effort, can be used to enable stakeholder engagement and visioning for the power sector over the long-term, taking into account key factors and potential innovations. It can also be used to understand and inform relevant analysis tools and models based on which pathways are emphasized, and to identify key actions in the near- and medium-term to avoid lock-in of carbon-intensive technologies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Plant Summit 2019

The Plant Science Research Network organized the Plant Summit 2019, which took place February 10-13, 2019 at Biosphere 2 (Oracle, AZ). The Summit brought together plant scientists from many quarters, including stakeholders from academic institutions, government, nonprofits, and private industry with a broad range of experience in plant science research and education. Participants were guided through a facilitated workshop to review and assess the outcomes from previous PSRN workshops on cyberinfrastructure, postgraduate training, broadening participation, and future scenarios. An outcome of the Summit is the development of a report, “The Plant Science Decadal Vision (2020-2030): Reimagining the Potential of Plants for a Healthy Future.” The Decadal Vision frames societally vital, exciting and far-reaching research challenges as being necessary and deeply interwoven with human and technical resources. An Executive Summary of that report is provided.

59 BASIC BIOLOGICAL SCIENCES↗

Scale-up of Next Generation Nano-Enhanced Composite Materials for Longer Lasting Consumer Goods

The objective for this project was to create an industrial-scale manufacturing operation for Vertically Aligned Carbon Nanotube Forests (VACNTs), which make up N12 Technologies’ (N12) NanoStitch® product, a prepreg additive that makes advanced composites tougher, lighter, and more durable. This was achieved using University of Dayton Research Institute’s (UDRI) 60-inch Nano Adaptive Hybrid Fabric (NAHF-X) reactor system. N12 had a unique and effective nanomaterial-based product that they were manufacturing on small-scale 1-inch wide substrate machines in Boston, MA. UDRI had a large-scale 60-inch wide nanomaterial growth reactor available for scaling up 2nd party products in Dayton, OH. Thanks to the successful cooperation between both parties, this project resulted in the world’s first industrial-scale continuous VACNT film pilot plant in Dayton, OH with an increase in VACNT supply production rate of >10X. This scale up enabled market validation via testing programs and pilot manufacturing operations with a number of customers.

36 MATERIALS SCIENCE↗

Abstract for CRADA among the National Energy Technology Laboratory, National Technology & Engineering Solutions of Sandia, The Regents of the University of California, and Tri-State Generation and Transmission Association, Inc. (AGMT-0855)

The objective of this CRADA is to facilitate cooperation among Tri-State Generation and Transmission Association, Inc. and collaborators of the Institute for the Design of Advanced Energy Systems (IDAES), including the National Energy Technology Laboratory, Sandia National Laboratories, and Lawrence Berkeley National Laboratory. The goal is to develop steady-state and dynamic optimization models of power plants. Tri-State will provide data related to the design and operation of power plants, which will be used to validate the IDAES team’s models and tools. These models will provide insight into potential improvements which could improve heat rate, reduce operations and maintenance costs, and/or improve reliability of the existing fleet of coal plants in the United States.

20 FOSSIL-FUELED POWER PLANTS↗

Big Data Health Physics

This project, in completion of the Illinois Institute of Technology’s Professional Masters of Health Physics program, represents a two part independent study wherein (1) a Statistical Analysis is performed on a new data process implemented at a Los Alamos National Laboratory facility and (2) a Project Management Plan is designed for the successful implementation of this new radiation protection management process.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Micro-Pulse DIAL for Atmospheric Water Vapor Profiling (Phase I Final Report)

Water vapor plays a key role in Earth’s climate and weather patterns. Accurate, high resolution measurements of the water vapor vertical profiles in a region have been found to significantly improve the numerical weather prediction models’ short-term forecasts, precipitation forecasts, as well as severe weather forecasts. However, current measurement techniques provide very coarse resolution in space, time, and/or altitude. A network of continuously sampling water vapor profilers would greatly expand the scientific knowledge of the atmosphere and serve as a valuable input into numerical weather models. This would be of interest not only to the Department of Energy’s Environmental Sciences Division but to other institutions such as the National Weather Service, the National Center for Atmospheric Research, the Federal Emergency Management Agency, and the military.

54 ENVIRONMENTAL SCIENCES↗

The Dark Energy Spectrographic Instrument (DESI) Guide-Focus Assembly

The specific research of the DESI project is to study in detail the expansion history of the Universe over the past 10 billion years. In order to do this, the project designed, fabricated, tested and commissioned the DESI instrument which has been deployed at the Mayall Telescope at the Kitt Peak National Observatory near Tucson, Arizona. The DESI project was conducted by approximately 30 US and foreign national laboratories. Our CRADA with the The Institut de Física d’Altes Energies (IFAE) in Barcelona (Spain) involved both research planning for eventual observing on the DESI telescope; and in providing hardware jointly designed by LBNL and IFAE; ten guide and focus sensor systems (GFAs) that either provide feedback to the Mayall telescope tracking system or provide focus position information to the DESI corrector hexapod. The key major goals of this CRADA were achieved.For survey planning, Drs. Fernandez, Fosalba, Garcia-Bellido, and Gaztañaga were all important contributors to the working groups to which they were assigned. Their application of redshift techniques, development of simulations to support target selection, exploration of the use of alternative observables to extract cosmological information like AP and void statistics, and the use of PAU data to assist in the optimization of targeting selections have been vital in the early planning for targets during commissioning. The major role in the project involved Drs. Castander, Miquel, Padilla, and Sànchez. They were all directly involved with the development of the Guide-Focus Assembly (GFA) hardware, software and filter validation. In order to accomplish the goals of the DESI Project, the Mayall telescope must track DESI targeted galaxies for up to 15 minutes and the DESI corrector must be repositioned on its hexapod system for different telescope orientations. The guide and focus assemblies (GFA) provide in this information. There are ten GFA modules on the focal plane, six providing tracking information and four providing focus information. A common GFA design supports both functions by a simple switching of its operating mode. IFAE designed, fabricated, tested and delivered twelve GFAs. Once received at LBNL, the GFAs were integrated with the focal plane. This was an iterative process as the GFA’s were delivered as they were made. Our working relationship with the IFAE scientists and engineers was remarkable given the distance and time zone issues. The GFAs have performed extremely well during the commissioning phase of the instrument.

79 ASTRONOMY AND ASTROPHYSICS↗