GEL Analytical Data Package
A letter from Meredith Boddiford for Brielle Luthman, GEL Laboratories, LLC, to Kim Swanson, Lawrence Livermore National Laboratory on June 29, 2021 regarding EFA Soil Project Level 4.
54 ENVIRONMENTAL SCIENCES↗
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Science and Technology Review (May 2021)
Lawrence Livermore has been on the forefront of cancer research for over 60 years. Early interest in cancer statistics stemmed from the nature of work, particularly how radiation affects humans. The Department of Energy funded research to investigate the effects of radiation on workers with long term exposure. This research quickly morphed into a wider breadth of cancer research topics, including the use of advanced computational models to investigate mutations in genes. Livermore is regarded as a leader in cancer research, from the Human Genome Center to its participation in the National Cancer Institute’s “Moonshot” project. The highly interdisciplinary Laboratory unites research in one more example: bringing together cancer biology, 3D printing, high-performance computing, big data, and materials science to address this pressing medical challenge.
36 MATERIALS SCIENCE↗
Simulating Dopant Diffusion in a Detalied Porous Structure
The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) uses highpowered lasers to explore cutting edge fusion technology. Specialized optics, known as fiber lasers, generate and amplify the NIF’s high-powered lasers that facilitate fusion experiments. Fiber lasers are glass fibers that are doped with heavy elements to stimulate light emission. The fiber laser doping processing uses a predeposited layer of porous silica nanoparticles on the surface of the glass to absorb a dopant rich salt solution. Our project simulated the diffusion of dopants into porous silica with prescribed colloidal stacking geometries using COMSOL Multiphysics. With these simulations we identified the porosity and tortuosity of the porous nanoparticle structures as the primary parameters that will dictate how the dopants will diffusive into the porous surface of the glass. Porosity and Tortuosity are geometric parameters that can easily be input into more detailed simulations to estimate an effective diffusivity within the porous layer. Future work should account for surface reactions to accurately simulate the full-scale diffusion of the solution doping process.
36 MATERIALS SCIENCE↗
FY21 Report on Activities for EBS International
This report summarizes the FY21 Activities for EBS International Collaborations Work Package. The international collaborations work packages aim to leverage knowledge, expertise, and tools from the international nuclear waste community, as deemed relevant according to SFWST “roadmap” priorities. This report describes research and development (R&D) activities conducted during fiscal year 2021(FY21) specifically related to the Engineered Barrier System (EBS) R&D Work Package in the Spent Fuel and Waste Science and Technology (SFWST) Campaign supported by the United States (U.S.) Department of Energy (DOE). It fulfills the SFWST Campaign deliverable M4SF- 21SN010308062. The R&D activities described in this report focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. A primary goal is to advance the development of process models that can be implemented directly within the Generic Disposal System Analysis (GDSA) platform or that can contribute to the safety case in some manner such as building confidence, providing further insight into the processes being modeled, establishing better constraints on barrier performance, etc. Sandia National Laboratories is participating in THM modeling in the international projects EBS Task Force and DECOVALEX 2023. EBS Task Force, Task 11 is on modeling of laboratory-scale High Temperature Column Test conducted at Lawrence Berkeley National Laboratory. DECOVALEX 2023, Task C is on THM modeling of the full-scale emplacement experiment (FE experiment) at the Mont Terri Underground Rock Laboratory, Switzerland. This report summarizes Sandia’s progress in the modeling studies of DECOVALEX 2023, Task C. Modeling studies related to the High Temperature Column Test will be documented in future reports.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Science and Technology Review June 2021
When the COVID-19 pandemic hit, Lawrence Livermore National Laboratory scientists came together, leveraging many different disciplines and technologies to address this global challenge. Livermore focused on three areas of research: creating alternatives for medical equipment in short supply, such as ventilators and nasal swabs; developing methods to help detect the SARS-CoV-2 virus responsible for COVID-19; and designing medical countermeasures such as antibodies and antivirals to combat the disease.
36 MATERIALS SCIENCE↗
Update on NEA-TDB Database Development and Database Formatting Tool
This progress report (Level 4 Milestone Number M4SF-21LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Activity Number SF-21LL01030206. The activity is focused on our long-term commitment of engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA TDB) Project (Cindy Atkins-Duffin) and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. LLNL is supporting the overall objectives of the Disposal Research (DR) Crystalline International Collaborations Research and Development (R&D) control account. The objective of this control account is to advance our understanding of long-term disposal of spent fuel in crystalline rocks (including both granitic and metamorphic rocks) and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Non-Electrostatic Surface Complexation Database for GDSA
This progress report (Level 4 Milestone Number M4SF-21LL010301062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite International Collaborations Activity Number Activity SF-21LL010301061. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. The focus of this milestone is surface complexation model international collaborations. Specifically, we are developing a database framework for Spent Fuel and Waste and Science Technology (SFWST) that is aligned with the Helmholtz Zentrum Dresden Rossendorf (HZDR) sorption database development group in support of the database needs of the SFWST program.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
SUPCRTNE Thermodynamic Database Engine
This progress report (Level 4 Milestone Number M4SF-21LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Activity Number SF-21LL01030105. LLNL is leading efforts in the development of thermodynamic databases in support of the Spent Fuel and Waste Science Technology (SFWST) program. Thermodynamic models provide the basis for understanding the stability of solid phases and speciation of aqueous species and modeling the evolution of repository conditions. The LLNL effort is being performed in coordination with other US database development efforts. The effort includes a review of available thermochemical databases and a path forward for database integration. International coordination with the NEA-TDB is supported through crystalline international work package.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Arroyo Mocho Habitat Suitability Assessment for Sensitive Reptiles, Amphibians, and Fish
Sequoia Ecological Consulting, Inc. (Sequoia) has prepared this habitat suitability assessment for the purpose of assessing current habitat suitability and evaluating the potential presence of special-status species at and near the Arroyo Mocho Pumping Station (Arroyo Mocho). The Study Area is located 7.5 miles southeast of the City of Livermore in Alameda County, California. Our analysis provides a description of presence and habitat suitability for special-status reptiles, amphibians, and fish within the Study Area and identifies potential conservation measures. Special-status animals are designated by the US Fish and Wildlife Service (USFWS) and the California Department of Fish and Wildlife (CDFW). This analysis focuses on California tiger salamander (Ambystoma californiense), California red-legged frog (Rana draytonii), foothill yellow-legged frog (Rana boylii), western pond turtle (Emys marmorata), Alameda whipsnake (Masticophis lateralis euryxanthus), Coast horned lizard (Phrynosoma blainvilli), and central California coast distinct population segment (DPS) steelhead (Oncorhynchus mykiss), per the request of Lawrence Livermore National Laboratory.
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BioGeoChemistry at Interfaces (LLNL SFA OBER FY21 Program Management and Performance Report)
The focus of the BioGeoChemistry at Interfaces (formerly BioGeoChemistry of Actinides) SFA is to identify and quantify the biogeochemical processes and the underlying mechanisms that control actinide mobility in an effort to reliably predict and control the cycling and migration of actinides in the environment. The research approach includes: (1) Field Studies (Research Thrust 1) that capture actinide behavior on the timescale of decades and (2) Fundamental Laboratory Studies (Research Thrust 2) that isolate specific biogeochemical processes observed in the field. These Research Thrusts are underpinned by the unique capabilities and staff expertise at Lawrence Livermore National Laboratory, allowing the BioGeoChemistry at Interfaces SFA to advance our understanding of actinide migration behavior in the environment, and serve as an international resource for environmental radiochemistry research (Figure 1).
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
2021 Thermal Energy Storage Systems for Buildings Workshop: Priorities and Pathways to Widespread Deployment of Thermal Energy Storage in Buildings
The 2021 U.S. Department of Energy's (DOE) "Thermal Energy Storage Systems for Buildings Workshop: Priorities and Pathways to Widespread Deployment of Thermal Energy Storage in Buildings" was hosted virtually on May 11 and 12, 2021. This report provides an overview of the workshop proceedings. Organized by DOE's Building Technologies Office (BTO), the National Renewable Energy Laboratory, Lawrence Berkeley National Laboratory, and Oak Ridge National Laboratory, the workshop convened more than 600 stakeholders from around the world to discuss the need for advancing the deployment of thermal energy storage (TES) in buildings. This workshop was designed to build on BTO's webinar series and 2019 workshop. The goals of this workshop were to promote discussion on TES related to: 1. Market adoption and deployment barriers, 2. Key applications and value drivers, 3. System cost, performance, and market requirements, and 4. End-use specific needs. The workshop took place over two days and consisted of keynote presentations, moderated panels, breakout sessions, and open discussion forums. The keynote presentations introduced opportunities for building TES, barriers to widespread deployment, and future visions. Moderated panel discussions presented diverse perspectives, breakout sessions provided opportunities for more intimate conversations, and open discussions captured feedback from the entire workshop group. Over the course of the two days, attendees exchanged experiences and ideas surrounding multiple aspects of TES in buildings. The first section of this report provides background on the motivations behind advancing TES for residential and commercial buildings and elaborates on the workshop objectives. The second section details the workshop structure and participant demographics. The third section provides key findings of the discussions that took place during the breakout sessions. Finally, this report details recommendations and actions to increase the TES deployment. Several recommendations from workshop attendees are presented in Table ES-1. TES holds significant potential to help increase building efficiency, grid-interactivity, and energy resilience, as well as reduce associated carbon emissions. The outputs generated from this workshop will aid stakeholders in advancing TES in buildings through a deeper understanding of the opportunities and barriers surrounding widespread deployment.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Request for Information: Access to Quantum Systems
Quantum science and technology is a focal point of research at Lawrence Livermore National Laboratory (LLNL). Quantum-coherent devices offer the potential for unprecedented precision in sensing and the ability to directly simulate complex quantum phenomena that have no known efficient classical algorithms. Thus, development and implementation of quantum technologies is expected to have a significant impact on our ability to address some of the most complex national security problems. LLNL maintains projects involving a broad spectrum of Quantum Information Science (QIS) research activities including investigating sources of decoherence, the 3DQ microscope, studies into quantum interconnects, 3-D printed ion traps, fusion energy and nuclear physics simulations, modeling for data-starved environments, and quantum sensing, including accelerometry and timing.
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Schema Elements for Granta Annual Report
Granta: Materials Intelligence, also known as Granta:MI or Granta, is a commercial database software by Ansys, Inc. that is utilized by the Nuclear Security Enterprise (NSE) to organize and store materials data relevant to the complex. The software was first adopted by individual sites in the early 2000’s, but in FY20, enterprise-wide licensing was purchased for the NSE by the Product Realization Integrated Digital Enterprise (PRIDE) program. Currently, there are 375 floating licenses available for users at all sites. There are also two shared instances of Granta; a classified production instance on the Enterprise Secure Network (ESN) and an unclassified development instance. Additionally, some individual sites such as Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), Sandia National Laboratories (SNL), Kansas City National Security Campus (KCNSC), and Savannah River National Laboratory (SRNL) host their own local Granta instances on their own networks that, in general, only their employees can access.
36 MATERIALS SCIENCE↗
IMS Rapid Response FY21 Summary Report for: Integrating Patterned Probes with Four-Dimensional Scanning Transmission Electron Microscopy for Unrivaled Crystallographic Structure Determination in Nanomaterials
The initial goal of our 4-dimensional scanning transmission electron microscopy (4D-STEM)-based project was to develop strain resolution two orders of magnitude better than what is now currently possible with electron-based scattering techniques, all while collecting scattering information from 7 different tilt axes at one time [multi-beam electron diffraction (MBED)1 ] through the development of a new electron probe-forming aperture with non-circular features (patterned probes 2 ). We set out to accomplish this through a collaboration with Drs. Colin Ophus and Ben Savitsky at Lawrence Berkeley Laboratory (they are the world-leading experts in developing the complex computational codes required to perform orientation analysis and quantitative strain mapping on our 4D-STEM data sets. We are motivated to invest in this area as it will be the only technique sensitive enough to perform three- dimensional automated crystallographic orientation mapping (ACOM) and strain mapping for materials exposed to external stimulus (a focus of our larger efforts).
36 MATERIALS SCIENCE↗
Central Asia Seismic Hazard Assessment (Casha) "Complete" Catalog of Earthquakes
Probabilistic Seismic Hazard Assessments (PSHA) greatly benefit from reliable earthquake catalogs. Central Asia, while rich in seismic monitoring history, reports a fraction of their earthquake data to international data collection centres. Furthermore, since the collapse of Soviet Union until now, monitoring and data collection efforts in Central Asia have not been centralized, making monitoring and reporting uneven and disconnected in this time period. Lawrence Livermore National Laboratory (LLNL) has undertaken a multi-year effort to systematically work with national seismic monitoring and data centres and seismic networks in Kazakhstan, Kyrgyzstan, and Tajikistan to compile a unified seismological bulletin for Central Asia. In tandem with this effort, an earthquake catalog that is processed to be PSHA ready was also generated. The processing for this effort included further duplicate identification and removal, magnitude harmonization and catalog completeness analyses. This report describes the “complete” PSHA-ready earthquake catalog, including the completeness intervals that were applied.
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Dynamic Polymer Networks for On Demand Degradable Adhesives, Scaffolds, and Templates (Full Technical Report)
This feasibility study was motivated by a need for alternative mandrel materials to meet the next generation of inertial confinement fusion (ICF) ablator capsules. In response, a new polymer material based on reversible covalent bonds was proposed, with the objective to design thermosets to withstand elevated temperatures (140-200 degrees Celsius) while also being thermally degradable on-demand via controlled decomposition at temperatures above 200 degrees Celsius. A series of cyclopentadiene (Cp) containing thermosets were designed and synthesized to evaluate curing, reversibility and degradability via controlled retro-Diels Alder reactions using Cp-cycloaddition adducts as crosslinks. Ultimately, the current iteration of materials and strategy pursued in this study was assessed as impractical for meeting the needs and objectives of Lawrence Livermore National Laboratory’s (LLNL) target fabrication program.
36 MATERIALS SCIENCE↗
Dynamic Networks for On Demand Degradable Adhesives, Scaffolds and Templates (Abbreviated Final Report)
This feasibility study was motivated by a need for alternative mandrel materials to meet the next generation of inertial confinement fusion (ICF) ablator capsules. In response, a new polymer material based on reversible covalent bonds was proposed, with the objective to design thermosets to withstand elevated temperatures (140-200 degrees Celsius) while also being thermally degradable on-demand via controlled decomposition at temperatures above 200 degrees Celsius. A series of cyclopentadiene (Cp) containing thermosets were designed and synthesized to evaluate curing, reversibility and degradability controlled via retro-Diels Alder reactions using Cp-cycloaddition adducts as crosslinks. Ultimately, the current iteration of materials and strategy pursued in this study was assessed as impractical for meeting the needs and objectives of Lawrence Livermore National Laboratory’s (LLNL) target fabrication program.
36 MATERIALS SCIENCE↗
Application of Machine Learning to Improve Biobased Glucaric Acid Production (CRADA 504)
The Agile Biofoundry (ABF) is a multi-national lab consortium funded by the DOE Bioenergy Technologies Office that has developed a biofoundry that enables the rapid deployment of bioproducts into the market. Working with four ABF laboratory members (National Renewable Energy Laboratory (NREL), Pacific Northwest National Laboratory (PNNL), Lawrence Berkeley National Laboratory (LBNL), and Argonne National Laboratory (ANL)), Kalion will use advanced high throughput techniques, advanced analytics, and machine learning to optimize the production environment for glucaric acid. Low-cost, high-purity glucaric acid enables products in a wide range of fields to improve the chemical properties of products and applications ranging from water treatment, polymers & textiles, coatings, detergents, and pharmaceuticals. With its broad range of applications, glucaric acid has the potential to demonstrate how such bio-based materials offer great benefit to the US economy.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗