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At least 1,099 records · Page 61

A High-Speed Rotational Diamond Anvil Cell for In Situ Analysis of Hierarchical Microstructural Evolution of Metallic Alloys during Extreme Shear Deformation

High speed shear deformation is ubiquitous in engineering applications, ranging from material processing methods such as friction stir processing/extrusion and in tribological contacts. However, analyzing the microstructural evolution of materials while they are undergoing high speed shear deformation have been a long-standing challenge. This led to predominant reliance on ex situ microscopy before and after shear deformation. But ex situ microscopy lacks the ability to analyze dynamic and transient hierarchical microstructural evolution mechanisms that could occur during shear deformation of materials. Therefore, to better understand the dynamic mechanisms of mass and energy transfer in materials under shear deformation, we developed a first of its kind high-speed rotational diamond anvil cell (HS-RDAC) for synchrotron-based in situ high-energy x-ray diffraction (XRD). We studied the time resolved lattice strain evolution, XRD peak broadening and changes in spatial variation of shear deformation induced alloying in pure metal and metal alloy sheets and powder mixture using the HS-RDAC. These in situ results were combined with detailed ex situ microstructural characterization before and after the shear deformation using transmission electron microscopy and atom probe tomography, which revealed the different stages of evolution of a shear deformation induced hierarchical nanostructure. Multiscale computational simulations including computational fluid dynamics, crystal plasticity, molecular dynamic simulation and density functional theory uncovered the mechanisms behind morphological changes, evolution of defect structures and changes in driving force for shear deformation induced intermixing. In conclusion, this in situ HS-RDAC capability, in combination with ex situ microstructural characterization and computational simulations, can provide new insights into the hierarchical microstructural evolution pathway during shear deformation.

36 MATERIALS SCIENCE↗

Silencing CHALCONE SYNTHASE in Maize Impedes the Incorporation of Tricin into Lignin and Increases Lignin Content

Lignin is a phenolic heteropolymer that is deposited in secondary-thickened cell walls, where it provides mechanical strength. A recent structural characterization of cell walls from monocot species showed that the flavone tricin is part of the native lignin polymer, where it is hypothesized to initiate lignin chains. In this study, we investigated the consequences of altered tricin levels on lignin structure and cell wall recalcitrance by phenolic profiling, nuclear magnetic resonance, and saccharification assays of the naturally silenced maize (Zea mays) C2-Idf (inhibitor diffuse) mutant, defective in the CHALCONE SYNTHASE Colorless2 (C2) gene. We show that the C2-Idf mutant produces highly reduced levels of apigenin- and tricin-related flavonoids, resulting in a strongly reduced incorporation of tricin into the lignin polymer. Moreover, the lignin was enriched in β-β and β-5 units, lending support to the contention that tricin acts to initiate lignin chains and that, in the absence of tricin, more monolignol dimerization reactions occur. In addition, the C2-Idf mutation resulted in strikingly higher Klason lignin levels in the leaves. As a consequence, the leaves of C2-Idf mutants had significantly reduced saccharification efficiencies compared with those of control plants. These findings are instructive for lignin engineering strategies to improve biomass processing and biochemical production.

59 BASIC BIOLOGICAL SCIENCES↗

Ewald: an extended wide-angle Laue diffractometer for the second target station of the Spallation Neutron Source

Visualizing hydrogen atoms in biological materials is one of the biggest remaining challenges in biophysical analysis. While X-ray techniques have unrivaled capacity for high-throughput structure determination, neutron diffraction is uniquely sensitive to hydrogen atom positions in crystals of biological materials and can provide a more complete picture of the atomic and electronic structures of biological macromolecules. This information can be essential in providing predictive understanding and engineering control of key biological processes, for example, in catalysis, ligand binding and light harvesting, and to guide bioengineering of enzymes and drug design. One very common and large capability gap for all neutron atomic resolution single-crystal diffractometers is the weak flux of available neutron beams, which results in limited signal-to-noise ratios giving a requirement for sample volumes of at least 0.1 mm 3 . The ability to operate on crystals an order of magnitude smaller (0.01 mm 3 ) will open up new and more complex systems to studies with neutrons which will help in our understanding of enzyme mechanisms and enable us to improve drugs against multi resistant bacteria. With this is mind, an extended wide-angle Laue diffractometer, `Ewald', has been designed, which can collect data using crystal volumes below 0.01 mm 3 .

36 MATERIALS SCIENCE↗

Molecular Characterization of Bacterial Respiration on Minerals

The overall aim of this project was to contribute to our fundamental understanding of proteins and biological processes under extreme environmental conditions. We sought to define the biochemical and physiological mechanisms that underlie biodegradative and other cellular processes in normal, extreme, and engineered environments. Toward that end, we sought to understand the substrate oxidation pathways, the electron transport mechanisms, and the modes of energy conservation employed during respiration by bacteria on soluble iron and insoluble sulfide minerals. In accordance with these general aims, the specific aims were two-fold: To identify, separate, and characterize the extracellular biomolecules necessary for aerobic respiration on iron under strongly acidic conditions; and to elucidate the molecular principles whereby these bacteria recognize and adhere to their insoluble mineral substrates under harsh environmental conditions. The results of these studies were described in a total of nineteen manuscripts.

59 BASIC BIOLOGICAL SCIENCES↗

Summary of Plutonium-238 Production Alternatives Analysis (Final Report)

The Team implemented a two-phase evaluation process. During the first phase, a wide variety of past and new candidate facilities and processing methods were assessed against the criteria established by DOE for this assessment. Any system or system element selected for consideration as an alternative within the project to reestablish domestic production of Pu-238 must meet the following minimum criteria: Any required source material must be readily available in the United States, without requiring the development of reprocessing technologies or investments in systems to separate material from identified sources. It must be cost, schedule, and risk competitive with existing baseline technology. Any identified facilities required to support the concept must be available to the program for the entire project life cycle (notionally 35 years, unless the concept is so novel as to require a shorter duration). It must present a solution that can generate at least 1.5 Kg of Pu-238 oxide per year, for at least 35 years. It must present a low-risk, near-term solution to the National Aeronautics and Space Administration’s urgent mission need. DOE has implemented this requirement by eliminating from project consideration any alternative with key technologies at less than Technology Readiness Level 5. The Team evaluated the options meeting these criteria using a more detailed assessment of the reasonable facility variations and compared them to the preferred option, which consists of target irradiation at the Advanced Test Reactor (ATR) and the High Flux Isotope Reactor (HFIR), target fabrication and chemical separations processing at the ORNL Radiochemical Engineering Development Center, and neptunium 237 storage at the Materials and Fuels Complex at INL. This preferred option is consistent with the Records of Decision from the earlier National Environmental Policy Act (NEPA) documentation

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Sandia National Laboratories Ten-Year Site Plan (Fiscal Year 2016)

During the next 10 years, Sandia’s most critical investments are as follows: 1) Complete the Sandia Silicon Fabrication Revitalization (SSiFR) initiative to replace outdated microelectronics production tools, capital equipment, and processes at the Microsystems and Engineering Sciences Applications (MESA) Complex. 2) Plan, design, and construct the Rad Hard Foundry to sustain the microelectronics-trusted foundry capability in support of critical microsystems science and technology (S&T) for NNSA and SPP. 3) Plan, design, and construct the Weapons Engineering Facility (WEF) to recapitalize core NW capabilities in R&D facilities and excess major buildings that are at the end of their designed service lives. 4) Plan, design, and construct the Emergency Operations and Response Center (EORC) to provide emergency incident management from a modern facility that serves and supports both local and national response teams. 5) Continue to facilitate the deactivation and eventual renovation or demolition of Building 892, a 60-year old facility that is rapidly approaching functional obsolescence.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Results for the Fourth Quarter Calendar Year 2015 Tank 50H Salt Solution Sample

In this memorandum, the chemical and radionuclide contaminant results from the Fourth Quarter Calendar Year 2015 (CY15) sample of Tank 50H salt solution are presented in tabulated form. The Fourth Quarter CY15 Tank 50H samples were obtained on October 29, 2015 and received at Savannah River National Laboratory (SRNL) on October 30, 2015. The information from this characterization will be used by Defense Waste Processing Facility (DWPF) & Saltstone Facility Engineering for the transfer of aqueous waste from Tank 50H to the Salt Feed Tank in the Saltstone Production Facility, where the waste will be treated and disposed of in the Saltstone Disposal Facility. This memorandum compares results, where applicable, to Saltstone Waste Acceptance Criteria (WAC) limits and targets. Data pertaining to the regulatory limits for Resource Conservation and Recovery Act (RCRA) metals will be documented at a later time per the Task Technical and Quality Assurance Plan (TTQAP) for the Tank 50H saltstone task. The chemical and radionuclide contaminant results from the characterization of the Fourth Quarter Calendar Year 2015 (CY15) sampling of Tank 50H were requested by SRR personnel and details of the testing are presented in the SRNL Task Technical and Quality Assurance Plan.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Results For The Third Quarter Calendar Year 2016 Tank 50H Salt Solution Sample

In this memorandum, the chemical and radionuclide contaminant results from the Third Quarter Calendar Year 2016 (CY16) sample of Tank 50H salt solution are presented in tabulated form. The Third Quarter CY16 Tank 50H samples (a 200 mL sample obtained 6” below the surface (HTF-5-16-63) and a 1 L sample obtained 66” from the tank bottom (HTF-50-16-64)) were obtained on July 14, 2016 and received at Savannah River National Laboratory (SRNL) on the same day. Prior to obtaining the samples from Tank 50H, a single pump was run at least 4.4 hours, and the samples were pulled immediately after pump shut down. The information from this characterization will be used by Defense Waste Processing Facility (DWPF) & Saltstone Facility Engineering for the transfer of aqueous waste from Tank 50H to the Saltstone Production Facility, where the waste will be treated and disposed of in the Saltstone Disposal Facility. This memorandum compares results, where applicable, to Saltstone Waste Acceptance Criteria (WAC) limits and targets. Data pertaining to the regulatory limits for Resource Conservation and Recovery Act (RCRA) metals will be documented at a later time per the Task Technical and Quality Assurance Plan (TTQAP) for the Tank 50H saltstone task. The chemical and radionuclide contaminant results from the characterization of the Third Quarter CY16 sampling of Tank 50H were requested by Savannah River Remediation (SRR) personnel and details of the testing are presented in the SRNL TTQAP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Wire Arc Additive Manufacturing

Project highlight. This project designs and implements a new additive manufacturing capability at Savannah River National Laboratory. Wire Arc Additive Manufacturing is an Advanced Manufacturing technology that enables materials and energy savings by producing materials that are in near net shapes to minimize material losses compared to conventional forging and machining techniques. Wire arc additive manufacturing is an evolving technology that can be used to fabricate large components with significantly less materials waste than conventional processing. This project includes an engineering model, an aspect that is largely overlooked in the Additive Manufacturing modeling work where the emphasis has been on mechanistic and microscopic modeling, to estimate the residual stresses and distortions. The Abaqus Weld Interface software coupled with user subroutines in Fortran enable the local cooling rates to be estimated to provide a coarse scale model for the secondary dendrite arm spacing, a parameter useful to estimate mechanical properties.

36 MATERIALS SCIENCE↗

Mapping the Opportunity Space to Model the Circular Economy Using Tools Funded by the DOE Office of Energy Efficiency and Renewable Energy

An increasing rate of material consumption and a growing population mean that the Earth's supply of natural resources is witnessing an unsustainable and unprecedented demand. This forces us to find solutions that ensure the availability of resources for sustenance of our society in the years to come. Actors from various backgrounds are addressing these challenges from their own perspectives: engineers are developing efficient manufacturing processes, designers are creating lightweight and durable products, educators are incorporating sustainable thinking in their curricula, policymakers are finding interdisciplinary solutions that benefit society at large, etc. Circular economy (CE) is one such approach to resource use that aims to move away from the linear material use framework of "take-make-waste" to a more circular and interdependent system where product, material and resource use is maximized to avoid unnecessary social, economic, and environmental costs. The purpose of this report is to explain how to approach evaluating the circular economy and to help researchers identify existing tools that can be used or that can serve as starting points for their research needs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

High Yield, Economical and Environmentally Benign Production of Rare Earth Elements from Coal Ash (Phase II Final Summary Report)

Fly ash stored in landfills and ponds across the United States is an attractive, abundant domestic resource for the cost-effective recovery of rare earth elements (REE) and other critical minerals (CM). Physical Sciences Inc. (PSI) and its team members, Winner Water Services (WWS) and University of Kentucky/Center for Applied Energy Research (UK/CAER) successfully executed a multiphase program that developed technologies and their implementation in a pilot plant. We demonstrated plant operations for cost-effective and environmentally-friendly production of rare earth element oxide (REO) concentrates, and the critical minerals scandium and aluminum (in the forms of salts or oxide products), from coal ash. We also constructed and demonstrated a research-scale (0.5 kg/day) micropilot facility to validate the key physical and chemical processing operations, predict yields, and troubleshoot process bottlenecks. The project team then designed, constructed and operated two decoupled pilot plants: (1) an operational pilot plant for physical separation processes with capacity of 0.4 metric tons per day (tpd), where we optimized processes to produce selected ash fractions as the feedstock for chemical processing and as valuable byproducts such as cenospheres, magnetic ash, and secondary fuel carbon, and (2) an operational pilot plant for chemical ash processing with a capacity of 0.5 tpd that developed optimized processes for the production of: (a) REO concentrates, (b) critical minerals (Sc, Al), and (c) beneficiated ash as a valuable byproduct suitable for cement applications. In Phase I, the project team (with Equinox Chemicals in place of WWS) developed and demonstrated the feasibility of the physical and chemical separation processes, developed the design of a pilot plant, and began the development of a preliminary techno-economic model. In the baseline (initial) Phase II program, the project team developed and demonstrated the above pilot scale plant, producing salable REE concentrates, including Y and Sc (REYSc), plus commercially viable byproducts, using environmentally safe and high-yield physical and chemical enrichment processes. The team successfully demonstrated chemical pilot design, construction, shakedown, and operations of the plant. We produced the Phase II deliverable REYSc concentrate ((50 g of >60 wt.% purity REYSc salts on elemental basis), generated the feed for the Phase II follow-on program, identified processing challenges for future optimizations, and refined the techno-economic model. In the Phase II follow-on program, the project team: (1) developed and demonstrated processes to increase the REE amount by 3X (content basis) and convert the Phase II REE salt mixture to an oxide mixture, (2) produced/delivered >38 g of REO mixture with >85 wt.% purity (elemental basis); (3) developed processes to recover critical minerals scandium and aluminum from intermediate streams; (4) produced/delivered > 1 g of scandium salt mixture with >85 wt. % purity (elemental basis); (5) produced/delivered > 100 g of aluminum oxide type material with >70% wt. purity (elemental basis); and (6) updated the techno-economic model from the baseline Phase II program to assess CAPEX and OPEX of a commercial operation. This program has developed extensive databases on process chemistry, unit operations, plant engineering, and techno-economics that will enable further scale-up toward commercial plant design. Specific future developments will be focused on achieving dramatic savings in energy, reagent usage, and operating costs. The combined results will contribute significantly for maturing the technologies of REE recovery from coal byproducts and promote the establishment of domestic REE and CM supply chains.

01 COAL, LIGNITE, AND PEAT↗

Review of Mercury Sequestration in Cementitious Waste Forms

Decontaminated salt solution from Tank 50 at the Savannah River Site (SRS) is known to contain dissolved mercury species which are present as hydroxides and oxides. These species are reported in analytical measurements as the organic cation [CH 3 Hg] + and the inorganic cation Hg 2+ . The salt solution is mixed with cementitious reagents, blast-furnace slag (BFS) and thermally beneficiated Class F fly ash in the Saltstone Processing Facility and pumped into engineered Saltstone Disposal Units, (SDUs), to produce a solidified waste form. The solidified waste form, saltstone, encapsulates and chemically stabilizes the mercury and other contaminants, sequestering them from release into the environment. With the discovery of methylmercury in the salt solution, testing was performed to determine the extent to which saltstone prepared with methylmercury (MeHg) retains mercury in the Toxicity Characteristic Leaching Procedure (TCLP). Results from this testing indicated that the amount of mercury extracted remained below the regulatory limit, and that the saltstone formulation with a greater proportion of BFS performed slightly better at retaining Hg in the solid.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Technical Assessment of Proposed LAW Simulant for Cold Commissioning

Prior to radioactive operations, the Hanford Tank Waste Treatment and Immobilization Plant (WTP) will implement a cold-commissioning plan or strategy that will include water runs and other melter feed simulants to not only test the various engineering systems, unit operations, and processing strategies with respect to safety and performance, but to also allow facility operations to gain operational experience before introducing radioactive material into the vitrification facilities. Based on direction from Bechtel National, Inc. to eliminate nitrogen oxide (NOx) generation, EnergySolutions has recommended the use of a simple NaOH solution with glass formers to support this stage of testing during cold commissioning.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Engineered Barrier System Research Activities at SNL: FY25 Report

This report describes research and development (R&D) activities conducted at Sandia National Laboratories (SNL) during Fiscal Year 2025 (FY25) specifically related to the Engineered Barrier System (EBS) Properties & Processes Work Package in the Spent Fuel and High-Level Waste Disposition (SFHLWD) Campaign supported by the United States (U.S.) Department of Energy (DOE). SNL activities focus on understanding EBS component evolution and interactions within the EBS, as well as interactions between the host media and the EBS. The team represented in this report consists of individuals from SNL, Argonne National Laboratory (Advanced Photon Source), and Vanderbilt University. The activities represented in this report include development of anion sorbent materials for buffer formulations, properties of pure bentonite and bentonite mixtures, and characterization of cement interfaces relevant to the EBS. The SNL EBS activities also leverage interactions with EBS teams from other national laboratories, and international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Electrically heated particulate filter using catalyst striping

An exhaust system that processes exhaust generated by an engine is provided. The system generally includes a particulate filter (PF) that filters particulates from the exhaust wherein an upstream end of the PF receives exhaust from the engine. A grid of electrically resistive material is applied to an exterior upstream surface of the PF and selectively heats exhaust passing through the grid to initiate combustion of particulates within the PF. A catalyst coating is applied to the PF that increases a temperature of the combustion of the particulates within the PF.

33 ADVANCED PROPULSION SYSTEMS↗

Diesel particulate filter regeneration via resistive surface heating

An exhaust system that processes exhaust generated by an engine is provided. The system includes: a particulate filter (PF) that filters particulates from the exhaust wherein an upstream end of the PF receives exhaust from the engine; and a grid of electrically resistive material that is applied to an exterior upstream surface of the PF and that selectively heats exhaust passing through the grid to initiate combustion of particulates within the PF.

42 ENGINEERING↗

Electrical diesel particulate filter (DPF) regeneration

An exhaust system that processes exhaust generated by an engine includes a diesel particulate filter (DPF) that is disposed downstream of the engine and that filters particulates from the exhaust. An electrical heater is disposed upstream of the DPF and selectively heats the exhaust to initiate combustion of the particulates within the exhaust as it passes therethrough. Heat generated by combustion of the particulates induces combustion of particulates within the DPF.

42 ENGINEERING↗

Electrically heated particulate filter embedded heater design

An exhaust system that processes exhaust generated by an engine is provided. The system generally includes a particulate filter (PF) that filters particulates from the exhaust wherein an upstream end of the PF receives exhaust from the engine and wherein an upstream surface of the particulate filter includes machined grooves. A grid of electrically resistive material is inserted into the machined grooves of the exterior upstream surface of the PF and selectively heats exhaust passing through the grid to initiate combustion of particulates within the PF.

42 ENGINEERING↗