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At least 1,657 records · Page 92

BioGeoChemistry at Interfaces (LLNL SFA OBER FY22 Program Management and Performance Report)

The focus of the BioGeoChemistry at Interfaces 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 that capture actinide behavior on the timescale of decades (Research Thrust 1), and (2) Fundamental Laboratory Studies that isolate specific biogeochemical processes observed in the field (Research Thrust 2). 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 resource for environmental radiochemistry research internationally. In the past year, our greater focus on transient redox gradients across stratified waters, sediment-water interfaces, and mineral-water interfaces extended our research beyond actinides to address processes controlling cycling of redox-sensitive metals more broadly. Nevertheless, Research Thrusts 1 and 2 are guided by the following broad central hypotheses that were developed during our last program review held at the end of FY18: Thrust 1 Hypothesis: Biogeochemical processes occurring on the timescale of years to decades lead to greater actinide recalcitrance in sediments and limits their migration in surface and groundwater. Thrust 2 Hypothesis: Long-term biogeochemical processes include mineral and surface alteration, which leads to stabilization of actinide surface associations or incorporation into mineral precipitates. Our strategic goal is to use the knowledge gained from our Science Plan to advance our understanding of the behavior of actinides and other radionuclides (e.g. Cs) and provide DOE with the scientific basis for remediation and long-term stewardship of DOE’s legacy sites. More broadly, we will enhance our understanding of transport phenomena in environmental systems sciences with a particular emphasis on environmentally relevant (long-term) timescales. While we retain our focus on actinide biogeochemistry, our increased focus on overall biogeochemical processes occurring at unique Test Bed locations associated with this SFA provides fundamental information on abiotic and biotic redox processes that control the cycling of redox sensitive metals under dynamic and transient conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ study of Crystal Surface Interactions Guided by Biomolecules or Ligands

Ligands or biomolecules commonly exist and play a key role in particle-mediated materials growth, leading to a wide variety of structures. However, it is not fully understood how these organic molecules control forces interacting between particles and thus the dynamics of particle assembly. Herein, the overall goal of this project is to gain an understanding of the role of surface-coating materials (ligands and biomolecules) in particle assembly processes; that is, how surface-coating materials determine the interfacial structures of solvent/ligand (biomolecule)/crystal surface and thus the interaction forces.

36 MATERIALS SCIENCE↗

LLNL SFA OBER FY23 Program Management and Performance Report: BioGeoChemistry at Interfaces

The focus of the BioGeoChemistry at Interfaces SFA has been 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 has included: (1) Field Studies that capture actinide behavior on the timescale of decades (Research Thrust 1), and (2) Fundamental Laboratory Studies that isolate specific biogeochemical processes observed in the field (Research Thrust 2). 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 a resource for environmental radiochemistry research internationally (Figure 1). In FY23, our SFA research focused on transient redox gradients across stratified waters, sediment-water interfaces, and mineral-water interfaces to address processes controlling cycling of redox-sensitive metals. Nevertheless, Research Thrusts 1 and 2 are guided by the following broad central hypotheses that were developed during our last program review held at the end of FY18: Thrust 1 Hypothesis: Biogeochemical processes occurring on the timescale of years to decades lead to greater actinide recalcitrance in sediments and limits their migration in surface and groundwater. Thrust 2 Hypothesis: Long-term biogeochemical processes include mineral and surface alteration, which leads to stabilization of actinide surface associations or incorporation into mineral precipitates. Our strategic goal is to use the knowledge gained from our Science Plan to advance our understanding of the behavior of actinides and other radionuclides (e.g. Cs) and provide DOE with the scientific basis for remediation and long-term stewardship of DOE’s legacy sites. More broadly, we are improving our understanding of transport phenomena in environmental systems sciences with a particular emphasis on environmentally relevant (long-term) timescales. While we retained some of our historical focus on actinide biogeochemistry this past fiscal year, biogeochemical processes occurring at unique Test Bed locations associated with this SFA provide fundamental information on abiotic and biotic redox processes that control the cycling of redox sensitive metals under dynamic and transient conditions. Furthermore, in collaboration with SFA teams at Argonne National Laboratory, our SFA has begun to transition away from the current research focus and develop a new research program in terrestrial wetland systems. The Terrestrial Wetland Function and Resilience SFA program plan will be delivered to the Environmental System Science (ESS) program within BER at the end of FY23.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Comparison of Adverse Meteorology Inputs for Emergency Management and Safety Basis Dispersion Modeling Applications at SRS

The MELCOR Accident Consequence Calculation System (MACCS), used for safety basis accident analyses at SRS, implements adjustment factors to consider the increased vertical turbulence associated with local surface roughness and the increased lateral turbulence associated with time-based plume meander. The two models used for SRS emergency planning radiological consequence assessment, i.e., Hotspot and Puff/Plume, currently do not have an option to input or apply diffusion adjustments for meander or surface roughness. Adverse meteorology conditions at SRS have been determined as E stability class and 1.3 meters per second wind speed for ground level releases. This is the input used for emergency planning models. Contrastingly safety basis analyses use a different input, representing adverse meteorology values as F stability class and wind speeds of 1.3 meters per second (for a ground level release). This results in an apparent discrepancy between the two approaches. In this report we document the differing modeling assumptions, discuss the logic behind each modeling approach used to represent local roughness and plume meander conditions, and numerically compare dispersion coefficients and concentration estimates obtained from each set of model inputs.

54 ENVIRONMENTAL SCIENCES↗

UNR Grant Proposal Contribution

The work of Carrier et. al. (citation needed for Matt’s effect of surface roughness on phase transitions/ETI paper) demonstrates that 1D and 2D resistive magnetohydrodynamic (MHD) simulations can reliably model exploding aluminum rods driven by megaampere currents. Close agreement between simulation results and photonic Doppler velocimetry data from the Mykonos electrothermal instability (METI-II) campaign builds confidence in predictive modelling capabilities for pulsed-power HED experiments. Furthermore, 2D MHD simulations show how machined features and micro-scale surface roughness can seed the electrothermal instability (ETI). Surface roughness was observed to reduce the time of melt by 19%, with ETI growth driving the enhanced heating of the rod surface.

36 MATERIALS SCIENCE↗

Advancements in High-Q development for novel medium-velocity 644 MHz 5-cell elliptical superconducting RF cavities for continuous-wave operation in heavy-ion linacs

The Facility for Rare Isotope Beams is a world-leading center for experimental nuclear physics research, and relies on a first-in-kind superconducting RF driver linac to supply 400 kW beams of a uniquely large range of particles, from protons through the heaviest uranium ions. The FRIB400 project proposes to double the end energy of the current superconducting FRIB linac for the heaviest uranium ions from 200 MeV per nucleon (MeV/u) to 400 MeV/u, which equates to approximately 1 GeV for protons. The increased rare isotope production from higher-energy drive beams would deliver new and exciting capabilities to FRIB users, which include extending the facility's reach along the neutron drip-line, greatly increasing the facility's rare isotope yield, and significantly improving the precision of parameter measurements for the nuclear matter equation of state, which is a particularly timely complement to the recent advent of multi-messenger astronomy, and the study of neutron star mergers. The unique set of design parameters defined by the 400 MeV/u (uranium) energy goal, the physical size, continuous-wave operation, and cryogenic capacity of the extant facilities at FRIB, requires development of a first-in-kind beta = v/c = 0.65, 644 MHz 5-cell elliptical superconducting RF (SRF) cavity, with field-leading efficiency, measured by the cavity's intrinsic quality factor, Q_0. The field of SRF has recently experienced a very active period of development, which demonstrated the potential to raise the Q_0 of 1.3 GHz cavities by factors of two to three or more. In addition to uncovering fascinating new properties of the fundamental physics of superconducting RF phenomena, these improvements suggest substantial improvements could be made over the minimum Q_0 of the proposed FRIB400 upgrade SRF cavities, if these new techniques can be adapted to the beta = 0.65, 644 MHz regime. This work presents the first validation of the the novel beta = 0.65, 644 MHz 5-cell elliptical superconducting RF cavity design, and the first results of both conventional and advanced RF surface preparation techniques. In particular, this work focuses on two recently-developed high-Q_0 recipes: N-doping, and furnace baking, setting the current world-record Q_0 for this type of resonant cavity at 3.8 x 10^10 at the FRIB400 operating gradient of 17.5 MV/m. We also find evidence that these results may be further improved upon, and make the case for further RF surface preparation recipe optimization. We then pair these high-power RF investigations with techniques borrowed from material science to try to better understand the ways in which specific properties of the niobium material, such as grain structure and superconducting flux pinning force, can be related to its superconducting RF performance. These experiments better elucidate the effects of high-temperature annealing on niobium samples, which suggest methods of further optimizing cavity flux expulsion and thus SRF performance.Read

McGee, Kellen E.↗

A Comprehensive Review on Finite Element Analysis of Laser Shock Peening

Laser shock peening (LSP) is a formidable cold working surface treatment that provides high-energy precision to enhance the mechanical properties of materials. This paper delves into the intricacies of the LSP process, offering insights into its methodology and the simulation thereof through the finite element method. This review critically examines various points, such as laser energy, overlapping of shots, effect of LSP on residual stress, effect of LSP on grain refinement, and algorithms for simulation extrapolated from finite element analyses conducted by researchers, shedding light on the nuanced considerations integral to this technique. As the significance of LSP continues to grow, the collective findings underscore its potential as a transformative technology for fortifying materials against mechanical stress and improving their overall performance and longevity. The discourse encapsulates the evolving landscape of the LSP, emphasizing the pivotal role played by finite element analysis in advancing our understanding and application of this innovative surface treatment.

36 MATERIALS SCIENCE↗

Achievement of the Planetary Defense Investigations of the Double Asteroid Redirection Test (DART) Mission

NASA's Double Asteroid Redirection Test (DART) mission was the first to demonstrate asteroid deflection, and the mission's Level 1 requirements guided its planetary defense investigations. Here, we summarize DART's achievement of those requirements. On 2022 September 26, the DART spacecraft impacted Dimorphos, the secondary member of the Didymos near-Earth asteroid binary system, demonstrating an autonomously navigated kinetic impact into an asteroid with limited prior knowledge for planetary defense. Months of subsequent Earth-based observations showed that the binary orbital period was changed by –33.24 minutes, with two independent analysis methods each reporting a 1 σ uncertainty of 1.4 s. Dynamical models determined that the momentum enhancement factor, β , resulting from DART's kinetic impact test is between 2.4 and 4.9, depending on the mass of Dimorphos, which remains the largest source of uncertainty. Over five dozen telescopes across the globe and in space, along with the Light Italian CubeSat for Imaging of Asteroids, have contributed to DART's investigations. These combined investigations have addressed topics related to the ejecta, dynamics, impact event, and properties of both asteroids in the binary system. A year following DART's successful impact into Dimorphos, the mission has achieved its planetary defense requirements, although work to further understand DART's kinetic impact test and the Didymos system will continue. In particular, ESA's Hera mission is planned to perform extensive measurements in 2027 during its rendezvous with the Didymos–Dimorphos system, building on DART to advance our knowledge and continue the ongoing international collaboration for planetary defense.

79 ASTRONOMY AND ASTROPHYSICS↗

Ecobuoys for Scalable Oceanography

An approach to scalable surface-drifting buoys is needed to enable the high spatial and temporal resolution of oceanographic data that the science and meteorological communities are asking for. With the number of active buoys predicted to increase by a factor of 100 or more, the impact on the environment becomes even more important. Here, we present a pathway to a scalable and sustainable generation of buoys. We identify the main criteria to be used when developing such buoys to be low cost, with reliable data and neutral or even positive environmental impact. For each buoy subsystem—hull, electronics, energy generation and storage, sensors, and communication system—cutting-edge technological solutions are presented, many of them from emerging research in marine or other disciplines. We then assess the potential solutions against the design criteria and plot a path toward small, environmentally friendly, low-cost, and low-power buoys.

54 ENVIRONMENTAL SCIENCES↗

ARM Data for Examining the Ice-Nucleating Particles from SGP Part II (ExINP-SGP II) Gas Adsorption Analyzer

Knowledge of airborne particulate matter (PM), especially the particles that have supermicron diameters, is key for understanding ice-nucleating particles (INPs). Supported by the Atmospheric Radiation Measurement (ARM) user facility, we sampled PM and surface soil materials at the Southern Great Plains observatory (SGP; 36° 36′ 18″ N, 97° 29′ 6″ W) to systematically compare the INP abundance and ice nucleation efficiency of different SGP samples (i.e., airborne versus surface materials). The field campaign, named Examing INP from SGP II (ExINP-SGP II), was conducted from 20 January to 20 April, 2021. Our data analysis products include (1) physical surface sorption characterization data (i.e., BET, pore volume) of two sets of samples -- SGP Soil and USDA, (2) X-ray diffraction spectra for the same two samples, (3) immersion freezing assay-based ice nucleation active mass density data as a function of freezing temperature for both ambient and surface samples, and (4) time-series data of ambient meteorological conditions, concentration particle counter-derived aerosol particle concentration, and aerosol particle sizer measurement during ExINP-SGP II.

3Flex,BET specific surface area and pore volume, A↗

Arctic sea ice albedo: Spectral composition, spatial heterogeneity, and temporal evolution observed during the MOSAiC drift

The magnitude, spectral composition, and variability of the Arctic sea ice surface albedo are key to understanding and numerically simulating Earth’s shortwave energy budget. Spectral and broadband albedos of Arctic sea ice were spatially and temporally sampled by on-ice observers along individual survey lines throughout the sunlit season (April–September, 2020) during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. The seasonal evolution of albedo for the MOSAiC year was constructed from spatially averaged broadband albedo values for each line. Specific locations were identified as representative of individual ice surface types, including accumulated dry snow, melting snow, bare and melting ice, melting and refreezing ponded ice, and sediment-laden ice. The area-averaged seasonal progression of total albedo recorded during MOSAiC showed remarkable similarity to that recorded 22 years prior on multiyear sea ice during the Surface Heat Budget of the Arctic Ocean (SHEBA) expedition. In accord with these and other previous field efforts, the spectral albedo of relatively thick, snow-free, melting sea ice shows invariance across location, decade, and ice type. In particular, the albedo of snow-free, melting seasonal ice was indistinguishable from that of snow-free, melting second-year ice, suggesting that the highly scattering surface layer that forms on sea ice during the summer is robust and stabilizing. In contrast, the albedo of ponded ice was observed to be highly variable at visible wavelengths. Notable temporal changes in albedo were documented during melt and freeze onset, formation and deepening of melt ponds, and during melt evolution of sediment-laden ice. While model simulations show considerable agreement with the observed seasonal albedo progression, disparities suggest the need to improve how the albedo of both ponded ice and thin, melting ice are simulated.

54 ENVIRONMENTAL SCIENCES↗

Tau and Membranes: Interactions That Promote Folding and Condensation

Tau misfolding and assembly is linked to a number of neurodegenerative diseases collectively described as tauopathies, including Alzheimer’s disease (AD) and Parkinson’s disease. Anionic cellular membranes, such as the cytosolic leaflet of the plasma membrane, are sites that concentrate and neutralize tau, primarily due to electrostatic interactions with tau’s microtubule binding repeat domain (RD). In addition to electrostatic interactions with lipids, tau also has interactions with membrane proteins, which are important for tau’s cellular functions. Tau also interacts with lipid tails to facilitate direct translocation across the membrane and can form stable protein-lipid complexes involved in cell-to-cell transport. Concentrated tau monomers at the membrane surface can form reversible condensates, change secondary structures, and induce oligomers, which may eventually undergo irreversible crosslinking and fibril formation. These β-sheet rich tau structures are capable of disrupting membrane organization and are toxic in cell-based assays. Given the evidence for relevant membrane-based tau assembly, we review the emerging hypothesis that polyanionic membranes may serve as a site for phase-separated tau condensation. Membrane-mediated phase separation may have important implications for regulating tau folding/misfolding, and may be a powerful mechanism to spatially direct tau for native membrane-mediated functions.

59 BASIC BIOLOGICAL SCIENCES↗