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At least 1,081 records · Page 60

The Quantum Nature of the Neutrino

Over the last 100 years we have learned much about the neutrino, but there remain interesting questions about this weakly interacting particle. In particular, at LLNL we are developing an experiment to measure the quantum nature of the neutrino. The 2015 long range plan recom mended tonne-scale neutrinoless double beta decay experiments as the top new project priority and this experiment will target the quantum nature of the neutrino. The LLNL team is motivated and focused on developing the best technology for this experiment which is a liquid xenon time projection chamber called nEXO. Work on nEXO at LLNL started in 2015 with an LDRD and program development funds to de velop the nEXO concept, publish sensitivity predictions, explore alternatives and risks, and to build a credible project team and this effort is on going. In addition, we received research funding from DOE-SC NP and LLNL manages pre-conceptual R&D for the nEXO collaboration a portion of which is executed at LLNL. LLNL has a long history of building large projects, science projects and time projection chambers, but nEXO is in fact the first project of this scale that LLNL is prepared to lead for DOE-SC NP. We have the tools, skills, people and motivation to make nEXO a reality. The current program devel opment dollars are used to prepare the nEXO concept for down select and CD1. These internal LLNL dollars pay for a number of things including project staff to organize the nEXO collaboration for the various reviews, to develop the draft plans and structure to manage the project as well as setting up external advisory committees. The DOE-SC NP base funding is targeted at simulation and analysis of the nEXO concept in preparation for the down select and refinement of the under standing of the detector as well as scientific effort on the large xenon test stand (LXTS) that will burn down one of the largest risks to the nEXO project. Lastly, LLNL is leading the pre-conceptual R&D effort and managing the funds for the nEXO collaboration. LLNL continues to build the best scientific team for nEXO and this year that includes adding Ethan Bernard to lead the efforts on the LXTS. We will also soon add a new postoc, Samuel Hedges, in the fall to the LLNL nEXO team. The effort this year was influenced by the portfolio review, and there were a number of scientific activities led by LLNL to prepare for this review. In addition, we again took a lead role on the new sensitivity paper as well as publishing a paper based analyzing the effects of skin xenon in nEXO. LLNL leads the software and analysis for the project and we continued work in this area as well. High voltage remains a significant risk for the project and we continue to make progress on the LXTS that will mitigate this risk. Lastly we remain active in looking at how to scale the technology to larger scales, and expect to produce a paper on this topic in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Distributed Energy Resource Cybersecurity Standards Development [Final Report]

Currently, the solar industry is operating with little application-specific guidance on how to protect and defend their systems from cyberattacks. This 3-year Department of Energy (DOE) Solar Energy Technologies Office-funded project helped advance the distributed energy resource (DER) cybersecurity state-of-the-art by (a) bolstering industry awareness of cybersecurity concepts, risks, and solutions through a webinar series and (b) developing recommendations for DER cybersecurity standards to improve the security performance of DER products and networks. Drafting DER standards is a lengthy, consensus-based process requiring effective leadership and stakeholder participation. This project was designed to reduce standard and guide writing times by creating well-researched recommendations that could act as a starting place for national and international standards development organizations. Working within the SunSpec/Sandia DER Cybersecurity Workgroup, the team produced guidance for DER cybersecurity certification, communication protocol standards, network architecture s, access control, and patching. The team also led subgroups within the IEEE P 1547.3 Guide for Cybersecurity of Distributed Energy Resources Interconnected with Electric Power Systems committee and pushed a draft to ballot in October 2021.

14 SOLAR ENERGY↗

System Integration of Rationally Designed Dilute Alloy Catalysts for Energy-Efficient Electrochemical CO 2 -To-Fuel Conversion

Energy effiecient electrochemical conversion of CO 2 to high-demand chemicals and transportation fuels using renewable solar and wind energy is a key technology needed for a high-productivity, low-carbon future. However, the development of scalable, low-cost, active, selective, and stable electrocatalysts remains a key challenge that needs to be overcome to enable high-volume conversion of CO 2 to feedstock chemicals for the chemical industry. In previous work, Lawrence Livermore National Laboratory (LLNL) has developed a rational design platform for dilute alloy transition metal electrocatalysts that promise to make electrochemical CO 2 conversion more energy efficient and selective. In this project, we worked with our industrial partners, Twelve and TotalEnergies, to improve scale up, integration, and stability of LLNL’s dilute alloy catalyst technology into an industry-relevant zero gap electrolyzer platform. Through virtual experiments and data analysis, we designed efficient and cost-effective copper-based catalysts. The catalyst was specifically designed to streamline the slowest and most energy-intensive step of the electrochemical chemical transformation of CO 2 to multi-carbon products – that is making the carbon-carbon bond by dimerization of the reaction intermediate carbon monoxide - resulting in up to 10% improvement in energy efficiency for C 2 products while simultaneously increasing the selectivity towards C 2 products. We tested two different scalable catalyst coating technologies and down-selected magnetron sputtering as the technique that provided the best control over catalyst loading, composition, and morphology. Using this technology, we successfully demonstrated integration of our dilute alloy catalysts into a 100 cm 2 electrolyzer platform with Faradaic efficiencies for ethylene production reaching 40% at a current density of 200 mA/cm 2 . We also developed the technology to integrate a well-defined nanoscale porosity by depositing alloy compositions that were compatible with dealloying, that is, selective leaching of an alloy component to generate nanoscale porosity. We observed that integration of the dealloying-derived nanoporosity improved catalyst performance and stability by leading to a more hydrophobic catalyst/anion exchange membrane interface. Unsolved problems that still need to be addressed are corrosion of the Cu catalyst -specifically if the used catalyst is exposed to air - as well as long term stability do to salt formation/deposition and flooding of the catalyst/electrolyzer flow channels, especially at higher current densities. As we only worked on optimization of catalyst composition, coating thickness, and morphology, further performance optimization will require a system level approach that includes optimization of electrolyzer design and membrane technology.

36 MATERIALS SCIENCE↗

Laser Confocal Microscopy Uncertainty Quantification Study

At Los Alamos National Laboratory (LANL), the Storage Safety and Engineering (SSE) team completes annual surveillance on a subset of in-use interim nuclear material storage containers in fulfilment of requirements outlined in DOE Manual M 441.1-1. The containers are selected through several methods, such as subject matter expert judgement, random selection, and trending items. Following these selections, the SSE team has the capacity to complete surveillance on 15-20 containers each fiscal year, composed of a combination of SAVY-4000 and Hagan storage containers. Through previous work, the stainless-steel components of the containers have been identified as life limiting components, with an emphasis on the thin-walled bodies. The team is focused on understanding the extent of general and pitting corrosion, due to observations of extensive corrosion from stored contents and bag-out-bag degradation. Quantifying corrosion effects on the thin-walled stainless steel container bodies, and understanding potential impacts to the respective design release rates and design qualification release rates is paramount to the team. To date, destructive examination (DE) has proven to be the most insightful method for developing an understanding on the extent of corrosion on used containers. To standardize this process, the SSE team developed a destructive examination guide for analyzing stainless steel components of the containers. Corroded containers of interest are identified during surveillance activities and set aside for sectioning and characterization. Following sectioning, a major step in the DE workflow is the utilization of laser confocal microscopy for scanning corroded samples of interest and extracting data on pits, such as count, depth, and equivalent diameter. Adhering to the techniques outlined in the DE guide, analysis has been completed on two Hagans and one SAVY-4000 container, with the maximum pit depth recorded as 139.1 ± 22.82 μm on a 17.5 year old Hagan. The findings from the completed destructive examinations will be utilized to support lifetime extension efforts of the SAVY-4000 as the team can better estimate corrosion rates and effects over time based on stored contents and age. Due to the implications of observing extreme pit depths that approach the nominal container body thickness of .0299 inches (0.759 mm) or minimum container thickness of 0.236” (0.6 mm), high confidence in the LCM measurements is desired. Through testing outlined in, it was concluded that the total error ascribed to the 20x objective when conducting large image mapping on the Keyence VK-X3050 laser confocal microscope (LCM) relative to a 50x objective (reference) is 16.4% (± 8.73%). For shallow features on the order of pristine SAVY surface defects (i.e. 5 μm), this uncertainty is appropriate. However, this conservative estimate of total error poses a fundamental concern for pit depths that approach the thickness of the measured samples. That is, with the measurement uncertainty currently employed on all measurements, the LCM would be unable to resolve if a pit with a depth of 515 μm is through wall. Standard step height samples were procured and used in the present study to assess the resolution and repeatability of height measurements. Understanding the resolution and repeatability of height measurements was the first focus of the team as it relates directly to pit depth, which is of primary concern. Calibration gratings were procured to evaluate the resolution and repeatability of measurements in the X and Y axes of the LCM stage. The results of the depth uncertainty study were conducted first and presented in the subsequent sections. The planar uncertainty study is appended to the depth study with conclusions from both summarized at the end of the report.

36 MATERIALS SCIENCE↗

PID-Regulated Heating System for PIP-II Reference Line

The Proton Improvement Plan 2 (PIP-II) centers on building a new superconducting linear particle accelerator (Linac) at Fermilab. At the heart of the accelerator is the reference line. It is a critical system that defines the ideal path for the beam as it passes through magnets, RF cavities, and other beamline elements. Temperature stability is crucial for the reliable operation of RF components, such as mixers and filters. Fluctuations affect key performance parameters like conversion loss, isolation, and linearity. To mitigate any drift caused by ambient temperature changes, a heating plate assembly is utilized to maintain key components at a controlled temperature of 40 C. Utilizing an actively regulated heating system, a metal-oxide-semiconductor field-effect transistor (MOSFET) based power control circuit which provides input to a controller; forming a closed-loop system that maintains the desired setpoints with high precision.

Mosher, Alexander [U. Illinois, Chicago]↗

Effects of N -glycans on the structure of human IgA2

The transition of IgA antibodies into clinical development is crucial because they have the potential to create a new class of therapeutics with superior pathogen neutralization, cancer cell killing, and immunomodulation capacity compared to IgG. However, the biological role of IgA glycans in these processes needs to be better understood. This study provides a detailed biochemical, biophysical, and structural characterization of recombinant monomeric human IgA2, which varies in the amount/locations of attached glycans. Monomeric IgA2 antibodies were produced by removing the N-linked glycans in the CH1 and CH2 domains. The impact of glycans on oligomer formation, thermal stability, and receptor binding was evaluated. In addition, we performed a structural analysis of recombinant IgA2 in solution using Small Angle X-Ray Scattering (SAXS) to examine the effect of glycans on protein structure and flexibility. Our results indicate that the absence of glycans in the Fc tail region leads to higher-order aggregates. SAXS, combined with atomistic modeling, showed that the lack of glycans in the CH2 domain results in increased flexibility between the Fab and Fc domains and a different distribution of open and closed conformations in solution. When binding with the Fcα-receptor, the dissociation constant remains unaltered in the absence of glycans in the CH1 or CH2 domain, compared to the fully glycosylated protein. These results provide insights into N-glycans’ function on IgA2, which could have important implications for developing more effective IgA-based therapeutics in the future.

59 BASIC BIOLOGICAL SCIENCES↗

Cross-Feature Transfer Learning for Efficient Tensor Program Generation

Tuning tensor program generation involves navigating a vast search space to find optimal program transformations and measurements for a program on the target hardware. The complexity of this process is further amplified by the exponential combinations of transformations, especially in heterogeneous environments. This research addresses these challenges by introducing a novel approach that learns the joint neural network and hardware features space, facilitating knowledge transfer to new, unseen target hardware. A comprehensive analysis is conducted on the existing state-of-the-art dataset, TenSet, including a thorough examination of test split strategies and the proposal of methodologies for dataset pruning. Leveraging an attention-inspired technique, we tailor the tuning of tensor programs to embed both neural network and hardware-specific features. Notably, our approach substantially reduces the dataset size by up to 53% compared to the baseline without compromising Pairwise Comparison Accuracy (PCA). Furthermore, our proposed methodology demonstrates competitive or improved mean inference times with only 25–40% of the baseline tuning time across various networks and target hardware. The attention-based tuner can effectively utilize schedules learned from previous hardware program measurements to optimize tensor program tuning on previously unseen hardware, achieving a top-5 accuracy exceeding 90%. This research introduces a significant advancement in autotuning tensor program generation, addressing the complexities associated with heterogeneous environments and showcasing promising results regarding efficiency and accuracy.

97 MATHEMATICS AND COMPUTING↗

Fluorescent Detection of Carbon Disulfide by a Highly Emissive and Robust Isoreticular Series of Zr-Based Luminescent Metal Organic Frameworks (LMOFs)

Carbon disulfide (CS 2 ) is a highly volatile neurotoxic species. It is known to cause atherosclerosis and coronary artery disease and contributes significantly to sulfur-based pollutants. Therefore, effective detection and capture of carbon disulfide represents an important aspect of research efforts for the protection of human and environmental health. In this study, we report the synthesis and characterization of two strongly luminescent and robust isoreticular metal organic frameworks (MOFs) Zr 6 (µ 3- O) 4 (OH) 8 (tcbpe) 2 (H 2 O) 4 (here termed 1) and Zr 6 (µ 3- O) 4 (OH) 8 (tcbpe-f) 2 (H 2 O) 4 (here termed 2) and their use as fluorescent sensors for the detection of carbon disulfide. Both MOFs demonstrate a calorimetric bathochromic shift in the optical bandgap and strong luminescence quenching upon exposure to carbon disulfide. The interactions between carbon disulfide and the frameworks are analyzed by in-situ infrared spectroscopy and computational modelling by density functional theory. These results reveal that both the Zr metal node and organic ligand act as the preferential binding sites and interact strongly with carbon disulfide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantitative Evaluation of CO 2 Storage Potential in the Offshore Atlantic Lower Cretaceous Strata, Southeastern United States

The geological storage of CO 2 in the Earth’s subsurface has the potential to significantly offset greenhouse gas emissions for safe, economical, and acceptable public use. Due to legal advantages and vast resource capacity, offshore CO 2 storage provides an attractive alternative to onshore options. Although offshore Lower Cretaceous reservoirs have a vast expected storage capacity, there is a limited quantitative assessment of the offshore storage resource in the southeastern United States. This work is part of the Southeast Offshore Storage Resource Assessment (SOSRA) project, which presents a high-quality potential geological repository for CO 2 in the Mid- and South Atlantic Planning Areas. This is the first comprehensive investigation and quantitative assessment of CO 2 storage potential for the Lower Cretaceous section of the outer continental shelf that includes the Southeast Georgia Embayment and most of the Blake Plateau. An interpretation of 200,000 km of legacy industrial 2D seismic reflection profiles and geophysical well logs (i.e., TRANSCO 1005-1-1, COST GE-1, and EXXON 564-1) were utilized to create structure and thickness maps for the potential reservoirs and seals. We identified and assessed three target reservoirs isolated by seals based on their effective porosity values. The CO 2 storage capacity of these reservoirs was theoretically calculated using the DOE-NETL equation for saline formations. The prospective storage resources are estimated between 450 and 4700 Mt of CO 2 , with an offshore geological efficiency factor of dolomite between 2% and 3.6% at the formation scale.

03 NATURAL GAS↗

Cell-free Scaled Production and Adjuvant Addition to a Recombinant Major Outer Membrane Protein from Chlamydia muridarum for Vaccine Development

Subunit vaccines offer advantages over more traditional inactivated or attenuated whole-cell-derived vaccines in safety, stability, and standard manufacturing. To achieve an effective protein-based subunit vaccine, the protein antigen often needs to adopt a native-like conformation. This is particularly important for pathogensurface antigens that are membrane-bound proteins. Cell-free methods have been successfully used to produce correctly folded functional membrane protein through the co-translation of nanolipoprotein particles (NLPs), commonly known as nanodiscs. This strategy can be used to produce subunit vaccines consisting of membrane proteins in a lipid-bound environment. However, cell-free protein production is often limited to small scale (<1 mL). The amount of protein produced in small-scale production runs is usually sufficient for biochemical and biophysical studies. However, the cell-free process needs to be scaled up, optimized, and carefully tested to obtain enough protein for vaccine studies in animal models. Other processes involved in vaccine production, such as purification, adjuvant addition, and lyophilization, need to be optimized in parallel. This paper reports the development of a scaled-up protocol to express, purify, and formulate a membrane-bound protein subunit vaccine

59 BASIC BIOLOGICAL SCIENCES↗

Constraints on the Dense Matter Equation of State and Neutron Star Properties from NICER’s Mass–Radius Estimate of PSR J0740+6620 and Multimessenger Observations

In recent years our understanding of the dense matter equation of state (EOS) of neutron stars has significantly improved by analyzing multimessenger data from radio/X-ray pulsars, gravitational wave events, and from nuclear physics constraints. Here we study the additional impact on the EOS from the jointly estimated mass and radius of PSR J0740+6620, presented in Riley et al. by analyzing a combined data set from X-ray telescopes NICER and XMM-Newton. We employ two different high-density EOS parameterizations: a piecewise-polytropic (PP) model and a model based on the speed of sound in a neutron star (CS). Here, at nuclear densities these are connected to microscopic calculations of neutron matter based on chiral effective field theory (EFT) interactions. In addition to the new NICER data for this heavy neutron star, we separately study constraints from the radio timing mass measurement of PSR J0740+6620, the gravitational wave events of binary neutron stars GW190425 and GW170817, and for the latter the associated kilonova AT2017gfo. By combining all these, and the NICER mass-radius estimate of PSR J0030+0451, we find the radius of a 1.4 M ⊙ neutron star to be constrained to the 95% credible ranges 12.33$^{+0.76}_{–0.81}$km (PP model) and 12.18$^{+0.56}_{–0.79}$km (CS model). In addition, we explore different chiral EFT calculations and show that the new NICER results provide tight constraints for the pressure of neutron star matter at around twice saturation density, which shows the power of these observations to constrain dense matter interactions at intermediate densities.

79 ASTRONOMY AND ASTROPHYSICS↗

Development of mathematical models of environmental physiology

Selected articles concerned with mathematical or simulation models of human thermoregulation are presented. The articles presented include: (1) development and use of simulation models in medicine, (2) model of cardio-vascular adjustments during exercise, (3) effective temperature scale based on simple model of human physiological regulatory response, (4) behavioral approach to thermoregulatory set point during exercise, and (5) importance of skin temperature in sweat regulation.

Stolwijk, J. A. J.↗

Development study of compositions for advanced wrought nickel-base superalloys

Using NASA IIb as a base composition, the effects of five key elements (carbon, tungsten, tantalum, aluminum, and hafnium) on resultant properties were investigated in an effort to optimize the composition and derive new wrought high temperature alloys with improved strength characteristics. A total of nineteen compositions were melted, extruded, and rolled to bar stock using thermomechanical processing. Both full and partial solution heat treatments were developed for the compositions. Tensile properties from room temperature to 1800 deg F, stress and creep rupture properties to 1800 deg F, and thermal stability characteristics were evaluated. NASA IIb-7 exhibited the best response to the partial solution heat treatment for optimum properties up to 1200 deg F. The alloy contained 0.13C, 9.0 Cr, 9.0 Co, 2.0 Mo, 7.5 W, 10.0 Ta, 3.5 Al, 0.75 Ti, 0.02 B, 0.10 Zr, 0.50 V, 1.0 Hf, and balance nickel.

Kent, W. B.↗

Lunar surface temperatures from Apollo 12.

The diurnal variation of temperatures in the lunar surface layer is calculated using the measured properties of the Apollo 12 samples. The results are compared with similar calculations made using data from the Apollo 11 samples and with previous infrared temperature measurements. Comparisons are also made with prior calculations which used assumed properties. These are based on an effective value of the thermal parameter (gamma) of 1034 which is obtained from integrated average values of the specific heat and thermal conductivity of the Apollo 12 fines.

Cremers, C. J.↗

Short-time oxidation of zirconium.

Study of zirconium oxidation kinetics for maximum exposure times of 3 min and in the temperature range 440 to 850 C. 'Discontinuous' oxidation runs were employed whereby a specimen was inserted into the gas stream for a predetermined time, removed and weighed, and reinserted into the oxidation atmosphere. It is considered that the increase in the observed activation energy for the early stage parabolic oxidation is a manifestation of a change from an n-type oxide to a predominantly p-type oxide, in agreement with the authors' earlier conclusion (1971) based on pressure effects.

Srivastava, L. P.↗