Development of the tamped RMI method: Application to Au, Pt, and Mo dynamic yield strength measurements
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Voorhees, Travis John↗
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High-Performance AEM LTE with Advanced Membranes, Ionomers and PGM-Free Electrodes
Alkaline low temperature electrolysis (LTE) systems enjoy several potential advantages over acid-based LTE systems including facile oxygen evolution reaction (OER) kinetics and electrodes that can use little to no platinum group metals (PGM). The polymer membranes and membrane electrode assembly (MEA) structures going into alkaline electrochemical systems have seen significant advances in recent years. The objective of this project is to combine state-of-the-art alkaline polymer electrolyzer components into one optimized membrane electrode assembly (MEA) system to achieve DOE low temperature electrolysis (LTE) goals. The benefit of individual component advances cannot be fully appreciated until all aspects and components of the MEA are working at an equally high level of performance. New electrode fabrication methods were developed where solvent cast catalyst/ionomer solutions were used in place of insoluble ionomers to significantly improve adhesion. The membranes were improved in terms of durability and mechanical properties. The OER and HER catalysts were improved and made more durable.
08 HYDROGEN↗
Chemical and Optical Control of Spin Crossover: Ultrafast XUV Spectroscopy of Molecular Magnets in Native Solvation Environments
With support from the US Department of Energy Office of Science, we have developed and utilized extreme ultraviolet (XUV) spectroscopy and sum frequency generation vibrational spectroscopy as probes of charge, spin, and solvation structure and dynamics in molecules and at interfaces. This work is crucial to advancing fundamental understanding of the processes that control the efficiency and speed of energy conversion and information processing in molecules and at interfaces. Accordingly, it has important applications for developing next generation technologies for information storage and processing with increasing data storage density and processing rates as well as developing new methods for efficient energy conversion and storage.
74 ATOMIC AND MOLECULAR PHYSICS↗
Demonstration of a Novel Technology to Manage Electricity Demand in Grid-Independent Military Microgrids
This research was conducted by the National Renewable Energy Laboratory (NREL) in collaboration with the S&C Electric Inc. through funding provided by the ESTCP. The project demonstrates use of cybersecure Automated Demand Response (ADR) technology to effectively manage microgrid loads during grid-independent, also known as "islanded," operation. When military microgrids become isolated from the main electrical grid, they are required to balance electricity supply and demand locally. Given that local generation may be constrained, the prevailing strategy involves shedding all but the most critical loads by tripping smart circuit breakers, which then necessitate manual resetting. This approach is generally implemented at the building level, which means that the buildings with mission-critical activities are exempt from load management and remain fully powered, whereas those deemed non-critical can experience a complete loss of service. In this research we developed a method that allows building automation systems to selectively control their assets in response to load shedding request from a microgrid controller, avoiding total loss of service in contrast to the conventional control approach. A commercial OpenADR client server by GridFabric is used for communication between the microgrid controller and the building management system (BMS). The microgrid controller monitors both generation capacity and various assets within the microgrid and issues a demand reduction request when necessary. This request is communicated to the OpenADR server via Modbus. Upon receiving the request, the OpenADR server forwards it to the BMS utilizing the OpenADR protocol. The BMS is pre-configured with various levels of load reduction strategies based on the controllable assets available, allowing for a nuanced approach to demand reduction. Both lab and field tests were performed that considered load shedding needed to achieve closed transition into island mode and to accommodate changing loads and power source availability while islanded. A commercial microgrid controller was used for these tests with normal programming within the expected constraints of the system capabilities. That is, the solution did not require any specialized modification to the code base of the controller. Given the latency of the round-trip communication path between the microgrid controller and the various devices involved with the load shed processes, there are certain scenarios for which the demonstrated solution are appropriate and some which are not. The methods described in this report can be used for load shedding/restoration during transitions between islanded and grid-tied modes of operation, as well as accommodating normal variations in load and the need to remove a power source from operation for maintenance. These methods should not be used for scenarios that require load shedding within a second or two such as sudden and unanticipated significant load increases or loss of power sources through equipment faults.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Modification of Fractured Rock Permeability Field Using Polymer Foam to Improve Geothermal System Efficiency
The project aims at developing novel methods for blocking high-permeability pathways in geothermal reservoirs to improve heat exchange efficiency. While the project was at DRI, and now when it has been transferred to UNR, the goal of blocking high-permeability pathways is achieved through targeted injection of heat-sensitive polymer foams, particularly foamed epoxy resins, whose activation and curing are triggered by the ambient thermal field.
15 GEOTHERMAL ENERGY↗
Assessing and Enabling Trustworthy Predictions for High-Consequence Decisions
Predictions from physics-based computational models provide critical information to inform high consequence decisions, e.g., engineering design decisions. The ability to assess the reliability of such predictions is therefore critical. However, to date, reliability assessment rely heavily on expert judgment and qualitative arguments. This report details the efforts of LDRD 233072 to develop quantitative methods to assess reliability of model predictions, especially in the context of simplifying assumptions that can impact their reliability.
42 ENGINEERING↗
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↗
Fully Recyclable CFRP Particles (CRADA 519)
The proposed resin-enhanced materials, which utilize fully recycled CFRP (carbon-fiber-reinforced polymer) particles, are enabled by PARC's proprietary Chemically Linked Particles Networks (13 granted patents and patent applications). PNNL and PARC have collaborated to develop manufacturing methods, such as vacuum-assisted wet compression molding and filament winding, for fabricating fiber-reinforced composites with the PARC matrix. PNNL has conducted various mechanical, physical, and thermal characterizations to compare their differences between the composites with baseline and PARC matrices. Those characterizations include density, void volume fraction, optical micrography, uniaxial tension, four-point bending/flexure, interlaminar shear, coefficient of thermal expansion, glass transition temperature, and curing kinetics.
36 MATERIALS SCIENCE↗
Integrative computational investigation of the spectroscopy, dynamics, and controlling of molecular excitons in complex environments (Final Technical Report)
The major goal of this research project was to advance theoretical and computational capability to describe the dynamics and the spectroscopy of molecular excitons as reliably and efficiently as possible. Outcomes of the project contributed to new understanding of the interaction between light and molecular materials and ensuing dynamics of excited electronic states. These can assist experimentalists in developing novel methods to utilize quantum properties of molecules and molecular excitons for new energy harvesting and quantum information processing.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Volumetric Additive Manufacturing of Gradient Composition Glass
Advanced optics, such as lasers or cameras, are currently limited by geometric or compositional restrictions on the silica glass components that act as focusing or refracting lenses. Currently, these glass components must be made of one homogenous material in a range of shapes and sizes limited by a few specialized vendors. However, additional flexibility and customization of these optical components could significantly improve the performance of these devices and expand the design space available to optics engineers, as would the capability to locally change the optical properties of these glass components by changing the composition of the glass as a function of location. To this end, we have developed a method to print and process gradient composition glass, using volumetric additive manufacturing (VAM) and direct ink writing (DIW), on-site at Lawrence Livermore National Lab.
36 MATERIALS SCIENCE↗
Towards Robust Calibration of the AWSD Reactive Burn Model
Calibration of a reactive burn model for detonation of high explosive is an important step towards predictive hy drodynamic simulations of detonation. A typical calibration consists of varying model parameters (e.g., rate constants, activation energies) until results of hydrodynamic simulations match the experimental data for a certain set of ex periments. Hydrodynamic simulations of the dependence of steady detonation velocity on the radius of a cylindrical high-explosive charge - often used in such calibrations - can be computationally expensive. In this work, we propose a method where such expensive simulations are performed infrequently, and only to parameterize and refine a surrogate model for the dependence of the detonation velocity on calibrated parameters. The method is developed, implemented and applied to an example problem - calibration of the AWSD reactive burn model for important high explosive PBX 9502. Two different flavors of the surrogate model are investigated, and the calibration is performed successfully.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Chemical Recycling of Plastic Waste to Higher Value Lubricants
The aim of this project was to develop scalable methods to convert plastic waste to petrochemical-equivalent feedstocks and demonstrate their utility in lubricant base oil and wax applications. These objectives were partially accomplished, by scaling up the synthesis of platinum-on-strontium titanate catalysts to twenty gram batches, scaling up the conversion of plastic waste to twenty-five grams of plastic, producing high-melt waxes and characterizing their properties, and demonstrating the purification of high-melt waxes. High-melt waxes are one petrochemical-equivalent feedstock that can be made from plastic waste, consisting of a hard wax with a melt point above 65 C. They are used as ingredients in hot melt adhesives, coatings, and cosmetics. Producing a petrochemical-equivalent feedstock from plastic waste provides an advantage in lower carbon footprint and manufacturing cost, as the waste feedstock costs less than crude oil.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Simulating Meson Scattering on Spin Quantum Simulators
Studying high-energy collisions of composite particles, such as hadrons and nuclei, is an outstanding goal for quantum simulators. However, preparation of hadronic wave packets has posed a significant challenge, due to the complexity of hadrons and the precise structure of wave packets. This has limited demonstrations of hadron scattering on quantum simulators to date. Observations of confinement and composite excitations in quantum spin systems have opened up the possibility to explore scattering dynamics in spin models. In this article, we develop two methods to create entangled spin states corresponding to wave packets of composite particles in analog quantum simulators of Ising spin Hamiltonians. One wave-packet preparation method uses the blockade effect enabled by beyond-nearest-neighbor Ising spin interactions. The other method utilizes a quantum-bus-mediated exchange, such as the native spin-phonon coupling in trapped-ion arrays. With a focus on trapped-ion simulators, we numerically benchmark both methods and show that high-fidelity wave packets can be achieved in near-term experiments. We numerically study scattering of wave packets for experimentally realizable parameters in the Ising model and find inelastic-scattering regimes, corresponding to particle production in the scattering event, with prominent and distinct experimental signals. Our proposal, therefore, demonstrates the potential of observing inelastic scattering in near-term quantum simulators.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Understanding Aitken Mode Aerosol Variability over the Southern Ocean and Antarctica: Insights from Cloud Condensation Nuclei Data
Aitken mode aerosol particles play an important role influencing cloud properties and sustenance, acting as a reservoir of potential cloud condensation nuclei against precipitation scavenging. However, there is limited data on Aitken mode aerosols. In this study, we develop a method to estimate Aitken mode aerosol concentrations and size distribution using cloud condensation nuclei measurements (CCN) and κ-Köhler theory. The performance of this method is evaluated using scanning mobility particle sizer (SMPS) data from recent field campaigns to demonstrate its skills and applicability. The method reasonably estimates Aitken- and accumulation-mode aerosol concentrations, achieving correlations of 0.7–0.9 with only modest biases (mean fractional bias within ±23% for Aitken mode and ±34% for accumulation-mode). This method is further applied to measurements collected over the Southern Ocean and Antarctica in recent years from multiple platforms, including ground sites, aircraft, and ships, to derive Aitken and accumulation-mode aerosol concentrations. Using the derived data, we examine the seasonal cycle, latitudinal variations, and vertical distribution of aerosols. Aitken mode aerosol concentrations are elevated over the Southern Ocean and Antarctica during the austral summer similar to the accumulation mode. In the austral summer, the free troposphere has more Aitken mode aerosols and fewer accumulation mode aerosols than the boundary layer, and thus likely serves as an important source of cloud-forming aerosol while also diluting the accumulation mode.
Kang, Litai [University of Washington] (ORCID:0000↗
Protein carbamylation and proteomics: from artifacts to elucidation of biological functions
Lysine carbamylation is a non-enzymatic protein post-translational modification (PTM) that plays important roles in regulating enzymatic activity and the pathogenesis of diseases such as atherosclerosis, rheumatoid arthritis, and uremia. The progress of understanding the roles of carbamylation in biological systems has been delayed due to lack of systematic assays to study its functions. To aggravate this scenario, carbamylation is a major artifact in proteomics analysis given that urea, which is used during sample preparation, induces carbamylation. In addition, anti-acetyllysine antibodies co-purify carbamylated and acetylated peptides. In a recent paper, we leveraged co-purification with anti-acetyllysine antibodies to develop a method for analyzing carbamylated proteomes. In this perspective article, we discuss how this method may be applied to characterize the physiological functions of carbamylation in humans and other biological models, as well as the utility of establishing novel disease biomarkers.
59 BASIC BIOLOGICAL SCIENCES↗
Recycling of Lithium-Ion Batteries via Electrochemical Recovery: A Mini-Review
With the rising demand for lithium-ion batteries (LIBs), it is crucial to develop recycling methods that minimize environmental impacts and ensure resource sustainability. The focus of this short review is on the electrochemical techniques used in LIB recycling, particularly electrochemical leaching and electrodeposition. Our summary covers the latest research, highlighting the principles, progress, and challenges tied to these methods. By examining the current state of electrochemical recovery, this review intends to provide guidance for future advancements and enhance LIB recycling efficiency.
25 ENERGY STORAGE↗
Development of a New Aggregation Method to Remove Nanoplastics from the Ocean: Proof of Concept Using Mussel Exposure Tests
The overproduction and mismanagement of plastics has led to the accumulation of these materials in the environment, particularly in the marine ecosystem. Once in the environment, plastics break down and can acquire microscopic or even nanoscopic sizes. Given their sizes, microplastics (MPs) and nanoplastics (NPs) are hard to detect and remove from the aquatic environment, eventually interacting with marine organisms. This research mainly aimed to achieve the aggregation of micro- and nanoplastics (MNPs) to ease their removal from the marine environment. To this end, the size and stability of polystyrene (PS) MNPs were measured in synthetic seawater with the different components of the technology (ionic liquid and chitosan). The MPs were purchased in their plain form, while the NPs displayed amines on their surface (PS NP-NH2). The results showed that this technology promoted a significant aggregation of the PS NP-NH2, whereas, for the PS MPs, no conclusive results were found, indicating that the surface charge plays an essential role in the MNP aggregation process. Moreover, to investigate the toxicological potential of MNPs, a mussel species (M. galloprovincialis) was exposed to different concentrations of MPs and NPs, separately, with and without the technology. In this context, mussels were sampled after 7, 14, and 21 days of exposure, and the gills and digestive glands were collected for analysis of oxidative stress biomarkers and histological observations. In general, the results indicate that MNPs trigger the production of reactive oxygen species (ROS) in mussels and induce oxidative stress, making gills the most affected organ. Yet, when the technology was applied in moderate concentrations, NPs showed adverse effects in mussels. The histological analysis showed no evidence of MNPs in the gill’s tissues.
Cid-Samamed, Antonio (ORCID:0000000205073394)↗
Stochastic Averaging of Radiative Transfer Coefficients for Relativistic Electrons
Abstract Synchrotron emissivities, absorptivities, and Faraday rotation and conversion coefficients are needed in modeling a variety of astrophysical sources, including Event Horizon Telescope (EHT) sources. We develop a method for estimating transfer coefficients that exploits their linear dependence on the electron distribution function, decomposing the distribution function into a sum of parts each of whose emissivity can be calculated easily. We refer to this procedure as stochastic averaging and apply it in two contexts. First, we use it to estimate the emissivity of an isotropicκdistribution function with a high-energy cutoff. The resulting coefficients can be evaluated efficiently enough to be used directly in ray-tracing calculations, and we provide an example calculation. Second, we use stochastic averaging to assess the effect of subgrid turbulence on the volume-averaged emissivity and along the way provide a prescription for a turbulent emissivity. We find that for parameters appropriate to EHT sources turbulence reduces the emissivity slightly. In the infrared, turbulence can dramatically increase the emissivity.
Astronomy & Astrophysics↗