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At least 775 records · Page 43

Initially Disordered, Reflectin Assembly Tunably and Reversibly Drives Biophotonic Color

Reflectin proteins are found in the reflective Bragg lamellae in skin cells of certain squids, where they tunably control color for camouflage and communication. Initially disordered in the monomeric form, the reflectins have unusual amino acid compositions and are block copolymers consisting of polyampholytic canonical repeats interspersed with cationic linkers. In vivo, phosphorylation of the cationic linkers induces condensation, secondary folding and hierarchical assembly of the reflectins with concomitant emergence of tunable iridescence. We analyzed the folding and assembly of recombinant phospho‐mimetic and deletion mutants of reflectin, using pH titration as a surrogate for in vivo phosphorylation. Results of dynamic light scattering, transmission electron microscopy, fluorescence, circular dichroism and x‐ray scattering reveal that neutralization of the cationic linkers progressively and reversibly drives the reflectins to form monodisperse spherical assemblies of reproducible size. These analyses reveal a strongly predictive relationship between net charge density and size of the assembled reflectin multimers, with the switch appearing to be equally distributed across the spatially segregated linkers. Accompanying the progressive neutralization of Coulombic repulsion of the linkers, assembly appears to be driven by entropically driven folding of the canonical repeats into amphiphilic secondary structures that are likely to enable hierarchical assembly. These results suggest a model for tunable reflectin assembly and provide insight into the behavior of this unique, initially disordered protein. Support or Funding Information This research was supported by the U.S. Department of Energy, U.S. Army Research Office, and Institute of Collaborative Biotechnologies. This abstract is from the Experimental Biology 2018 Meeting. There is no full text article associated with this abstract published in The FASEB Journal .

Levenson, Robert↗

Validation of Numerical Models of the Offshore Wind Turbine From the Alpha Ventus Wind Farm Against Full-Scale Measurements Within OC5 Phase III

The main objective of the Offshore Code Comparison Collaboration Continuation, with Correlation (OC5) project is validation of aero-hydro-servo-elastic simulation tools for offshore wind turbines (OWTs) through comparison of simulated results to the response data of physical systems. Phase III of the OC5 project validates OWT models against the measurements recorded on a Senvion 5M wind turbine supported by the OWEC Quattropod from the alpha ventus offshore wind farm. The following operating conditions of the wind turbine were chosen for the validation: (1) Idling below the cut-in wind speed; (2) Rotor-nacelle assembly (RNA) rotation maneuver below the cut-in wind speed; (3) Power production below and above the rated wind speed; and (4) Shutdown. A number of validation load cases were defined based on these operating conditions. The following measurements were used for validation: (1) Strains and accelerations recorded on the support structure; (2) Pitch, yaw, and azimuth angles, generator speed, and electrical power recorded from the RNA. Strains were not directly available from the majority of the OWT simulation tools. Therefore, strains were calculated based on out-of-plane bending moments, axial forces, and cross-sectional properties of the structural members. Also, a number of issues arose during the validation: (1) The need for a thorough quality check of sensor measurements; (2) The sensitivity of the turbine loads to the controller and airfoil properties, which were only approximated in the modeling approach; (3) The importance of estimating and applying an appropriate damping value for the structure; and (4) The importance of wind characteristics beyond turbulence on the loads. The simulation results and measurements were compared in terms of time series, discrete Fourier transforms, power spectral densities, probability density functions of strains and accelerometers. A good match was achieved between the measurements and models set up by OC5 Phase III participants.

17 WIND ENERGY↗

In-Sodium Testing of a Prototype Thermoacoustic Power Sensor for Sodium-Cooled Fast Reactors

The ultimate goal of this project is to develop and demonstrate a thermoacoustic power sensor (TAPS) for Sodium-Cooled Fast Reactors (SFRs), with potential application also envisioned to other nuclear technologies such as Lead-Cooled Fast Reactors (LFRs), Molten Salt Reactors (MSRs), in addition to Light Water Reactors (LWRs). The project was led by Westinghouse Electric Company, LLC (Westinghouse) and carried out in collaboration with Argonne National Laboratory (ANL) and the University of Pittsburgh. A TAPS is a passive (self-powered), non-invasive (wireless) sensor envisioned for measuring key parameters, such as local temperature and neutron flux, in a nuclear reactor core. The sensor generates pressure waves (i.e., sound waves) with a frequency and amplitude dependent upon nuclear operating conditions (coolant temperature or power changes). The acoustic waves are able to travel through the core and associated structures, and reach to the sensor network placed outside and/or inside of the reactor vessel. These sensors require a very small amount of power which, during loss of power events, can be provided, for example, by harvesting gamma radiation energy, thus resulting in a monitoring system that can function both during normal operation and during loss of power events. Westinghouse and the University of Pittsburgh designed and fabricated TAPS prototypes for Argonne National Laboratory (ANL) to carry out in-sodium testing to evaluate the effects of sodium on the TAPS and the performance of the TAPS technique in sodium. Argonne received a TAPS prototype from Westinghouse, and the prototype was modified such that it can be installed into a test vessel and function in sodium at elevated temperature without potentially leaking. A water mockup test apparatus was constructed to validate proper working of the prototype. An instrumentation and control (I&C) system, running on the National Instruments (NI) LabView platform, was developed to: 1) operate both the water mockup test and the in-sodium test facility; and 2) process and analyze the received acoustic signals from an array of accelerometers and the Argonne sodium-submersible high-temperature acoustic sensor. The prototype was successfully tested in a water bath at different temperatures. Water mockup tests demonstrated that the TAPS prototype is working properly and its resonance frequency changes linearly with the coolant (water) temperature. A TAPS test apparatus was constructed and integrated with the upgraded Under-Sodium Viewing (USV) sodium test facility. The integrated USV-TAPS sodium test facility has been operational. The TAPS prototype and a high-temperature sodium-submersible acoustic sensor (SSAS) developed by Argonne were both installed inside the TAPS test vessel. Being operated within argon cover gas under ambient conditions, the TAPS prototype demonstrated that it was functioning properly with a resonance frequency at 1407.2 Hz, which was successfully detected by the accelerometers mounted on the external wall of the vessel and the high-temperature SSAS installed inside the vessel. After successfully transferring sodium into the vessel, in-sodium tests of the prototype were conducted. Tests of the TAPS prototype demonstrated that the resonance frequency of the TAPS changes linearly with respect to the temperature difference between the interior of the TAPS and bulk sodium. The early tests showed that the TAPS prototype could not establish a continuous and consistent resonance in sodium. The resonance diminished before the prototype reached its operating temperature. A signal postprocessor was added to the DAQ module latterly to isolate interferences, enhance signal conditioning, improve peak detection, and generate resonance frequency versus temperature plots. After testing in molten sodium and immersion at higher temperature for several weeks, the TAPS prototype was able to establish a continuous resonance. Performance evaluation of the TAPS prototype was then conducted in sodium. The tests included the investigation of 1) the effects of the temperature difference between the TAPS and bulk sodium, 2) the effects of sodium flowrate; and 3) the performance of the different sensor-receiver systems positioned inside or outside the vessel. Results of a test demonstrated that, with limited sodium circulation, a continuous and consistent resonance of the TAPS prototype was established occasionally. The tests also demonstrated that, because of the nature of detection principles and mounting methods, the high temperature SSAS is more affected by acoustic noise, while accelerometers are more affected by vibrations, in the test environment. It is unknown why the TAPS prototype only occasionally established a continuous and consistent resonance when the TAPS temperature reached its operating temperature in molten sodium, and why it ultimately failed to resonate at all. A failure modes assessment was conducted and a few potential causes of failure were identified. Different post in-sodium tests were conducted to obtain additional information potentially relevant to the cause of the failure. Nondestructive evaluation techniques are suggested to examine the internal integrity as well as the gas mixture of the prototype. If they prove inconclusive, the prototype should be cut open to conduct a thorough inspection of its internal integrity and determine the state of the gas mixture.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Structure and Dynamics of Domains in Ferroelectric Nanostructures – Phase-Field Modeling (Final Technical Report)

Domain pattern formation is one of the most common phenomena in nature and is a topic of immense interest in many fields ranging from materials science and physics to chemistry and biology. This DOE sponsored research project explored the basic science concerning the thermodynamic stability of mesoscale polarization domain patterns and their temporal evolution mechanisms during formation and subsequent switching in ferroelectric nanostructures and heterostructures. The project employed the computational phase-field method in combination of microelasticity and electrostatic theories. The research was carried out in close collaboration with a number of experimental groups who used High Resolution Transmission Electron Microscopy (HRTEM), in situ TEM with Scanning Probe Microscopy (SPM), or Piezoresponse Force Microscopy (PFM) to characterize the domain structures and dynamics of ferroelectric thin films and heterostructures and who grow high-quality ferroelectric and multiferroic thin films using advanced growth techniques such as Molecular Beam Epitaxy (MBE), Pulsed Laser Deposition (PLLD), and sputtering. The research efforts of the project help establish the phase-field method as the most powerful method for understanding and predicting domain structures in ferroelectric thin films and nanostructures. The findings of the project led to the basic understanding of stability and switching mechanisms of ferroelectric domains under different mechanical boundary conditions and under either homogeneous capacitor configurations or local fields using metallic probes as electrodes and the emergence of charged domain walls during domain switching. The project predicted the spatial length scales, temperature ranges, and electromechanical conditions for different polar states in heterostructures and guided the discovery of both transient and stable novel polarization states containing vortex lattices in oxide superlattices. The project resulted in 134 journal publications and 6 PhD theses with all the PhD graduates currently working in either academia or industry within the United States. The basic understanding on the stability of mesoscale polar states and pattern evolution achieved by the project improved our ability to control and engineer properties of ferroelectric thin films and heterostructures for potential applications in nanoscale electronic devices.

36 MATERIALS SCIENCE↗

Assessing the response of methane hydrates to environmental change at the Svalbard continental margin

This project reflects the results of cooperative research efforts between the US Department of Energy and scientists from Norway and Germany, who collaboratively designed the study, collected and analyzed samples from the water column and sediment and arrive at conclusions presented in joint publications. The main goal of the project was to assess the role of gas hydrate deposits in modulating methane discharge revealed through water column data, and assess the changes in environmental parameters, geochemical and microbiological conditions that drive the methane release in this high latitude region. Samples and data were collected from seven expeditions that encompassed extensive water column surveys, gravity coring, remotely-operated towed instrumentation and seafloor drilling campaigns. Geochemical and microbiological results were interpreted in the context of correlative geophysical data and numerical models, to generate a comprehensive and interdisciplinary view of the processes operating along the Svalbard margin. Incubation experiments complement the filed observations and provide additional data on the microbiological response to methane change. Collectively our results show that methane seepage in this margin is a component of a large methane plume, the Svalbard plume, which is not associated with gas hydrate processes. Consistently, numerical models of data from shallow (gravity cores offshore Storfjordrenna, bearing gas hydrate) and deep (MeBo drilling offshore Prins Karls Foreland) sediment samples show that methane and gas hydrate dynamics at sites that lie within the upper edge of gas hydrate stability are not responding to modern changes in bottom water temperature. Rather the data point to a long history of methane release, dominantly controlled by large scale Earth system changes (e.g., geology, oceanography, and glaciology) with gas hydrate as a temporary methane reservoir. Further results document the episodicity of the methane release, the role of microbes in sequestering methane carbon into authigenic carbonate, reaction networks involved in carbon recycling pathways at the sulfate-methane transition, and response of microbial communities to changes in methane flux allowing for a richer understanding of microbial ecology in response to change at methane seep sites.

58 GEOSCIENCES↗

Definition of the Stiesdal Offshore TetraSpar Floating Wind System for OC6 Phase IV

The Offshore Code Comparison Collaboration, Continued, with Correlation, and unCertainty (OC6) is an international project focused on verifying and validating modeling tools used in the analysis of floating offshore wind systems. The fourth phase of the project aims to assess the ability of the tools to model a novel floating wind design. The TetraSpar was designed by Stiesdal Offshore Technologies and was selected as the subject platform for the project. The platform is a unique design that features spar-like stability with a very low center of gravity, but does not require rare deep-water ports. This combination is achieved with a system made of two separate steel structures, a hull at the water's surface that supports the wind turbine tower, and a keel that is suspended below the main body. This lower keel has a very high density and drives the total platform's low center of gravity. The TetraSpar, with hull and keel, spar-type stability, and relatively slender components, is unique compared to platforms studied in earlier phases of OC3-OC6 projects, and it offers an opportunity to evaluate the applicability of modeling tools to a novel design, especially unique hydrodynamics and compliant cables. Scaled model tests of the TetraSpar design were performed in 2018-2019 by the University of Maine. The data collected in the model tests provides a detailed description of the response of the platform in various controlled and relatively well understood conditions. Comparison with this data provides a good opportunity for validation of numerical models. The OC6 Phase IV work focuses on the specific parameters used in these scaled model tests. Descriptions of the platform and the test campaign in this document are based on the report written by Allen and Fowler of the University of Maine in 2019.

17 WIND ENERGY↗

Examples of X-Ray Characterization Techniques in Energy Storage Research

Lithium-ion batteries have revolutionized the portable electronics and transportation sectors. Their performance is often critically dependent on the crystal structures of the anode and cathode electrode materials, which must enable the transport and reversible storage of lithium ions into and out of the lattice. Because lithium is a low-Z element, characterization of materials for lithium-ion batteries can be particularly challenging. Regardless, X-ray techniques enable analysis of material structures to better understand how battery materials perform and degrade, particularly when combined with other materials characterization and electrochemical characterization techniques. While X-ray techniques are most often used in battery research for phase identification of crystal structures, X-ray characterization techniques are also used for a wide variety of other purposes. I will discuss several examples from my research with various collaborators on several projects that highlight the impact that X-ray characterization techniques can have on battery research. The first example will focus on low-temperature microwave-assisted solvothermal synthesis of vanadium-doped LiFePO4 cathode materials for lithium-ion batteries. (1,2) Through a combination of electrochemical and materials characterization, we determined that low temperature synthesis resulted in metastable phases that enabled incorporation of higher dopant levels than resulting from high-temperature synthesis of thermodynamically stable phases. Rietveld refinement of X-ray diffraction data enabled understanding of how lattice parameters changed with doping levels and synthesis temperature. X-ray absorption near edge spectroscopy enabled understanding of the vanadium and iron oxidation states to confirm how vacancies in the structure caused by doping were charge compensated. This was important to understand because the literature suggests doping can improve LiFePO4 electrical conductivity, which improves battery charge and discharge rates. The second example will focus on understanding residual strain in lithium metal anodes. Lithium-ion batteries typically use graphite anodes, but the charge-storage capacity can be theoretically improved ~10x by using lithium metal as the anode material instead. However, lithium anodes suffer from growth of high-aspect-ratio features, such as dendrites, that can pierce nanoporous polymer separators and lead to short circuits and fires. External pressure is commonly applied to cells to enable better morphological control. We hypothesized that applied pressure may promote strain and possibly work hardening during electrochemical cycling, which motivated us to look for evidence of residual strain in lithium metal cycled under applied pressure using X-ray diffraction and sin2(..psi..) analysis. We found that lithium electrodeposited under high pressure exhibited in-plane compressive strain and that that lithium electrodeposited under low pressure did not. (3) The residual strain that accompanies electrodeposition under high pressure may lead to work hardening, which may explain how a soft metal like lithium can puncture separators and why higher pressure does not always decrease short circuits. (4-6) References: 1) Harrison, K. L.; Manthiram, A. Microwave-Assisted Solvothermal Synthesis and Characterization of Metastable LiFe1- x (VO) x PO4 Cathodes. Inorganic chemistry 2011, 50(8), 3613-3620. 2) Harrison, K. L.; Bridges, C. A.; Paranthaman, M. P.; Segre, C. U.; Katsoudas, J.; Maroni, V. A.; Idrobo, J. C.; Goodenough, J. B.; Manthiram, A. Temperature Dependence of Aliovalent-Vanadium Doping in LiFePO4 Cathodes. Chemistry of Materials 2013, 25(5), 768-781. 3) Rodriguez, M. A.; Harrison, K. L.; Goriparti, S.; Griego, J. J.; Boyce, B. L.; Perdue, B. R. Use of a Be-Dome Holder for Texture and Strain Characterization of Li Metal Thin Films via Sin2 (..psi..) Methodology. Powder Diffraction 2020, 35(2), 89-97. 4) Jungjohann, K. L.; Gannon, R. N.; Goriparti, S.; Randolph, S. J.; Merrill, L. C.; Johnson, D. C.; Zavadil, K. R.; Harris, S. J.; Harrison, K. L. Cryogenic Laser Ablation Reveals Short-Circuit Mechanism in Lithium Metal Batteries. ACS Energy Letters 2021, 6(6), 2138-2144. 5) Harrison, K. L.; Merrill, L. C.; Long, D. M.; Randolph, S. J.; Goriparti, S.; Christian, J.; Warren, B.; Roberts, S. A.; Harris, S. J.; Perry, D. L. Cryogenic Electron Microscopy Reveals That Applied Pressure Promotes Short Circuits in Li Batteries. Iscience 2021, 24(12). 6) Harrison, K. L.; Goriparti, S.; Merrill, L. C.; Long, D. M.; Warren, B.; Roberts, S. A.; Perdue, B. R.; Casias, Z.; Cuillier, P.; Boyce, B. L. Effects of Applied Interfacial Pressure on Li-Metal Cycling Performance and Morphology in 4 M LiFSI in DME. ACS Applied Materials & Interfaces 2021, 13(27), 31668-31679.

batteries↗

A Multi-Objective Bayesian Optimized Human Assessed Multi-Target Generated Spectral Recommender System for Rapid Pareto Discoveries of Material Properties

Optimization for different tasks like material characterization, synthesis, and functional properties for desired applications over multi-dimensional control parameter and function spaces need a rapid strategic search through active learning. However, in all cases prior to optimization, the target material properties are assumed known and fixed, which mostly deviates from real-world scenarios in material synthesis. This can be critical for running expensive experiments on new materials, when the experimental results are fuzzy for any scientific outcomes due to improper target setting, ultimately wasting time and cost. The failure rate and cost are even higher over exploring on multi-target space, where we want to learn the pareto among multiple properties, to jointly optimize during material synthesis for desired applications. To address the challenge, here we introduce the human-operator attempt flexibility in the active learning based automated experiment framework, with generating multiple human assessed targets through a voting-based recommender system during real-time microscope measurements over the large material image space, sequentially learn/update multiple desired targets through a weighting system, and adaptively search in multiple material properties functional space for non-dominated pareto discoveries to maximize the custom structural similarity based acquisition function. We term this a multi-objective Bayesian optimized human assessed multi-target generated spectral recommender systems (MOBO-HAM-SRS). The approach has been demonstrated to peizoresponse force spectroscopy of a ferroelectric thin film, exploring with different kernels and acquisition functions. This work shows an advancement towards human-AI collaborated automated experiments, steering optimization trajectories through human overpowering AI at the early stage when uncertainty is high and AI overpowering human at the later stage with rapid exploration towards optimal goal, following human-assessed multiple targets properties.

Biswas, Arpan↗

Case Study: NREL Campus Chilled Water Storage Potential: Benchmark Datasets Development and Applications, Task 4 - Use Case Demonstration

The Benchmark Datasets Development and Applications project is a three-year collaboration between the National Renewable Energy Laboratory (NREL), Oak Ridge National Laboratory, Pacific Northwest National Laboratory, and Lawrence Berkeley National Laboratory. The project seeks to collect and curate high-resolution, well-calibrated time series of building operational and indoor/outdoor environmental data, which are crucial to understanding and optimizing building energy efficiency performance and demand flexibility capabilities as well as benchmarking energy algorithms. Project outcomes include approximately twelve high-fidelity building datasets, enhanced data representation tools, and four case studies to illustrate example applications. The goal of these case studies is to define and execute analyses that demonstrate how one or more datasets collected through this project can address a data gap or challenge historically faced by building stakeholders. This technical paper summarizes the findings of one of these case studies, in which we studied the operational efficiencies of the central cooling system at NREL. We looked at three years of data from the three chillers in the Field Test Laboratory Building (FTLB), from 2019 to 2021, to compare equipment operation and demand throughout the time period. Our analysis indicates that all three chillers are operating at or below the optimal loading conditions for most of the operation time, and thus there was no efficiency drop due to loading of the chillers at full capacity. Our recommendation is that no chiller capacity increase is needed; instead, the central plant could benefit from adopting advanced control logics for optimal sequencing of chillers during part load operations. Analysis of adding chilled water thermal storage to the central plant indicated 34% savings in demand cost and 24.5% savings in total cost (energy consumption and demand charge cost). The payback period is estimated to be 11-22 years with an assumed TES cost of $\$$100-$200 per ton. This case study shows how a selected dataset is used to solve a practical building problem - learning the operational status of its components, analyzing the effectiveness of a proposed new technique, and aiding decision-making for the building operations and maintenance team.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Building Neutron Scattering Infrastructure in Louisiana for Advanced Materials (Final Report)

The main objective of the Louisiana Consortium for Neutron Scattering (LaCNS) is to build a major neutron scattering infrastructure capable of treating both soft and hard materials. The goal is to create a sustainable effort having the quality, breadth, and depth necessary to produce competitive proposals including collaborative and center type proposals. Our scientific aim is to understand the role of coupling in emergent complex materials and its impact on the structure/property relationship and to explore how to tune the key couplings to guide the design of materials with the desired properties. This naturally includes building a base of users of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) in Louisiana; to train highly talented graduate and post-doctoral students in synthesis, neutron scattering, and simulation and modeling techniques, thereby helping to produce the next generation of scientist who use neutron scattering techniques as a crucial part of their research. The goal of our hard matter program is to understand the interplay between spin, charge, orbital, and lattice degrees of freedom in carefully selected complex materials. We have made considerable progress on number of complex systems including the oxide Sr3(Ru1-xMnx)2O7 where short-range magnetic ordering with anisotropic spin texture is initiated at the metal-insulator transition that clearly indicates a strong spin-charge coupling. Another critical area is in quantum materials. For example, in the topological semimetal BaMnSb2, we found a 3D canted antiferromagnetic Weyl semimetal with a 2D electronic structure and a nontrivial Berry phase. In addition, in the hexagonal chiral Mn1/3NbS2 system, we found soliton/soliton and soliton/antisoliton domain walls where the application of small fields or small currents can be used to control nanoscopic magnetic domains where the control of domain walls is crucially important for information storage. In addition, chemical transformation investigations were performed on the VISION instrument at Spallation Neutron Source (SNS). The soft matter effort was focused on understanding the role of non-covalent interactions on the structure and dynamics of fluid-based soft matter. One key focus was on sequence-defined (SD) amphiphilic peptoid polymers that allow encoding of molecular interactions and thereby systematic investigations of how charge directs the solution self-assembly of amphiphilic polymers in water. Another important area was on the dynamics of lipids self-assembled into membranes for exploring the permeability and mechanical using both neutron spin echo (NSE) spectroscopy and quasielastic neutron scattering (QENS) to distinguished between viscoelasticity and permeability at the molecular scale. Overall, the LaCNS project was quite successful, generating 145 publications and 245 presentations. Our graduate and post-doctoral students were well trained resulting in positions in national laboratories (Oak Ridge National Laboratory (ORNL), Argonne National Laboratory and Los Alamos National Laboratory), major research universities, and industry. We also developed a uniaxial pressure cell along with ORNL for SNS. A critical goal of this project was to establish a foundation for competing nationally in federally funded research programs. To this end, we were quite successful in generating over twenty-two federally and non-federally funded grants including awards from NSF, DOE, and DOD, and two early career awards. Equally important, we were able to secure a key major piece of instrumentation via a large ARO grant for a state-of-the-art electron microscope.

36 MATERIALS SCIENCE↗

Infrared Imaging Camera Final Report CRADA No. TC02061.0

This was a collaborative effort between the University of California, Lawrence Livermore National Laboratory (LLNL) and Cordin Company (Cordin) to enhance the U.S. ability to develop a commercial infrared camera capable of capturing high-resolution images in a l 00 nanoseconds (ns) time frame. The Department of Energy (DOE), under an Initiative for Proliferation Prevention (IPP) project, funded the Russian Federation Nuclear Center All-Russian Scientific Institute of Experimental Physics (RFNC-VNIIEF) in Sarov. VNIIEF was funded to develop a prototype commercial infrared (IR) framing camera and to deliver a prototype IR camera to LLNL. LLNL and Cordin were partners with VNIIEF on this project. A prototype IR camera was delivered by VNIIEF to LLNL in December 2006. In June of 2007, LLNL and Cordin evaluated the camera and the test results revealed that the camera exceeded presently available commercial IR cameras. Cordin believes that the camera can be sold on the international market. The camera is currently being used as a scientific tool within Russian nuclear centers. This project was originally designated as a two year project. The project was not started on time due to changes in the IPP project funding conditions; the project funding was re-directed through the International Science and Technology Center (ISTC), which delayed the project start by over one year. The project was not completed on schedule due to changes within the Russian government export regulations. These changes were directed by Export Control regulations on the export of high technology items that can be used to develop military weapons. The IR camera was on the list that export controls required. The ISTC and Russian government, after negotiations, allowed the delivery of the camera to LLNL. There were no significant technical or business changes to the original project.

47 OTHER INSTRUMENTATION↗

Data Curation for Machine Learning Applied to Geothermal Power Plant Operational Data for GOOML: Geothermal Operational Optimization with Machine Learning: Preprint

Geothermal Operational Optimization with Machine Learning (GOOML) is a transferable and extensible component-based geothermal asset modeling framework that considers complex steamfield relationships and identifies optimization prospects using a data-driven approach to physics-guided, data-centric machine learning. This framework has been used to develop digital twins that provide steamfield operators with operational environments to analyze and understand historical and forecasted power production, explore new steamfield configuration possibilities, and seek optimal asset management in real world applications. To create, test, and apply the GOOML framework, diverse time-series datasets spanning multiple years were sourced from various geothermal power plant components within several complex real-world geothermal operations. These operations are based in the United States and New Zealand and include a variety of technologies, end-uses and configurations, collectively covering nearly all relevant operating conditions for modern geothermal fields. Datasets were acquired from multiple sources to ensure that machine learning experiments generalized properly to various operating conditions. It was found that the data varied in quality, format, and completeness. To ensure consistency between the various datasets, a standardized data curation process was developed to reliably streamline data preparation. This paper will discuss best practices as learned from the GOOML data curation process which takes the following steps: 1) acquisition of large quantities of data from power plant operators, 2) digestion of data to gain an initial understanding of what is included, 3) data transformation, which includes converting the data into a standardized machine-readable format so that they can be visualized, quality checked, and cleaned, 4) quality assurance and quality control, involving identification of significant data gaps and apparent anomalies through mapping of data features to real world componentry via the GOOML historical model, followed by discussion with modelers and power plant operators to identify additional data needs and to resolve issues, 5) use in machine learning algorithms, and 6) repetition of steps one through five until all data needs are met and data are deemed suitable for producing trustworthy modeling results which may be disseminated, ideally along with the curated dataset. This iterative process is focused on improving the quality of the data rather than tuning machine learning model parameters and supports a shift towards data-centric AI as a means to improving real-world applicability of geothermal machine learning projects.

access↗

Foam Fracturing Study for Stimulation Development of Enhanced Geothermal Systems

The large thermal gradients and high subsurface temperatures of the western region of the U.S. hold great potential for the implementation of enhanced geothermal systems (EGS). The development of these potential EGS resources requires stimulation of the reservoir to enhance permeability and it has been widely reported that a substantial amount of water will be required should conventional hydraulic stimulation be used. This presents a huge challenge and a high risk to the geothermal development because the water stress1 in these areas is already high or extremely high. The use of foam, a gas/liquid mixture predominantly composed of gas, in fracturing is considered and explored in this project as a potential approach to address water concerns with hydraulic stimulation in the development of EGS. This project, led by Oak Ridge National Laboratory (ORNL) in collaboration with Temple University, was awarded in an open lab call in 2018, and was part of the DOE GTO waterless stimulation initiative. The goal of the project was to demonstrate the feasibility of foam fracturing for EGS development through two primary tasks: Task 1: Laboratory study of the effectiveness of foam fracturing for representative geological materials, including cyclic pressurization using foam (led by ORNL) and Task 2: High temperature foam material selection and characterization (led by Temple University). In FY19, ORNL finished the critical review on serval issues associated with foam fracturing and the implementation of the proposed tasks in a lab study (Wang, et al., 2019), and completed the foam fracturing testing using cement as a model material (Wang, et al, 2020a). The work at ORNL was geared up to develop a brand-new foam testing system in FY20. The purchase of main components for the new system was finished in the first half of the FY20. The assembly of the foam testing system and foam fracturing testing were completed in the second half of the FY20 (Wang, et al., 2021a). Task 1 required the development of a test system which can be used to perform hydraulic fracturing of geological specimens with both water and foamed liquids at pressure up to 6,000 psi (41.4 MPa). The system possesses several capabilities that conventional injection systems lack for hydraulic fracturing. In addition to its ability to generate foam with controlled quality, it is capable of cycling pressure levels between specified values up to frequencies of 50 Hz. The latter capability was developed to evaluate the hypothesis that cyclic loading of samples would produce enhanced fracturing. The system consists of two sections: one for foam generation and another for foam injection. The foam is generated through separate control and pressurization of liquid and gas phases with controlled flow rates. The injection section is equipped with a low-flow Coriolis flow that monitors the density of foam to ensure the injection is in the range of target foam quality2. Experimental results of foam fracturing are reported for cylindrical granite specimens using water and aqueous N2 foam as the fracturing fluids. All experiments were performed for unconfined conditions. The effects of injection mode (i.e., monotonic vs cyclic pressurization) on breakdown pressure and failure response sample were investigated using water alone as a fracturing fluid and foams with a range of compositions. It was found that in the case of monotonic injection, the breakdown pressure of granite specimens tended to be slightly higher when fracturing with foam. Additionally, with a foam quality of 90%, the water use can be reduced by 50 to 84%, depending on hole size. On the other hand, it was observed that the breakdown pressure can be brought down to 70% of the monotonic breakdown pressure by using low cycle fatigue. Finally, discussions are presented regarding injectivity and water use reduction.

15 GEOTHERMAL ENERGY↗

Location Identifiers, Metadata, and Map for Field Measurements at the East-Taylor Watershed Community Observatory, Colorado, USA (Version 3.3)

This dataset contains identifiers, metadata, and a map of the locations where field measurements have been conducted at the East-Taylor Watershed Community Observatory located in the Upper Colorado River Basin, United States. This is version 3.3 of the dataset and replaces the prior version 3.2 (see below for details on changes between the versions). Dataset description: The East River-Taylor Watershed is the primary field site of the Watershed Function Scientific Focus Area (WFSFA) and the Rocky Mountain Biological Laboratory. Researchers from several institutions generate highly diverse hydrological, biogeochemical, climate, vegetation, geological, remote sensing, and model data at the East-Taylor Watershed in collaboration with the WFSFA. Thus, the purpose of this dataset is to maintain an inventory of the field locations and instrumentation to provide information on the field activities in the East-Taylor Watershed and coordinate data collected across different locations, researchers, and institutions. The dataset contains (1) a README file with information on the various files, (2) three csv files describing the metadata collected for each surface point location, plot and region registered with the WFSFA, (3) csv files with metadata and contact information for each surface point location registered with the WFSFA, (4) a csv file with with metadata and contact information for plots, (5) a csv file with metadata for geographic regions and sub-regions within the watershed, (6) a compiled xlsx file with all the data and metadata which can be opened in Microsoft Excel, (7) a kml map of the locations plotted in the watershed which can be opened in Google Earth, (8) a jpg image of the kml map which can be viewed in any photo viewer, and (9) a zipped file with the registration templates used by the SFA team to collect location metadata. The zipped template file contains two csv files with the blank templates (point and plot), two csv files with instructions for filling out the location templates, and one compiled xlsx file with the instructions and blank templates together. Additionally, the templates in the xlsx include drop down validation for any controlled metadata fields. Persistent location identifiers (Location_ID) are determined by the WFSFA data management team and are used to track data and samples across locations. Dataset uses: This location metadata is used to update the Watershed SFA’s publicly accessible Field Information Portal (an interactive field sampling metadata exploration tool; https://wfsfa-data.lbl.gov/watershed/), the kml map file included in this dataset, and other data management tools internal to the Watershed SFA team. Version Information: The latest version of this dataset publication is version 3.3. This version contains 167 new point locations, 1 new plot, and 2 new geographic regions. Overall, there are a total of 1439 point locations, 75 plots, and 54 geographic regions. Additionally, the kml map of locations and image now includes two boundaries (Upper Ohio Creek (UO) and Carbon Creek (CA)) outside of the East River watershed (USGS HUC-10) and accompanying stream network that represents areas of focus. Refer to methods for further details on the version history. This dataset will be updated on a periodic basis with new measurement location information. Researchers interested in having their East-Taylor Watershed measurement locations added to this list should reach out to the WFSFA data management team at wfsfa-data@googlegroups.com. Acknowledgments: Please cite this dataset if using any of the location metadata in other publications or derived products. If using the location metadata for the 2018 NEON hyperspectral campaign, additionally cite Chadwick et al. (2020). doi:10.15485/1618130. This work was supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. Part of this work was performed at SLAC Accelerator Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-76SF00515.

2018 NEON and 2025 CHESS Campaigns↗

A Joint Experimental/Computational Study of Non-Idealities in Practical Rotating Detonation Engines. Final Project Report, 10/2015 - 09/2020

The overall goal of this work is to understand non-ideal effects in practical rotating detonation engines (RDEs) that impede the realization of theoretical detonation cycle efficiencies. The main limitations in RDE operability and performance are associated with practical design considerations, where non-idealities, such as incomplete mixing, fuel leakage, secondary deflagration, instabilities and geometry-dependent effects, reduce the effectiveness of the detonation-based compression cycle. The goal of this work is to take a fundamental point of view, and use detailed experiments and simulations to understand non-ideal effects, their contribution to loss in pressure gain, and RDE operability limitations. Current research is mainly focused on design and overall operability of RDEs. Our approach is instead to look at the physics of basic processes occurring in RDEs. In particular, we consider processes associated with non-idealities and we use a combination of laser and non-laser diagnostics and large eddy simulation/direct numerical simulation computations to investigate these underlying phenomena. By advancing the fundamental science of detonation wave propagation in RDE flowfields, and subject to non-ideal conditions, will enable design to progress more rapidly. This work is a collaborative work involving experiments, simulations and external domain experts to understand the physics behind RDEs and non-idealities. Through collaboration between experimentalists and modelers, we have developed targeted experiments to investigate fundamental aspects of the operation of an RDE. Furthermore, we have developed advanced combustion models that account for non-ideal effects in the operation of an RDE and are able to capture the complexities of realistic RDE configurations. We conduct detailed physical and computational experiments to investigate the flame structure ahead and behind detonation fronts in the presence of non-uniform or incomplete mixing, leakage and secondary combustion. We use optical and laser diagnostics to identify the structure of the detonation wave. We consider different working parameters, such injection scheme, geometry, flow rates and equivalence ratios. We brought in DNS/LES capabilities to RDE design by specifically incorporating detailed kinetics and pressure-sensitive combustion physics, thus improving upon current practice based on an Euler equations description that do not take into account viscous effects, while the combustion process is introduced using an induction time based global ignition model. These current models lack the capability of capturing non-ideal mixing and fuel stratification effects — limitations that models and analysis developed in this work have been reduced. Furthermore, the significant changes in pressure within the domain due to the detonation requires combustion models with time-varying pressure effects. In this regard, using DNS with detailed chemistry, and developing LES-based combustion models for complex geometries with detonation wave has enable to understand some of the underlying phenomena controlling the operation of these devices. The main objectives developed by the project are the following ones: Objective 1. Develop canonical and operational RDE configurations, as well as imaging-based diagnostics for understanding fuel stratification, leakage, deflagration and detonation structure under non-ideal conditions in RDEs. Objective 2. Develop detailed computational tools for studying detonation wave propagation processes in RDEs. Objective 3. Develop a comprehensive picture of the fundamental physics governing non-idealities and how they impact RDE performance and operability from both experiments and simulations.

03 NATURAL GAS↗

From tides to seasons: How cyclic tidal drivers and plant physiology interact to affect carbon cycling at the terrestrial-estuarine boundary (Final technical report)

Coastal ecosystems are among the most biologically and biogeochemically active and diverse systems on Earth. Because they act as important linkages between terrestrial ecosystems and the open ocean, their incorporation in Earth system models (ESMs) is critical to predict coastal and global responses to environmental changes. However, they vary greatly in the magnitude of tides and the volume and timing of freshwater input from land, making it challenging to model the major biogeochemical reactions that control productivity and greenhouse gas emissions across coastal terrestrial aquatic interfaces (TAIs). Our overall objective was to improve mechanistic process understanding and modeling of tidal wetland hydro-biogeochemistry in coastal TAIs. We established a new flux tower site (Ameriflux US-PLo) in the oligohaline part of the Parker River to continuously monitor ecosystem-scale carbon fluxes under temporally varying salinity conditions. The site is co-located with long-term monitoring plots of the Plum Island Ecosystems LTER project. We installed wells and redox sensors in the marsh interior and creek bank, established biomass monitoring plots and deployed novel optode sensors in both locations. We used this data to parameterize plant-mediated transport in PFLOTRAN and tested the impact of soil heterogeneity on porewater constituents and gas fluxes. We collected observations of root oxygen release with a novel planar optode system in the field. Flux data collected during the measurement period encompasses a large variation in salinity ranging from drought to record precipitation years. We developed a method to extract functional relationships from the flux data using artificial neural networks, identifying salinity thresholds for CH 4 fluxes. Finally, we are using the coupled ELM-PFLOTRAN model to test the impact of antecedent hydrological conditions on the salinity-CH 4 flux relationship. This grant contributed to the professional development of one postdoc, three research assistants and one graduate student. The sensor data has been shared with external collaborators.

54 ENVIRONMENTAL SCIENCES↗

The lipidomics reporting checklist a framework for transparency of lipidomic experiments and repurposing resource data

The rapid increase in lipidomic studies has led to a collaborative effort within the community to establish standards and criteria for producing, documenting, and disseminating data. Creating a dynamic checklist that condenses key information about lipidomic experiments into common terminology will enhance the field's consistency, comparability, and repeatability. Here, we describe the structure and rationale of the established Lipidomics Minimal Reporting Checklist to increase transparency in lipidomics research.

59 BASIC BIOLOGICAL SCIENCES↗