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At least 433 records · Page 24

Reinforcement Learning‐Based Adaptation of Grid Following Inverter's Internal Controller to Networked Microgrids' Strengths

The varying topological configurations, generator commitments and dispatches, and dynamic load demand lead to changing system's strengths during the operations of networked microgrids. When the system's strengths significantly change, the fixed control gains at large devices may result in unsatisfactory system performance; this necessitates the tuning of the control gains at large devices to adapt to the changing system's strengths. In this paper, observer-based reinforcement learning (RL) is utilised to automatically tune the proportional-integral (PI) gains of phase lock loop (PLL) controller of grid-following (GFL) inverters to adapt to the changing strengths of microgrids and networked microgrids. The RL agent in this framework augments an observer predicting system's strengths, from which the RL control policy will adjust accordingly to tune the PLL controller's gains towards the system's strengths. Also, to enhance the control performance, the recently introduced Barrier function-based RL framework is leveraged for the design of reward function to prevent the high frequency nadir. An operational 26 kV electric distribution system, which is modelled as networked microgrids, is used to illustrate the need and effectiveness of the proposed RL-tuned control.

frequency response↗

Generative Design for Resilience of Interdependent Network Systems

Abstract Interconnected complex systems usually undergo disruptions due to internal uncertainties and external negative impacts such as those caused by harsh operating environments or regional natural disaster events. To maintain the operation of interconnected network systems under both internal and external challenges, design for resilience research has been conducted from both enhancing the reliability of the system through better designs and improving the failure recovery capabilities. As for enhancing the designs, challenges have arisen for designing a robust system due to the increasing scale of modern systems and the complicated underlying physical constraints. To tackle these challenges and design a resilient system efficiently, this study presents a generative design method that utilizes graph learning algorithms. The generative design framework contains a performance estimator and a candidate design generator. The generator can intelligently mine good properties from existing systems and output new designs that meet predefined performance criteria while the estimator can efficiently predict the performance of the generated design for a fast iterative learning process. Case studies results based on synthetic supply chain networks and power systems from the IEEE dataset have illustrated the applicability of the developed method for designing resilient interdependent network systems.

Engineering↗

Strain-concentration for fast, compact photonic modulation and non-volatile memory

A critical figure of merit (FoM) for electro-optic (EO) modulators is the transmission change per voltage, d T / d V . Conventional approaches in wave-guided modulators maximize d T / d V via a high EO coefficient or longer light-material interaction lengths but are ultimately limited by material losses and nonlinearities. Optical and RF resonances improve d T / d V at the cost of spectral non-uniformity, especially for high- Q optical cavity resonances. Here, we introduce an EO modulator based on piezo-strain-concentration of a photonic crystal cavity to address both trade-offs: (i) it eliminates the trade-off between d T / d V and waveguide loss—i.e., enhancement of the resonance tuning efficiency d v c / d V for the fixed EO coefficient, waveguide length, and cavity Q —and (ii) at high DC strains it exhibits a non-volatile (NV) cavity tuning Δ v c ,NV for passive memory and programming of multiple devices into resonance despite fabrication variations. The device is fabricated on a scalable silicon nitride-on-aluminum nitride platform. We measure d v c / d V =177±1MHz/V, corresponding to Δ v c =40±0.32GHz for a voltage spanning ±120V with an energy consumption of δ U /Δ v c =0.17nW/GHz. The modulation bandwidth is flat up to ω BW,3dB /2 π =3.2±0.07MHz for broadband DC-AC and 142±17MHz for resonant operation near a 2.8 GHz mechanical resonance. Optical extinction up to 25 dB is obtained via Fano-type interference. Strain-induced beam-buckling modes are programmable under a “read-write” protocol with a continuous, repeatable tuning range of 5±0.25GHz, allowing for storage and retrieval, which we quantify with mutual information of 2.4 bits and a maximum non-volatile excursion of 8 GHz. Using a full piezo-optical finite-element-model (FEM) we identify key design principles for optimizing strain-based modulators and chart a path towards achieving performance comparable to lithium niobate-based modulators and the study of high strain physics on-chip.

Wen, Y. Henry (ORCID:0009000685423628)↗

Improved Electrostatic Design of the Jefferson Lab 300 kV DC Photogun and the Minimization of Beam Deflection

An electron beam with high bunch charge and high repetition rate is required for electron cooling of the ion beam to achieve the high luminosity required for the proposed electron-ion colliders. An improved design of the 300 kV DC high voltage photogun at Jefferson Lab was incorporated toward overcoming the beam loss and space charge current limitation experienced in the original design. To reach the bunch charge goal of ~ few nC within 75 ps bunches, the existing DC high voltage photogun electrodes and anode-cathode gap were modified to increase the longitudinal electric field (Ez) at the photocathode. The anode-cathode gap was reduced to increase the Ez at the photocathode, and the anode aperture was spatially shifted with respect to the beamline longitudinal axis to minimize the beam deflection introduced by the geometric asymmetry of the inverted insulator photogun. The electrostatic design and beam dynamics simulations were performed to determine the required modification. Beam-based measurement from the modified gun confirmed the reduction of the beam deflection, which is presented in this contribution.

Mamun, M. A.↗

Heat and Mass Transfer in Hygroscopic Hydrogels

Hygroscopic hydrogels have emerged as a scalable material capable of high-performance vapor sorption for atmospheric water harvesting, dehumidification, and passive cooling due to their fast kinetics and high water uptake. Despite extensive research interest, there is a lack of understanding of the governing energy and mass transport mechanisms within the hydrogels, which hinders their optimization. Here we present a model that explains sorption and desorption in hygroscopic hydrogels for the first time. Our model couples vapor transport in the hydrogel micropores, liquid transport in the polymer nanopores, and heat transport in the porous hydro-gel to accurately capture experimentally observed sorption and desorption data. The knowledge obtained from this model can therefore guide the design of hygroscopic hydrogels and enable improved performance in multi-ple sorption-based applications.

36 MATERIALS SCIENCE↗

Technology Maturation Plan for Catalytic Membrane Reactors Based on Carbon Molecular Sieve Hollow Fiber Membranes for Sustainable and Modular H 2 Production

The overarching objective of the proposed project was to demonstrate a process-intensified approach to economically viable, modular H 2 production from waste biomass using catalytic membrane reactors (CMRs) based on carbon molecular sieve (CMS) hollow-fiber membranes. Specifically, the CMRs were developed to selectively remove H 2 during the high-temperature water-gas shift (WGS) reaction to circumvent thermodynamic limitations on converting CO to CO 2 and H 2 . To this end, our core technical activities were to (1) develop high-performance CMRs based on thermally stable, processible polymer-derived CMS membranes and (2) design and prepare new multicomponent CO 2 -tolerant nano-catalysts using a unique flame-based aerosol process for WGS reaction.

08 HYDROGEN↗

Comparative Study of Variations in Quantum Approximate Optimization Algorithms for the Traveling Salesman Problem

The traveling salesman problem (TSP) is one of the most often-used NP-hard problems in computer science to study the effectiveness of computing models and hardware platforms. In this regard, it is also heavily used as a vehicle to study the feasibility of the quantum computing paradigm for this class of problems. In this paper, we tackle the TSP using the quantum approximate optimization algorithm (QAOA) approach by formulating it as an optimization problem. By adopting an improved qubit encoding strategy and a layer-wise learning optimization protocol, we present numerical results obtained from the gate-based digital quantum simulator, specifically targeting TSP instances with 3, 4, and 5 cities. We focus on the evaluations of three distinctive QAOA mixer designs, considering their performances in terms of numerical accuracy and optimization cost. Notably, we find that a well-balanced QAOA mixer design exhibits more promising potential for gate-based simulators and realistic quantum devices in the long run, an observation further supported by our noise model simulations. Furthermore, we investigate the sensitivity of the simulations to the TSP graph. Overall, our simulation results show that the digital quantum simulation of problem-inspired ansatz is a successful candidate for finding optimal TSP solutions.

97 MATHEMATICS AND COMPUTING↗

Developing a Vorticity-Velocity-Based Off-Body Solver to Perform Multifidelity Simulations of Wind Farms

Wind power has become a key player in satisfying the global energy needs. With increased market penetration, unanticipated unsteady loading induced failures, installation related reductions in power generation, and significant maintenance costs have underscored the need to predict the unsteady fluid-structure interactions related to turbine layout and off-design wind conditions. Contemporary turbine design tools are incapable of accounting for such loadings. As a result, researchers have started utilizing high-Performance-Computing (HPC) based Computational Fluid Dynamics (CFD) solvers, such as the U.S. Department of Energy sponsored ExaWind software package, to investigate these phenomena. Unfortunately, such HPC tools are computationally expensive for routine industrial use, often because of the sheer number of cells required to resolve the wake flowfield. This paper describes a preliminary effort to address this issue by developing a vorticity-velocity based CFD off-body solver, VorTran-M2-AMReX, that integrates directly with DOE's ExaWind wind turbine analysis system to perform accurate and reliable simulations of wind turbine/farm at a lower computational cost than ExaWind alone. This article summarizes work undertaken to date concerning the assembly of the proposed analysis tool, and provides preliminary validation and verification of the VorTran-M2-AMReX off-body solver.

adaptive mesh refinement↗

Suspension electrolyte with modified Li + solvation environment for lithium metal batteries

Designing a stable solid–electrolyte interphase on a Li anode is imperative to developing reliable Li metal batteries. In this work, we report a suspension electrolyte design that modifies the Li + solvation environment in liquid electrolytes and creates inorganic-rich solid–electrolyte interphases on Li. Li 2 O nanoparticles suspended in liquid electrolytes were investigated as a proof of concept. Through theoretical and empirical analyses of Li 2 O suspension electrolytes, the roles played by Li 2 O in the liquid electrolyte and solid–electrolyte interphases of the Li anode are elucidated. Also, the suspension electrolyte design is applied in conventional and state-of-the-art high-performance electrolytes to demonstrate its applicability. Based on electrochemical analyses, improved Coulombic efficiency (up to ~99.7%), reduced Li nucleation overpotential, stabilized Li interphases and prolonged cycle life of anode-free cells (~70 cycles at 80% of initial capacity) were achieved with the suspension electrolytes. We expect this design principle and our findings to be expanded into developing electrolytes and solid–electrolyte interphases for Li metal batteries.

25 ENERGY STORAGE↗

Phosphoproteomics Modifications in Women with Rheumatoid Arthritis─Application of Web-Based Software to Enhance Data Visualization

Individuals with rheumatoid arthritis (RA) are at increased risk of functional disability, cardiovascular disease, and obesity, all of which are influenced by dysregulated skeletal muscle. Here, this pilot study aims to identify phosphoproteomics changes in RA skeletal muscle and visualize modifications through development of a web-based app designed to promote user-friendly data interpretation and visualization. NanoLC–MS/MS analysis was performed on vastus lateralis biopsies from three women with RA and matched healthy controls. Differential analysis was performed using the Limma R package. Kinase substrate enrichment analysis (KSEA) predicted changes in kinase activity. RA muscle displayed 35 upregulated and 60 downregulated phosphosites, including the cytoskeletal proteins TTN (Ser33201, Ser33013, Ser20925), NEB (Ser2219, Thr254, Ser33013, Ser20925), FLNA (Ser1459), and LASP1 (Ser146). Compared to healthy controls, KSEA predicted decreased activity of several kinases in RA muscle, including PRKACA and CDKs. All such changes were visualized by use of our web-based app. Overall, phosphoproteome analysis reveals signaling alterations in RA skeletal muscle linked to cytoskeletal proteins, representing candidate disease biomarkers; these modifications can be explored through use of our web-based software.

phosphoproteomics↗

Advanced thermal/environmental barrier coatings of high-entropy rare earth disilicates tuned by strong anharmonicity of Eu 2 Si 2 O 7

Advancing thermal/environmental barrier coating (TEBC) materials with integrated thermal-mechanical functions is paramount for safeguarding SiC-based ceramic matrix composites (CMCs) in high-efficiency gas turbines. Herein, we employ a synergistic approach, combining density functional theory (DFT) methods and combinatorial chemistry techniques, to design high-performance and low-cost RE 2 Si 2 O 7 (RE = rare earth elements) TEBC materials tailored for enhanced compatibility with SiC-based CMCs. Expanding on phase stability of alloying pure RE 2 Si 2 O 7 , the investigation extends to the mechanical and thermal properties of solid solution systems, including Er 1/2 Y 3/4 Yb 3/4 Si 2 O 7 , Gd 1/4 Er 1/4 Y 3/4 Yb 3/4 Si 2 O 7 , and Eu 1/4 Er 1/4 Y 3/4 Yb 3/4 Si 2 O 7 . The solid solution systems exhibit a major reduction in lattice thermal conductivity relative to their pure counterparts, achieving ultralow values of 0.25 to 0.39 W m −1 K −1 at 1500 K. Furthermore, the coefficients of thermal expansion (CTE) of these solid solutions are precisely tuned within the desired range for SiC (4.4 to 5.5 × 10 −6 K −1 ), while maintaining good mechanical properties. Here, in particular, the addition of Eu 2 Si 2 O 7 demonstrates to be an important variable to the tuning of CTE and lattice thermal conductivity by leveraging its strong anharmonicity, presenting a pioneering avenue for fine-tuning material properties. In summary, this research not only identifies promising TEBC materials with superior thermal properties, but also introduces a valuable computational material design methodology for the rapid discovery of complex materials for harsh environments.

36 MATERIALS SCIENCE↗

Effect of surface segregation on the oxidation resistance of Cu 3 Pt ( 100 )

Alloying element segregation often occurs under a reactive environment but its interplay with the subsequent surface oxidation of the alloy remains unclear. Using synchrotron-based ambient-pressure x-ray photoelectron spectroscopy, we dynamically monitor the surface segregation in Cu 3 Pt(100) in response to temperature and oxygen gas. Vacuum annealing leads to surface segregation of Cu along with the enrichment of Pt in the subsurface region. Upon switching to the O 2 atmosphere, dissociative chemisorption of oxygen does not change the surface segregation profile from that under the vacuum annealing condition. A stepwise increase in the oxygen pressure results in the transformation pathway of Cu → Cu 2 O → CuO, in which the selective oxidation of Cu gives rise to further accumulation of Pt underneath the oxide/alloy interface that hinders the supply of Cu from the bulk to the oxide/alloy interface, thereby leading to the termination of the surface oxidation after the Cu 2 O → CuO conversion is completed. This differs from the transformation pathway of Cu → Cu 2 O → Cu 2 O/CuO for the oxidation of pure Cu and Cu-Au alloys, in which the oxidation of Cu continues and the Cu 2 O/CuO bilayer growth is constantly maintained. Furthermore, these key differences provide useful insight into alloy design for controlling the surface properties such as corrosion resistance and catalytic performance of Cu base alloys.

36 MATERIALS SCIENCE↗

Report on Year-4 of Water NSTF Matrix Testing: Facility Maintenance and Accident Testing

Under support from the Department of Energy (DOE) and the Office of Advanced Reactor Technologies (ART), a large-scale test facility has been constructed at Argonne National Laboratory to generate NQA-1 qualified validation data for passive decay heat removal systems in advanced reactors. The Natural convection Shutdown heat removal Test Facility (NSTF) reflects key features of a ½ scale, water-based, Reactor Cavity Cooling System (RCCS) and is intended to study the behavior, bound performance, and ultimately guide design decisions for passive decay heat removal systems for advanced reactors. In addition to the experimental activities detailed in this report, a supportive computational modeling effort is on-going which has been demonstrated to significantly strengthen the experimental program while also improving accuracy of the computer models. Together these create a mutually beneficial relationship integral to meeting the overall program objective of examining the heat removal performance of the RCCS concept. This report serves as a summary of maintenance and experimental activities during the program’s fourth year of water-based operation. A planned six-month maintenance period began in August 2021, during which major inspections, repairs, cleaning, and installation of new instrumentation and data acquisition hardware were conducted. Most significantly, two heaters that faulted during Year-3 were repaired, allowing the facility to resume use of the full heated section area and full range of available electric power. The remainder of the year consisted of eight months of test operations, during which the facility logged 211 hours of active heating across one bake-out (following the maintenance period) and seven matrix tests; five classifieds as Accepted per NQA-1, one as Trending, and one as Failed. Testing began by performing two repeat cases to confirm expected facility response and behavior during both single- and two-phase flow conditions, ensuring no changes were introduced during the maintenance period that might have altered the thermal-hydraulic characteristics of the facility. In continuation of the power parametric series initiated in previous years, a high-power test case was then performed examining heat removal performance at a decay heat load equivalent to 2.4 MWt, full-scale, a level exceeding maximum design targets. Additional testing then introduced various blockage scenarios along the network piping, examining the effects of partial and complete blockages of the flow paths on the system behavior and heat removal performance. A study of static boiling tests directed at understanding the geysering two-phase instability was also conducted. The loop was filled only to the bottom of the tank outlet, creating an open loop configuration that prevents any natural circulation flow from occurring, and the heaters were powered on until the facility reached saturation conditions. Following, a series of quasi-steady-state conditions were introduced by adjusting the inventory level in the adiabatic chimney piping at decreasingly lower elevations above the heated region. A strong correlation of geysering characteristics and loop level was observed, with flow and temperature excursions decreasing in intensity, but increasing in frequency, as the fill were reduced to lower elevations along the chimney piping. Once the level fell very low in the chimney, at points near the top of the heated section, the system reached a stable state of continuous boiling without any occurrence of geysering eruptions. A final significant testing accomplishment this year was successful completion of an “accident scenario” test, whose operating conditions were based on a prototypic decay heat curve provided by Framatome and scaled for the NSTF. This test began by establishing steady-state, single-phase “normal operation” conditions, before simulating an accident trip where the availability of active cooling systems was lost. Loop temperatures gradually increased until reaching saturation and subsequent two-phase boiling flow. Over the course of an extended operational period along the defined decay heat curve, steam boil-off caused gradual but continued depletion of liquid inventory until reaching a critically low level causing flow stagnation and cessation of natural circulation heat removal. At this point, after nearly 72 hours of continuous operation, a cold refill was performed to replenish the system inventory and allow the facility to re-establish closed loop natural circulation flow and return to a safe operational state.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Electrical design of the flexible imaging diffraction diagnostic for laser experiments (FIDDLE) at the National Ignition Facility (NIF)—Requirements, design, and performance

The Flexible Imaging Diffraction Diagnostic for Laser Experiments (FIDDLE) is a newly developed diagnostic for imaging time resolved diffraction in experiments at the National Ignition Facility (NIF). It builds on the successes of its predecessor, the Gated Diffraction Development Diagnostic (G3D). The FIDDLE was designed to support eight Daedalus version 2 sensors (six more hCMOS sensors than any other hCMOS-based diagnostic in NIF to date) and an integrated streak camera. We will review the electrical requirements, design, and performance of the electrical subsystems that were created to support this large number of cameras in the FIDDLE. The analysis of the data that the FIDDLE is intended to collect relies heavily on the accurate and well-understood timing of each sensor. We report camera-to-camera timing jitter of less than 100 ps rms and sensor integration times of 2.2 ns FWHM in 2-2 timing mode. Additionally, diffraction experiments on the NIF produce electric fields (EMI) on the order of 1 kV/m, which have been observed to negatively impact the performance of some electrical components of the FIDDLE. We report on the results of testing hCMOS camera electronics in a similar EMI environment generated in an offline lab. In addition, we also summarize the use of a novel approach to using a vector network analyzer as an EMI leak detector to understand and reduce the negative impacts of EMI on the FIDDLE.

47 OTHER INSTRUMENTATION↗

Model uncertainty in accelerator application simulations

Monte-Carlo nuclear reaction and transport codes are widely used to devise accelerator-based nuclear physics experiments; at the same time, many experiments are performed to validate the Monte-Carlo codes, which can be used for the design of full-scale nuclear power applications or the design of new benchmark experiments. Dedicated model benchmark studies investigate a broad range of nuclear reactions and quantities. Examples of these include isotope formation or secondary particle fluxes that result from the interactions of GeV-range hadrons with monoisotopic targets, which can be used to assess the respective systematic uncertainty of models. Such benchmark studies, as well as many nuclear application experiments and simulations carried out by various groups over the last few decades, enable us to draw methodological lessons. In this work, model uncertainty determined based on available experimental data allow us to identify the effects of practitioner expertise as well as the design of codes (user access to micro-scale parameters) on the range of uncertainties. We found that in cases when simulations are performed by code developers or users that are very experienced in performing simulations, the model to experiment quantity ratios generally agree with the limits determined by dedicated benchmark studies. In other cases, the ratios generally tend to be either smaller (underestimation of model error) or larger (overestimation of model error). A plausible explanation of the aforementioned effects is suggested.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Loop Thermosyphon Enhanced Solar Collector

A two-phase loop thermosyphon solar collector was developed to transfer thermal energy efficiently and passively from a concentrated solar collector to a thermal desalination process. The two-phase flow in the loop thermosyphon is driven by a difference in gravitational pressure head between the liquid return line and the two-phase riser located between the evaporator and condenser. A numerical model incorporating mass, energy, and pressure drop balances was developed to predict system performance and use as a design tool. Three iterations of loop thermosyphon solar collectors were designed, fabricated, and tested to validate the numerical analysis and demonstrate system integration. Additionally, a novel solar receiver design was evaluated based on volumetric absorption of the concentrated sunlight by an optically absorptive two-phase working fluid. Life tests were performed to evaluate the working fluid thermal stability and resistance to ultraviolet degradation. A glass receiver tube and associated glass-to-metal junctions were developed. Finally, a full-scale loop thermosyphon was integrated with a parabolic trough solar collector and tested on-sun.

14 SOLAR ENERGY↗

GeoThermalCloud: Cloud Fusion of Big Data and Multi-Physics Models using Machine Learning for Discovery, Exploration, and Development of Hidden Geothermal Resources

The primary goals of this project are exploring hidden geothermal resources in the U.S.A. and designing profitable enhanced geothermal systems (EGS). Many processes and parameters control geothermal exploration and energy production from geothermal fields. Diverse datasets (e.g., geology, geochemistry, geophysics, satellite, airborne geophysics) are available to help characterize subsurface geothermal conditions. Sparse and multi-scale characteristics of these datasets prohibit properly leveraging these datasets for geothermal exploration and profitable EGS design. Recent advancements in machine learning (ML) promise to resolve these issues. The tremendous challenges and risks of geothermal exploration and production bring the demand for novel ML methods and tools that can (1) analyze large field datasets, (2) assimilate model simulations (large inputs and outputs), (3) process sparse datasets, (4) perform transfer learning (between sites with different exploratory levels), (5) extract hidden geothermal signatures in the field and simulation data, (6) label geothermal resources and processes, (7) identify high-value data acquisition targets, and (8) guide geothermal exploration and production by selecting optimal exploration, production, and drilling strategies. To address these necessities, ML-based geothermal resources exploration and enhanced geothermal systems (EGS) design tools have been developed. The exploration tool is called GeoThermalCloud and EGS design tool is called GeoDT-ML. GeoThermalCloud (https://github.com/SmartTensors/GeoThermalCloud.jl) utilizes a LANL unsupervised ML platform called SmartTensors (https://tensors.lanl.gov/) to automate data analyses and interpretations by extracting hidden signatures to identify geothermal prospects. Also, it enables the identification of critical measurements needed to identify geothermal resource signatures. Alternatively, GeoDT-ML (https://github.com/SmartTensors/GeoThermalCloud.jl/tree/master/EGS) is an ML-based alternative to GeoDT (https://github.com/GeoDesignTool/GeoDT.git), a fast, simplified multi-physics solver to evaluate EGS project designs in uncertain geologic systems. GeoDT-ML leverages recent advances in deep learning and high-performance computing. It is a faster and simpler version of GeoDT. To make this project a success, we used capabilities of LANL, PNNL, Google, Stanford, and Julia Computing. We analyzed eight datasets of the U.S.A. using GeothermalCloud and demonstrated potential highly prospective geothermal resources and identified key factors defining highly prospective sites. The first data set includes 44 locations in southwest New Mexico and 18 geological, hydrogeological, geophysical, geothermal, geochemical attributes. We defined low- and medium-temperature hydrothermal systems and discovered a new highly prospective site. The second data set analyzed 18 shallow water chemistry attributes at 14,342 locations in the Great Basin. It demarcated modestly, moderately, and highly prospective sites including key attributes for each type of prospectivity. The third data set analyzed Utah FORGE data including satellite (InSAR), geophysical (gravity, seismic), geochemical, and geothermal attributes. Here, we performed prospectivity analysis to identify future drilling locations using geological, geochemical, and geophysical attributes. Maps of temperature at depth and heat flow are constructed based on the available data. Prospectivity maps were generated, and drilling locations were proposed for future geothermal field exploration. The fourth data set analyzed 21 attributes at 120 locations in Tularosa Basin, New Mexico; data comes from past play fairway analyses in this region. ML analyses identified geothermal signatures associated with modestly, moderately, and highly hydrothermal systems. We also defined dominant attributes and spatial distribution of the geothermal signatures. The fifth, sixth, seventh, and eighth datasets include Tohatchi Springs, New Mexico, Hawaii, Brady site, Nevada, and EGS Collab, respectively. Moreover, we coupled GeothermalCloud and magnetotellurics data to pinpoint drilling locations for developing geothermal projects in the Tularosa Basin, New Mexico. GeothermalCloud found potential prospective locations for geothermal resources near White Sands Missile Range and McGregor Range at Fort Bliss. Magnetotellurics data determined the potential depth (~1800m) of geothermal prospects at McGregor Range based on apparent resistivity structures/layers in the subsurface. The McGregor Range consists of three resistivity layers and two resistivity structures. Magnetotellurics data also helps identify that the western portion of the McGregor Range has thick and low-resistivity earth materials. The low resistivity to the west is most likely for a fault system. Assuming temperature is consistent with a geothermal reservoir, the west-central part of the McGregor Range has the highest geothermal potential because of the increase in porosity and associated permeability attributed to the interpreted fault system. Also, we devised a coupling strategy between a process model and GeothermalCloud to characterize hydrogeological conditions and geothermal conditions, respectively. The process model characterizes hydrogeological and geothermal conditions on highly prospective geothermal sites provided by GeothermalCloud. We developed a physics-informed neural network (PINN) version of the Burns equation that can be easily coupled with GeothermalCloud. Furthermore, we performed an optimal design decision maximizing the economic value of an EGS power plant. This study optimized the range of well spacing between injection and production wells maximizing net present value in dollars (NPV). For this task, we used the GeoDT to simulate the Utah FORGE EGS development cycle from the initial well design to the end of production. Next, we accomplished another crucial task, which is predicting permeability of geothermal reservoirs. Predicting permeability of geothermal reservoirs is a non-trivial task because of huge computational runtime of simulation and lack of measurements. To avoid these limitations, we used easy-to-measure chemical concentrations in the subsurface as measurement data and convolutional neural network based ML model of a high-fidelity model. Next, we predicted permeability using Markov chain Monte Carlo simulation. We found that Markov chain Monte Carlo simulation predicts permeability with a high certainty if the prediction zone in the simulation area has chemical concentration data. Finally, we analyzed the DOE funded INGENIOUS and GeoDAWN projects data. For discovering hidden geothermal systems in the Great Basin, the INGENIOUS project accumulated old data, collected new data, and released them in 2022. The dataset includes a total of 24 geological, geophysical, and geochemical attributes. Data resolution and scale significantly vary prohibiting an appropriate usage. To avoid such limitations, we brought all data in the same resolution and scale by applying the inverse distance weighting interpolation technique for predicting data in unsampled locations. Subsequently, we analyzed LiDAR data of the GeoDAWN project. We received data in tiles format. The DOE’s overarching goal is to use ML on LiDAR data for finding favorable geological structures (e.g., step up faults in Brady, Nevada). To serve the purpose, we need to label favorable geologic structures that correspond to LiDAR data. We wrote an algorithm to label the LiDAR data with the favorable geologic structures.

15 GEOTHERMAL ENERGY↗

Accelerated Design of Cost-Effective Thermal/Environmental Barrier Coatings based on High-Entropy Rare Earth Disilicates: A First-Principles Study

This project aims to design cost-effective thermal/environmental barrier coatings (TEBC) based on high entropy rare earth disilicates to protect SiC-based ceramic matrix composites from chemical and thermal attack for better performance of components in the hot section of gas turbine engines. To accelerate the alloy design, we utilize first-principles density functional theory (DFT) together with combinatorial chemistry methodology to predict key properties including phase stability, apparent bulk coefficient of thermal expansion (ABCTE), intrinsic lattice thermal conductivity, and temperature-dependent elastic constants. Specifically, this project focuses on β-RE2Si2O7 (RE=Yb, Y, Er, Lu, La, Ce,) with β-Yb2Si2O7 and β-Y2Si2O7 as the benchmark. Our DFT calculations predict that Er1/4Lu1/4Y3/4Yb3/4Si2O7 and Er1/2Lu1/2Y1/2Yb1/2Si2O7 have ultralow lattice thermal conductivity < 0.23 W/m/K at 1500 K and a good match of average ABCTE (5.1 - 5.2×10-6 K-1) with SiC. Owing to the low cost and abundant supply of Ce and La, the A- and G-La2Si2O7/Ce2Si2O7 disilicates are also studied. Our study shows that G-phase Ce2Si2O7 has an ultralow thermal conductivity (0.26 W/m/K at 1500 K) and the apparent bulk ABCTE (≈6.9×10-6 K-1) slightly higher than SiC, demonstrating great potential as low-cost high-performance T/EBC. However, La2Si2O7 and Ce2Si2O7 undergo an A-phase to G-phase polymorphic transition at around 1470 K.

environmental barrier coatings↗