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At least 415 records · Page 23

Integrated protonic ceramic electrochemical cell for sustainable energy economy using water-energy nexus framework

Reliance on fossil fuels will continue for the next decades even though there are global pushes away from it to mitigate the overarching climate challenge, most especially by its highest consumers and availability. While there is a hastening global shift away from fossil fuel, integrating its assets into this technology helps limit the risk and future losses of stranded assets and reduce the cost of investment in the new technologies. Moreover, the generation of electricity from intermittent renewable sources like solar and wind has witnessed a significant surge in recent years, leading to a pressing demand for practical energy storage systems. Electrical energy storage is anticipated to play a pivotal role in the future global energy system, facilitating load-leveling operations to support the greater integration of renewable and distributed generation. Reversible electrochemical cells (RECs) offer a promising option for addressing the fossil fuel assets integration and energy storage challenges through the interconversion between electrical and chemical energy and concurrent utilizing carbon emission. In their electrolysis mode, the RECs convert electricity into durable, storable, and portable valuable chemical fuels such as syngas and methane. Conversely, the produced chemical fuels can be used as reactants in the fuel cell mode to generate electricity on demand with minimal (hydrocarbons) or zero when H2 or NH3 is used emissions. However, a challenging goal for this type of technology remains to achieve optimal operation and high roundtrip efficiencies, which has hindered the deployment of previous electrochemical cells. This dissertation demonstrates how reversible protonic ceramic electrochemical cells (RePCECs) can be integrated with fossil fuel power plants and renewable energy sources as a potential energy storage system. In this work, integrated RePCEC systems are designed and examined using computational modeling at scales to determine appropriate system configurations and operating conditions that achieve high roundtrip efficiencies. Cell level design of the PCEC is the first approach, several cells are assembled for the stack level model that is integrated into combined cycle powerplant and solar photovoltaic for the system level model. After critical literature review, this answered the operational and integration research questions proposed to address these challenges. The designed systems perform two functions, utilizing captured CO2 and storing renewable energy through co-electrolysis of steam and CO2. The co-electrolysis reaction involves endothermic water electrolysis and exothermic methanation reaction. To enhance high roundtrip efficiency, there is a need for thermal balance and management in the electrolysis mode. This involves operating the RePCEC stack under conditions that favor methane production to balance out heat needed by water electrolysis, it crucial for the RePCEC system operation. Methanation is enhanced by low temperatures. Leveraging on fabricated BCZYYb-electrolyte RePCEC, the cell model designed revealed that the optimum temperature for methane production is 450℃ at atmospheric pressure. Thus, to achieve optimum system performance, operating in the temperature range 450-525℃ is recommended at the given configuration, combining between the optimum temperature for methane production and temperature for the optimum stack roundtrip efficiency. Configuration with carbon capture system and purge stream is the optimum configuration from the seven conceptualized and evaluated. The modeling outcomes include a thermodynamic examination of integrated RePCEC systems, calibration of cell and stack level models, and steady-state simulation and integration into a 600MW combined cycle power plant retrofitted with two two-stage membrane-based carbon capture system and a wastewater treatment and recovery unit. At 100% powerplant loading, the stack and system roundtrip efficiencies are 72% and 51.37% respectively. Adding a purge stream for produced hydrogen at the system downstream improves the efficiencies to 74 and 55.48% respectively. At atmospheric pressure and 525℃, the system model suggests that a stack roundtrip of 82% is achievable, and overall system efficiency increases by reducing the energy consumption by the balance of plant components for steam generation and storage. Economic analysis of the process gives levelized cost of methane as $2.24/MMBtu lower than the conventional production route that range between $3.46/MMBtu and $9.85/MMBtu. The lifecycle analysis shows that the global warming potential for the production of methane and hydrogen from the RePCEC system is 3.83 kg CO2 eq which is lower than 9.35 kg CO2 eq emission during steam methane reforming for hydrogen production. This answered both the environmental and economic concerns in the raised research question. The proposed RePCEC configuration and analysis carried out in this dissertation to address the surge in renewable energy and challenges with PCEC technology hold significant potential in achieving large-scale energy storage while simultaneously reducing carbon emissions. These advancements, coupled with suitable governmental policies and incentive programs, have the potential to economically disrupt the natural gas industries by using RePCEC systems for methane production, thereby making them more favorable for eventual implementation and commercialization.

25 ENERGY STORAGE↗

Small Scale WEC Performance Modeling Data

Small Scale WEC Performance Modeling Data is performance data from downscaled models of common WEC devices and their calculated performance outputs. This data is used by the Small WEC interactive modeling tool hosted by PRIMRE. The devices include a point absorber, a two-body point absorber (RM3), an oscillating surge device (OSWEC), and an attenuator type device (McCabe Wave Pump). One of the primary use cases for this work is to give an easy way to compare power output for a variety of WECs and model sizes.

16 TIDAL AND WAVE POWER↗

RITE Gen5 KHPS Levelized Cost of Energy

Levelized Cost of Energy analysis for Verdant Power Gen5 KHPS utilizing annualized AEP based on actual energy generation at the RITE Project during 2020-21. The WEC devices analyzed include attenuator, point absorber, oscillating wave surge converter, oscillating water column, overtopping/terminator device, submerged pressure differential, bulge wave, and rotating mass type wave energy converter devices. The CEC devices analyzed include horizontal axis turbine, vertical axis turbine, oscillating hydrofoil, enclosed tips (Venturi), Archimedes screw, and tidal kite type current energy converter devices.

16 TIDAL AND WAVE POWER↗

Influence on Structural Loading of a Wave Energy Converter by Controlling Variable-Geometry Components and the Power Take-Off

Oceans are harsh environments and can impose significant loads on deployed structures. A wave energy converter (WEC) should be designed to maximize the energy absorbed while ensuring the operating wave condition does not exceed the failure limits of the device itself. Therefore, the loads endured by the support structure are a design constraint for the system. Furthermore, the WEC should be adaptable to different sea states. Herethis work uses a WEC-Sim model of a variable-geometry oscillating wave energy converter (VGOSWEC) mounted on a support structure simulated under different wave scenarios. A VGOSWEC resembles a paddle pitching about a fixed hinge perpendicular to the incoming wave fronts. The geometry of the VGOSWEC is varied by opening a series of controllable flaps on the pitching paddle when the structure experiences threshold loads. It is hypothesized that opening the flaps should result in load shedding at the base of the support structure by reducing the moments about the hinge axis. This work compares the hydrodynamic coefficients, natural periods, and response amplitude operators from completely closed to completely open configurations of the controllable flaps. This work shows that the completely open configuration can reduce the pitch and surge loads on the base of the support structure by as much as 80%. Increased loads at the structure’s natural period can be mitigated by an axial power take-off damping acting as an additional design parameter to control the loads at the WEC’s support structure.

16 TIDAL AND WAVE POWER↗

FOSWEC v2: System identification and control testing at Hinsdale Wave Research Laboratory

This report summarizes the design and execution of a wave tank test of the floating oscillating surge wave energy converter (FOSWEC) in the O.H. Hinsdale Wave Research Laboratory Directional Wave Basin at Oregon State University. This device, which uses two "flaps" that pivot about a central platform when excited by waves, has a natural frequency within the range of the waves by which it is excited. The FOSWEC was originally considered to be a 1:33 scale device, however, for the current tests, no fixed relative scale is used (i.e., the WEC is considered to be scaled for the basin’s wave environment in which it operates). The primary goal of this test was to assess the degree to which previously developed modeling, experimentation, and control design methods could be applied to a broad range of wave energy converter designs. Testing was conducted to identify a dynamic model for the impedance and excitation behavior of the device. Using these models, a series of closed loop tests were conducted using a causal impedance matching controller. This report provides a brief description of the results, as well as a summary of the device and experimental design. The results show that the methods applied to this experimental device perform well and should be broadly applicable. The data collected during testing is compressed into FOSWEC.zip. Please refer to Appendix C (pages 61-63) of the test report for descriptions of each test ID corresponding to the compressed files.

16 TIDAL AND WAVE POWER↗

Coupled wave-current modeling for hydrodynamic load analysis of macroalgae cultivation farms

Large-scale cultivation of macroalgae is one of the most promising biofuel sources that could reduce our consumption of fossil fuels and would be particularly economically competitive when grown for the co-production of additional goods such as food and textiles. Current production of biofuel from algal biomass is limited by labor costs and lack of data on potential impacts of cultivation and harvesting on marine and coastal environments as well as a comprehensive characterization of the impact of environmental conditions on macroalgal feedstock and their bioproduct and biofuel yield and quality. Awarded by the United States (U.S.) Department of Energy Advanced Research Projects Agency-Energy (ARPA-E) Macroalgae Research Inspiring Novel Energy Resources (MARINER) program, which seeks to enable the U.S. as a global leader in the production of marine biomass, the Marine Biological Laboratory (MBL) has been developing a test system for tropical seaweed cultivation in the Gulf of Mexico and the Caribbean. An integral step in designing macroalgae cultivation farms is to adequately characterize the hydrodynamic climate at potential growth sites. In regions like the Gulf of Mexico and the Caribbean, which are highly exposed to tropical cyclones, it is critical to not only consider the day-to-day hydrodynamic conditions but to also assess the risk of extreme sea states to ensure the survivability of future macroalgae farms. Under these considerations, the Pacific Northwest National Laboratory (PNNL) is providing modeling support for MBL to inform the design and siting of the farm systems that have been proposed for their ARPA-E MARINER project. This report describes the development of a high-resolution coupled storm surge and wave model to simulate the hydrodynamics and wave climate at proposed macroalgae cultivation sites selected by MBL in Florida and Puerto Rico. Model results, including model validation, water level, current distributions, and sea states, are discussed for both selected sites in Florida and Puerto Rico coast. These simulations provide an accurate insight into the hydrodynamic conditions that a macroalgae farm is likely to experience during its operational lifetime, including current information to support fine-scale hydrodynamic load modeling, risk analysis and system design.

09 BIOMASS FUELS↗

MuSIKAL: Multiphysics Simulations and Knowledge Discovery through AI/ML Technologies

Under the MuSiKAL project, we developed a framework for a coastal digital twin (DT) platform capable of integrating diverse data resources, configuring multiscale model simulations, performing SciML‐accelerated predictions, with applications primarily driven by storm surge and heavily rainfall events impacting the Gulf Coast of the U.S.

54 ENVIRONMENTAL SCIENCES↗

Aerodynamic Design of Axial-flow Compressors. Volume III

Chapters XI to XIII concern the unsteady compressor operation arising when compressor blade elements stall. The fields of compressor stall and surge are reviewed in Chapters XI and XII, respectively. The part-speed operating problem in high-pressure-ratio multistage axial-flow compressors is analyzed in Chapter XIII. Chapter XIV summarizes design methods and theories that extend beyond the simplified two-dimensional approach used previously in the report. Chapter XV extends this three-dimensional treatment by summarizing the literature on secondary flows and boundary layer effects. Charts for determining the effects of errors in design parameters and experimental measurements on compressor performance are given in Chapters XVI. Chapter XVII reviews existing literature on compressor and turbine matching techniques.

COMPRESSORS - PRESSURE RATIO↗

Flood Hazard Assessment from Storm Tides, Rain and Sea Level Rise for a Tidal River Estuary

Cities and towns along the tidal Hudson River are highly vulnerable to flooding through the combination of storm tides and high streamflows, compounded by sea level rise. Here a three-dimensional hydrodynamic model, validated by comparing peak water levels for 76 historical storms, is applied in a probabilistic flood hazard assessment. In simulations, the model merges streamflows and storm tides from tropical cyclones (TCs), offshore extratropical cyclones (ETCs) and inland "wet extratropical" cyclones (WETCs). The climatology of possible ETC and WETC storm events is represented by historical events (1931-2013), and simulations include gauged streamflows and inferred ungauged streamflows (based on watershed area) for the Hudson River and its tributaries. The TC climatology is created using a stochastic statistical model to represent a wider range of storms than is contained in the historical record. TC streamflow hydrographs are simulated for tributaries spaced along the Hudson, modeled as a function of TC attributes (storm track, sea surface temperature, maximum wind speed) using a statistical Bayesian approach. Results show WETCs are important to flood risk in the upper tidal river (e.g., Albany, New York), ETCs are important in the estuary (e.g., New York City) and lower tidal river, and TCs are important at all locations due to their potential for both high surge and extreme rainfall. The raising of floods by sea level rise is shown to be reduced by approximately 30-60 percent at Albany due to the dominance of streamflow for flood risk. This can be explained with simple channel flow dynamics, in which increased depth throughout the river reduces frictional resistance, thereby reducing the water level slope and the upriver water level.

Tidal river↗

Spacecraft Priming Analysis and Research Test Apparatus: Number 1 (SPARTAN 1), Test and Analysis Results

Spacecraft with Earth-storable propellants are required by range safety to launch with propellant isolated from the thrusters for ground operations, which is often accomplished by placing a pyrotechnic, or a latching isolation valve between the tank and the thrusters. Once on-orbit, downstream lines are vented out to space through the thrusters and are left evacuated and at vacuum pressure. Propellant isolation valve then opens and floods the lines with high velocity propellant which can lead to a significant pressure surge upon filling. Replicating this event during ground testing using water as a propellant simulant has always been difficult and costly to accurately perform due to the low vacuum pressure targeted on the downstream side of the system. This report describes the Spacecraft Priming Analysis and Research Test Apparatus (SPARTA) at Marshall Space Flight Center’s (MSFC) Component Development Area (CDA) and the initial test series meant to be a pathfinder for construction methods and test procedures to reduce the cost of future testing. The test data collected are critical to analytical models as the details to replicate prior ground tests are often lacking in enough detail to adequately model the test that was conducted. This report also describes the Thermal Desktop/FloCAD analysis that was performed alongside the test series. The test methods defined for this campaign showed a dramatic improvement on heritage test procedures. Test pace increased due to faster drying and pulling vacuum more effectively. Results generated in this test matched analytical predictions very well and provide a releasable set of test data to be leveraged on future NASA and commercial partner spacecraft development programs.

spacecraft↗

2.2.1.410 - Significant Cost Reduction Potential for Wave Energy Conversion Devices with Variable-Geometry Modules

The Technology Commercialization Fund (TCF) award is built upon NREL's previous research exploring a bottom-fixed variable-geometry oscillating surge wave energy converter (VGOSWEC); however, unlike previous investigations, the VGOSWEC will be raised off the sea floor. Researchers believe that advances in offshore pilings and foundations, such as 3D printing, will provide low cost and easily deployable structures. There are several benefits to designing a raised VGOSWEC such as 1) reducing issues with sediment transport and environmental impacts near shore, 2) less expensive deployment and installation as work boats will not risk grounding in shallow water, and 3) deeper water deployments improve the wave resource.

oscillating surge wave energy converter↗

Physics-informed Deep Reinforcement Learning-based Control in Power systems

Incorporating physics information into the deep reinforcement learning (DRL) process is a promising approach for addressing the challenges faced in learning-based control design problems for physical systems. Power grid dynamics, being a physical system, adheres to specific physical laws, constraints, as well as operational and control rules. Therefore, consideration of such physics-based law improves the learning process drastically. In general, traditional grid control schemes rely on rule-based mechanisms that cannot adapt to changing operating conditions. To improve the adaptability and computation time, recent research has seen a surge of DRL-based applications in power grid control. A generic DRL-based control design imposes the system performance requirements through the design of reward functions. In some cases, some of the important physics information is injected through this reward function. However, due to the complex dynamics and large state-action space, learning an optimal DRL policy often becomes challenging. Inspired by the latest developments in general machine learning (ML) research, power system researchers have been investigating more direct ways of incorporating physics knowledge into DRL training. This chapter specifically focuses on these aspects of physics-informed DRL designs in grid control. It discusses the significance, applications, research gaps, and open problems that need to be addressed in future research.

artificial intelligence, machine learning↗

Stoichiometry–Induced Ferromagnetism in Altermagnetic Candidate MnTe

The field of spintronics has seen a surge of interest in altermagnetism due to novel predictions and many possible applications. MnTe is a leading altermagnetic candidate that is of significant interest across spintronics due to its layered antiferromagnetic structure, high Neel temperature (T N ≈ 310 K) and semiconducting properties. The results on molecular beam epitaxy (MBE) grown MnTe/InP(111) films are presented. Here, it is found that the electronic and magnetic properties are driven by the natural stoichiometry of MnTe. Electronic transport and in situ angle-resolved photoemission spectroscopy show the films are natively metallic with the Fermi level in the valence band and the band structure is in good agreement with first-principles calculations for altermagnetic spin-splitting. Neutron diffraction confirms that the film is antiferromagnetic with planar anisotropy and polarized neutron reflectometry indicates weak ferromagnetism, which is linked to a slight Mn-richness that is intrinsic to the MBE-grown samples. Further, when combined with the anomalous Hall effect, this work shows that the electronic response is strongly affected by the ferromagnetic moment. Altogether, this highlights potential mechanisms for controlling altermagnetic ordering for diverse spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High‐Efficiency Ion‐Exchange Doping of Conducting Polymers

Abstract Molecular doping—the use of redox‐active small molecules as dopants for organic semiconductors—has seen a surge in research interest driven by emerging applications in sensing, bioelectronics, and thermoelectrics. However, molecular doping carries with it several intrinsic problems stemming directly from the redox‐active character of these materials. A recent breakthrough was a doping technique based on ion‐exchange, which separates the redox and charge compensation steps of the doping process. Here, the equilibrium and kinetics of ion exchange doping in a model system, poly(2,5‐bis(3‐alkylthiophen‐2‐yl)thieno(3,2‐b)thiophene) (PBTTT) doped with FeCl 3 and an ionic liquid, is studied, reaching conductivities in excess of 1000 S cm −1 and ion exchange efficiencies above 99%. Several factors that enable such high performance, including the choice of acetonitrile as the doping solvent, which largely eliminates electrolyte association effects and dramatically increases the doping strength of FeCl 3 , are demonstrated. In this high ion exchange efficiency regime, a simple connection between electrochemical doping and ion exchange is illustrated, and it is shown that the performance and stability of highly doped PBTTT is ultimately limited by intrinsically poor stability at high redox potential.

36 MATERIALS SCIENCE↗

Electro-Thermal Characterization of Dynamical VO 2 Memristors via Local Activity Modeling

We report translating the surging interest in neuromorphic electronic components, such as those based on nonlinearities near Mott transitions, into large-scale commercial deployment faces steep challenges in the current lack of means to identify and design key material parameters. These issues are exemplified by the difficulties in connecting measurable material properties to device behavior via circuit element models. Here, the principle of local activity is used to build a model of VO 2 /SiN Mott threshold switches by sequentially accounting for constraints from a minimal set of quasistatic and dynamic electrical and high-spatial-resolution thermal data obtained via in situ thermoreflectance mapping. By combining independent data sets for devices with varying dimensions, the model is distilled to measurable material properties, and device scaling laws are established. The model can accurately predict electrical and thermal conductivities and capacitances and locally active dynamics (especially persistent spiking self-oscillations). The systematic procedure by which this model is developed has been a missing link in predictively connecting neuromorphic device behavior with their underlying material properties, and should enable rapid screening of material candidates before employing expensive manufacturing processes and testing procedures.

36 MATERIALS SCIENCE↗

Chemical Tuning Meets 2D Molecular Magnets

Two-dimensional (2D) magnets provoke a surge of interest in large anisotropy in reduced dimensions and are promising for next-generation information technology where dynamic magnetic tuning is essential. Until recently, the crucial metal-organic magnet Cr(pyz) 2 ∙xLiCl∙yTHF with considerable high coercivity and high-temperature magnetic order opens up a new platform to control magnetism in metal-organic materials at room temperature. Here we report an in-situ chemical tuning route to realize the controllable transformation of low-temperature magnetic order into room-temperature hard magnetism in Cr(pyz) 2 ∙xLiCl∙yTHF. The chemical tuning via electrochemical lithiation and solvation/desolvation exhibits continuously variable magnetic features from cryogenic magnetism to the room-temperature optimum performance of coercivity (H c ) of 8500 Oe and energy product of 0.6 MGOe. Such chemically flexible tunability of room-temperature magnetism is ascribed to the different degrees of lithiation and solvation that modify the stoichiometry and Cr-pyrazine coordination framework. Furthermore, the additively manufactured hybrid magnets show air stability and electromagnetic induction, providing potential applications. Our findings here suggest chemical tuning as a universal approach to control the anisotropy and magnetism of 2D hybrid magnets at room temperature, promising for data storage, magnetic refrigeration, and spintronics.

36 MATERIALS SCIENCE↗

In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back

Computational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interlayer Interactions in 1D Van der Waals Moiré Superlattices.

Studying two-dimensional (2D) van der Waals (vdW) moiré superlattices and their interlayer interactions have received surging attention after recent discoveries of many new phases of matter that are highly tunable. Different atomistic registry between layers forming the inner and outer nanotubes can also form one-dimensional (1D) vdW moiré superlattices. In this review, experimental observations and theoretical perspectives related to interlayer interactions in 1D vdW moiré superlattices are summarized. The discussion focuses on double-walled carbon nanotubes (DWNTs), a model 1D vdW moiré system, and the authors highlight the new optical features emerging from the non-trivial strong interlayer coupling effect and the unique physics in 1D DWNTs. Future directions and questions in probing the intriguing physical phenomena in 1D vdW moiré superlattices such as, correlated physics in different 1D moiré systems beyond DWNTs are proposed and discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗