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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5

Advanced Modes of Electrostatic and Kelvin Probe Force Microscopy for Energy Applications

Since their invention over three decades ago, electrostatic and Kelvin probe force microscopies (EFM and KPFM) have become primary tools for the characterization of electrical phenomena on the nanometer scale, with multiple applications for ferroelectrics, photovoltaics, batteries, and fuel cells among a myriad of other energy-related materials. Meanwhile, the techniques have undergone remarkable advances in terms of resolution, sensitivity, and informational content (e.g., dynamic information). In this chapter, we review the operational principles behind classical EFM/KPFM, including the various excitation/detection schemes, while also highlighting potential cross-talk and instrumental issues. Beyond classical approaches, we will describe more recent advances involving open loop detection, multifrequency/multidimensional excitation, and time-resolved methods. Finally, potential pathways for the further development of EFM/KPFM at the solid-liquid interface are discussed.

Checa, Marti↗

Computational analysis of deployable wind turbine systems in defense operational energy applications.

The U.S. military has been exploring pathways to reduce the logistical burden of fuel on virtually all their missions globally. Energy harvesting of local resources such as wind and solar can help increase the resilience and operational effectiveness of military units, especially at the most forward operating bases where the fuel logistics are most challenging. This report considers the potential benefits of wind energy provided by deployable wind turbines as measured by a reduction in fuel consumption and supply convoys to a hypothetical network of Army Infantry Brigade Combat Team bases. Two modeling and simulation tools are used to represent the bases and their operations and quantify the impacts of system design variables that include wind turbine technologies, battery storage, number of turbines, and wind resource quality. The System of Systems Analysis Toolkit Joint Operational Energy Model serves as a baseline scenario for comparison. The Hybrid Optimization of Multiple Energy Resources simulation tool is used to optimize a single base within the larger Joint Operational Energy Model. The results of both tools show that wind turbines can provide significant benefits to contingency bases in terms of reduced fuel use and number of convoy trips to resupply the base. The match between the turbine design and wind resource, which is statistically low across most of the global land area, is a critical design consideration. The addition of battery storage can enhance the benefits of wind turbines, especially in systems with more wind turbines and higher wind resources. Wind turbines may also provide additional benefits to other metrics such as resilience that may be important but not fully considered in the current analysis. ACKNOWLEDGEMENTS The authors would like to thank the following individuals for their helpful support, feedback and review to improve this report: U.S. Department of Energy Wind Energy Technologies Office, Patrick Gilman and Bret Barker; Idaho National Laboratory, Jake Gentle and Bradley Whipple; The National Renewable Energy Laboratory, Robert Preus and Tony Jimenez; Sandia National Laboratories, Alan Nanco, Dennis Anderson, and Hai Le. In addition, numerous discussions with military and industry stakeholders over the year were invaluable in focusing the efforts represented in this report.

17 WIND ENERGY↗

N-Doped Graphene (N-G)/MOF(ZIF-8)-Based/Derived Materials for Electrochemical Energy Applications: Synthesis, Characteristics, and Functionality

In recent years, graphene-type materials originating from metal–organic frameworks (MOFs) or integrated with MOFs have exhibited notable performances across various applications. However, a comprehensive understanding of these complex materials and their functionalities remains obscure. While some studies have reviewed graphene/MOF composites from different perspectives, due to their structural–functional intricacies, it is crucial to conduct more in-depth reviews focusing on specific sets of graphene/MOF composites designed for particular applications. In this review, we thoroughly investigate the syntheses, characteristics, and performances of N-G/MOF(ZIF-8)-based/derived materials employed in electrochemical energy conversion and storage systems. Special attention is given to realizing their fundamental functionalities. The discussions are divided into three segments based on the application of N-G/ZIF-8-based/derived materials as electrode materials for batteries, electrodes for electrochemical capacitors, and electrocatalysts. As electrodes for batteries, N-G/MOF(ZIF-8) materials can mitigate issues like an electrode volume expansion for Li-ion batteries and the ‘shuttle effect’ for Li-S batteries. As electrodes for electrochemical capacitors, these materials can considerably improve the ion transfer rate and electronic conductivity, thereby enhancing the specific capacitance while maintaining the structural stability. Also, it was observed that these materials could occasionally outperform standard platinum-based catalysts for the electrochemical oxygen reduction reaction (ORR). The reported electrochemical performances and structural parameters of these materials were carefully tabulated in uniform units and scales. Through a critical analysis of the present synthesis trends, characteristics, and functionalities of these materials, specific aspects were identified that required further exploration to fully utilize their inherent capabilities.

Electrochemistry↗

Investigating the relationship between simulation parameters and flow variables in simulating atmospheric gravity waves for wind energy applications

Wind farms, particularly offshore clusters, are becoming larger than ever before. Besides influencing the surface wind flow and the inflow for downstream wind farms, large wind farms can trigger atmospheric gravity waves in the inversion layer and the free atmosphere aloft. Wind-farm-induced gravity waves can cause adverse pressure gradients upstream of the wind farm, which contribute to the global blockage effect, and can induce favorable pressure gradients above and downstream of the wind farm that enhance wake recovery. Numerical modeling is a powerful means of studying these wind-farm-induced atmospheric gravity waves, but it comes with the challenge of handling spurious reflections of these waves from domain boundaries. Typically, approaches which employ radiation boundary conditions and forcing zones are used to avoid these reflections. However, the simulation setup of these approaches relies heavily on ad hoc processes. For instance, the widely used Rayleigh damping method requires ad hoc tuning to produce a setup that may only produce satisfactory results for a particular case. To provide more systematic guidance on setting up realistic simulations of atmospheric gravity waves, we conduct a large-eddy simulation (LES) study of flow over a 2D hill and through a wind farm canopy that explores the optimum domain size and damping layer setup depending on the fundamental parameters which determine the flow characteristics. In this work, we only consider linearly stratified conditions (i.e., no inversion layer), thereby focusing on internal gravity waves in the free atmosphere and their reflections from the domain boundaries. This type of flow is governed by a single Froude number, which dictates most of the internal wave properties, such as wavelength, amplitude, and direction. This, in turn, will dictate the optimum domain size and Rayleigh damping layer setup. We find the effective horizontal and vertical wavelengths (the representative wavelengths of the entire wave spectrum) to be the appropriate length scales to size the domain and damping layer thickness, and the optimal Rayleigh damping coefficient scales with the Brunt–Väisälä frequency. Considering Froude numbers seen in wind farm applications, we propose recommendations to limit the reflections to less than 10 % of the total upward-propagating wave energy. Typically, damping is done at the top boundary, but given the non-periodic lateral boundary conditions of practical wind farm simulation domains, we find that damping the inflow–outflow boundaries is of equal importance to damping the top boundary. The Brunt–Väisälä frequency-normalized damping coefficient should be between 1 and 10. The damping layer thickness should be at least one effective vertical wavelength; damping layers exceeding 1.5 times the vertical wavelength are found to be unnecessary. The domain length and height should accommodate at least one effective horizontal and vertical wavelength, respectively. Moreover, Rayleigh damping does not damp the waves completely, and the non-damped energy might accumulate over the simulation time.

17 WIND ENERGY↗

A FFT-based mesoscale continuum dislocation mechanics with defect energy: Applications to composites and polycrystals

A crystal plasticity elastoviscoplastic FFT (fast Fourier transform) formulation with a mesoscale continuum field dislocation mechanics model is presented, which incorporates a defect energy density that depends on GND densities and an associated material length scale. This allows to thermodynamically derive internal length scale dependent intra-crystalline backstress and Peach–Koehler force acting on GND densities. The model considers GND density evolution through a filtered numerical spectral approach, which is coupled with stress equilibrium through the elastoviscoplastic FFT algorithm. The discrete Fourier transform (DFT) method together with finite difference (FD) schemes is applied to solve both the backstress tensor and the Fourier–Green operator. Numerical results are first reported for two-phase laminate composites with plastic single crystal channels and elastic precipitates for shear loadings. Channel size effects are simulated and analyzed on the overall and local hardening behaviors during monotonous loadings. In addition, the evolutions of GND densities and the role of their associated backstress on size effects are examined during reversible shear loading. In a second part, the role of the defect energy internal length scale on polycrystal’s hardening during tension–compression is discussed. The results are compared to those obtained using FFT-based continuum field dislocation mechanics without defect energy.

36 MATERIALS SCIENCE↗

Coupling Mesoscale Budget Components to Large-Eddy Simulations for Wind-Energy Applications

To simulate the airflow through a wind farm across a wide range of atmospheric conditions, microscale models (e.g., large-eddy simulation, LES, models) have to be coupled with mesoscale models, because microscale models lack the atmospheric physical processes to represent time-varying local forcing. Here we couple mesoscale model outputs to a LES solver by applying mesoscale momentum- and temperature-budget components from the Weather Research and Forecasting model to the governing equations of the Simulator fOr Wind Farm Applications model. We test whether averaging the budget components affects the LES results with regard to quantities of interest to wind energy. Our study focuses on flat terrain during a quiescent diurnal cycle. The simulation results are compared with observations from a 200-m tall meteorological tower and a wind-profiling radar, by analyzing time series, profiles, rotor-averaged quantities, and spectra. However, while results show that averaging reduces the spatio-temporal variability of the mesoscale momentum-budget components, when coupled with the LES model, the mesoscale bias (in comparison with observations of wind speed and direction, and potential temperature) is not reduced. In contrast, the LES technique can correct for shear and veer. In both cases, however, averaging the budget components shows no significant impact on the mean flow quantities in the microscale and is not necessary when coupling mesocale budget components to the LES model.

17 WIND ENERGY↗

Defect Diffusion Graph Neural Networks for Materials Discovery in High-Temperature Energy Applications

Here, the migration of crystallographic defects dictates material properties and performance for a plethora of technological applications. Density functional theory (DFT)-based nudged elastic band (NEB) calculations are a powerful computational technique for predicting defect migration activation energy barriers, yet they become prohibitively expensive for high-throughput screening of defect diffusivities. Without introducing hand-crafted (i.e., chemistry- or structure-specific) descriptors, we propose a generalized deep learning approach to train surrogate models for NEB energies of vacancy migration by hybridizing graph neural networks with transformer encoders and simply using pristine host structures as input. With sufficient training data, computationally efficient and simultaneous inference of vacancy defect thermodynamics and migration activation energies can be obtained to compute temperature-dependent vacancy diffusivities and to down-select candidates for more thorough DFT analysis or experiments. Thus, as we specifically demonstrate for potential water-splitting materials, candidates with desired defect thermodynamics, kinetics, and host stability properties can be more rapidly targeted from open-source databases of experimentally validated or hypothetical materials.

14 SOLAR ENERGY↗

Experimental testing of additively manufactured embedded fiber optic smart devices for clean energy applications

Abstract An additively manufactured prototype smart device was created to investigate in-flow temperature distributions using embedded high-definition fiber optic sensors within a component for clean energy systems. The devices were created using Ultrasonic Additive Manufacturing to create a unique embedded pathway within a flow conditioner for the high-definition fiber optic sensors to be placed within. The fibers used allowed for temperature measurements to be taken every 0.65 mm along the fiber. The high-resolution fibers were thermally calibrated enable the 2D reconstruction of the temperature profile in the flow path of the structure. This is due to the temperature-related strain response of the material and strain measurements of the fibers. Hot airflow testing of these devices showed the ability to identify localized temperature differences in the flow. The observed strain response within the smart device had higher strain concentrations in the thicker web regions than in the thinner web regions. These higher strain regions resulted in higher uncertainties for the temperature responses. Further calibration is needed to improve the accuracy of the smart devices, specifically within the inner web structures of a flow straightening component. Further investigations of the devices within flow showed the temperature sensing to be independent of the effects of flow velocity. The devices were able to distinguish temperature differences within single and two-phase flow and showed local sensitivity to the temperature changes with the identification of hot and cold spots. The presented results showed the viability of the smart device for obtaining detailed temperature distributions using common industrial components. Eventually, the goal for these smart devices will be to withstand higher temperature and pressure environments such as those experienced in nuclear, fusion, and concentrated solar energy systems.

Donlan, Connor F. (ORCID:0000000223317882)↗

Developing Renewable Energy Applications for Water Treatment Technologies and Transmission

The need for smaller treatment facilities for more isolated or rural municipal entities and industrial water treatment facilities continues to grow. From environmental justice and energy needs in remote communities that have never been serviced by larger scale utilities to smaller onsite treatment requirements to meet discharge regulations, energy efficient treatment systems that can leverage renewable energy sources can be an important asset to owners. Climate change and population dynamics have changed the needs for distributed water treatment systems and the manner in which they function. New treatment technologies that can operate under dynamic conditions and leverage variable energy sources (e.g., renewable energy, RE) can provide substantial efficiencies and cost savings. The National Renewable Energy Laboratory (NREL) is embarking on research projects that will perform multi-scale studies to investigate treatment technologies on varying source water quality that can operate under unsteady state flow conditions (timing) in response to energy availability, supply, and demand. A pilot-scale system will be built to assess modularity and scaling of treatment system operating conditions and performance. Modeling will also be used to determine feasibility and integration into grid emulation platforms to understand the use and value of operation with RE. Optimization will be completed for the treatment and distribution systems to document strengths and weaknesses of using RE power sources. Results of this effort will advance dynamic water treatment understanding under variable conditions and integration of RE sources to power these systems. This will lead to further decarbonization of municipal and private treatment facilities while supporting a paradigm shift in water treatment process operation and system design to achieve net-zero goals and move toward energy-sensitive resilient water treatment systems.

ENERGY PLANNING, POLICY, AND ECONOMY↗

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry

Modeling complex materials using high-fidelity, ab initio methods at low cost is a fundamental goal for quantum chemical software packages. The GW approximation and random phase approximation (RPA) provide a unified description of both electronic structure and total energies using the same physics in a many-body perturbative approach that can be more accurate than generalized-gradient density functional theory (DFT) methods. However, GW/RPA implementations have historically been limited to either specific materials classes or application toward small chemical systems. Here, the static subspace approximation allows for reduced cost full-frequency GW/RPA calculations and has previously been benchmarked thoroughly for GW calculations. Here, we describe our approach to including partial occupations of electronic orbitals in full-frequency GW and RPA calculations for the study of electrocatalysts. We benchmarked RPA total energy calculations using the subspace approximation across a diverse test suite of materials for a variety of computational parameters. The benchmarking quantifies the impact of different extrapolation procedures for representing the static polarizability at infinite screened cutoff, and shows that using screened cutoffs above 20-25 Ryd result in diminishing accuracy returns for predicting RPA total energies. Additionally, for moderately sized electrocatalytic models, 2-3 times fewer computational resources are used to compute RPA total energies by representing the static polarizability with 20-30% of the static subspace basis, with an error of approximately 0.01 eV or better in RPA adsorption energy calculations. Finally, we show that for these electrochemical models RPA can shift DFT adsorption energy shifts by up to 0.5 eV and that GW can frequently shift DFT eigenvalues of surface and adsorbate states by approximately 0.5-1 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advanced Manufacturing of Alpha Double Prime Iron Nitride (ADPIN): An Innovative Rare Earth Element (REE) Free Ultra-High Performance Permanent Magnet for Clean Energy Applications

Iron nitride magnets offer the potential for large magnetic remanence magnets absent any rare earth materials [1]. This project was submitted in response to the funding opportunity announcement (FOA) from the Advanced Manufacturing Office (AMO) of the Office of Energy Efficiency & Renewable Energy (EERE) of the Department of Energy (DOE): DE-FOA-0001465: Advanced Manufacturing Projects for Emerging Research Exploration; Topic Area 1: Advanced Materials; Subtopic 1.1: Innovative Advanced Materials Manufacturing for Clean Energy to explore nitriding iron powder using a fluidized bed technique which if successful would accomplish nitriding the iron powder with reduce industrial energy intensity. Of particular concern when using metal powders at high temperatures in a fluidized bed reactor is the defluidization temperature of the bed, also known as the ‘bed collapse’ temperature. Above the defluidization temperature the metal powders can no longer fluidize and instead become an undesirable packed powder bed. Using the published results from the Institute of Process Engineering at the Chinese Academy of Sciences in Beijing, China, FeNix Magnetics was able to develop a spreadsheet calculation that allowed predictive guidelines for the defluidization temperature of iron powder based on the type of carrier gas, flow rate of the carrier gas, and the iron powder diameter. FeNix Magnetics was not able to conclude whether the temperatures to avoid bed defluidization that were achievable in a fluidized bed reactor actually resulted in nitriding the iron powder to the required level. In order to measure the amount of nitrogen in the iron powder, FeNix Magnetics contracted with the DOE sponsored Advanced Photon Source (APS) at Argonne National Laboratory to conduct X-Ray diffraction measurements. Unfortunately, due to COVID-19 restrictions, the DOE sponsored APS was closed and unable to provide X-Ray Diffraction measurements during this program.

36 MATERIALS SCIENCE↗

Quantum Sensing for Energy Applications

Quantum sensing is creating potentially transformative opportunities to exploit intricate quantum mechanical phenomena in new ways to make ultrasensitive measurements of multiple parameters. A growing interest in quantum sensing has created opportunities for its deployment to improve processes pertaining to energy production, distribution, and consumption. NETL is leveraging experimental and computational quantum tools to enhance sensitivity of hybrid quantum-classical ultrasensitive sensors for the detection of hydrocarbons and rare earth elements (REEs).

Paudel, Hari P.↗

Addressing Critical Problems in Materials Science Through Multiscale and Multimode Characterization (Project 1); Characterization and Optimization of Novel Triple-Conducting Oxide Materials for Energy Applications (Project 2) (CRADA Final Report)

PROJECT 1: Address critical problems in materials science and simultaneously advance the state-of-the-art in multiscale and multimode characterization using the combined advanced analytical capabilities and expertise of Colorado School of Mines (CSM) and the National Renewable Energy Laboratory (NREL). The primary effort of the Phase I of this CRADA is to establish the International Center for Multiscale Characterization using shared resources at both NREL and CSM. Phase II will focus on capability development and marketing, choosing candidate materials science issues in the areas of structure imaging, chemical composition mapping, and correlating properties and performance of materials for impact in energy-related, environmental and critical materials areas. The CRADA will be modified to include specific topics of concern in materials science to industry member partners. Advanced analytical capabilities and expertise at CSM and NREL will be used to advance materials understanding and performance through characterization of multiscale phenomena including structural imaging, chemical composition mapping, and other techniques correlating properties and performance of materials. PROJECT 2: As part of the International Center for Materials Characterization, work under Modification #1 will be led by Colorado School of Mines (CSM), working in collaboration with NREL staff to mentor and advise CSM postdoctoral researchers on set up of diffusion annealing experiments. The purpose of the modification is to provide for NREL staff to mentor and advise CSM postdoctoral researchers on set up of diffusion annealing experiments, including mentoring and advising the CSM-NREL team on proper Secondary Ion Mass Spectrometry (SIMS) data analysis as needed. SIMS measurements of 10-20 samples will be performed at NREL during the project duration.

08 HYDROGEN↗

Technical report Letter: RAFM, ODS steels and MMLC for Nuclear energy application

The lifetime, thermodynamic efficiency, safety and economic viability of new generation fission and fusion reactor concepts can largely be tied to the mechanical performance and stability of structural alloys under extreme environments. In this context, engineered nano materials could have broad-reaching impact on the future of advanced nuclear fuel-cycle and reactors. These systems are characterized by a large number density of interfaces which are efficient sinks for point defects and moderately biased; therefore limiting the deleterious effects of irradiation. Broadly, nuclear nano-technology deals with the use of the latest engineered-nanomaterials for improving the nuclear power performances and safety in all areas of nuclear energy production to bring new generations of nuclear power units. New advanced fuel assembly designs also have implications for securities and safeguards. To support the readiness for potential future license applications, an understanding of the technologies that would enable new reactor designs in the areas of component performance and domestic safeguards is necessary. This technical report letter work explores the technical issues and potential regulatory considerations associated with developing and adopting fuel claddings made of advanced nano- materials. Specifically three classes of nanomaterials are considered: (i) reduced activation ferritic/martensitic (RAFM) steels, (ii)oxide dispersed steels (ODS) and (iii) multi-metallic layered composites (MMLC).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Polymer Additive Manufacturing for Marine Renewable Energy Applications: Best Practices, Research Trends, and Current Challenges

Additive manufacturing (AM) is a rapidly growing technology space, not only for prototyping, but is also becoming more feasible at larger scales and increasing component quantities. There are a large variety of AM processes and materials available to users and effectively applying those processes and materials to a specific use case can be challenging. One specific area where AM could be particularly beneficial is marine renewable energy (MRE). Not only is MRE a relatively nascent industry with a near-term need for rapid deployments and prototype testing, but developers could also see long-term benefits from the broad variety of environmentally resistant materials available and the ability to manufacture complex geometries that AM technologies offer. Over the past 4 years, AM materials have played an increasing role in the Advanced Materials project; a multi-year, multi-laboratory research project funded by the U.S. Department of Energy's Water Power Technologies Office, with the main goal of reducing barriers to the adoption of complex materials in the MRE industry. The primary focus of this project is to develop test methods and generate datasets to understand the long-term performance of advanced materials in marine environmental and address specific material challenges as they arise. This report provides an extensive overview of the research that has been performed specific to AM polymers as part of the Advanced Materials project. The intention of this document is to provide recommendations of best practices with regards to material selection, mechanical test method development, and design practices, lessons learned along the way, current research trends, and ongoing challenges with regards to AM polymers in marine environments. In particular, this report focuses on several key aspects: Material and process selection, Environmental conditioning and subsequent degradation quantification through mechanical characterization, Composite reinforcements on AM polymer substrates, Adhesion of instrumentation for mechanical characterization and loads measurements, Protective coatings for preventing biofouling and water ingress, Other MRE case studies where AM has proved particularly useful. Ultimately, we hope that the test methods that have been developed, data generated, and lessons learned from this research will be valuable to the MRE community (researchers and developers alike), as well as other industries, and can be used as a reference point as the respective MRE and AM industries continue to grow and mature.

16 TIDAL AND WAVE POWER↗

Heteroatom-doped porous carbons for clean energy applications and methods for their synthesis

Methods for a facile, template free and one-step synthesis of nanoporous carbons by using a heterocyclic aromatic organic compound as a single source precursor of both carbon and nitrogen are described. The heterocyclic aromatic organic compound contains nitrogen in pyrrolic and/or pyridinic positions and is chemically activated with NaOH, KOH or ZnCl2 at high temperatures in a solid state mixture as a synthesis protocol to promote fine micropores during carbonization. Nanoporous carbons synthesized by these methods that have superior gas sorption/storage and energy storage properties are also described. The nanoporous carbons are useful as carbon sequestration agents and supercapacitors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗