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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Reticular Chemistry for Highly Porous Metal–Organic Frameworks: The Chemistry and Applications

Current global crises related to clean energy and the environment entail the development of materials that are capable of addressing these challenges. Metal–organic frameworks (MOFs), a class of functional materials assembled from metal-containing nodes and organic ligands via coordination bonds, have been successfully developed for various applications, including catalysis, toxic chemical removal, and gas storage and separation, as a result of their highly tailorable nature and precisely engineered pore structures. In particular, the exceptionally high surface areas and porosities of MOFs are two of their most attractive characteristics and place them among the best porous materials for the storage of clean energy gases, such as hydrogen and methane. Reticular chemistry stands out as a prominent approach to the design of MOFs as this strategy allows for the rational top-down design of frameworks guided by topological nets to afford extended framework structures with precise architectural arrangements at the molecular level. Furthermore, bridging the gap between reticular chemistry design strategies and highly porous MOFs can facilitate the development of next-generation high-performance materials through state-of-the-art chemical design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Development of a Solar Heat and Power Co-Generation System. Final Report, CRADA No. TC02152.0

Final Report, CRADA No. TC02152.0. Date Technical Work Ended: October 28, 2013. This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Tassajara Technologies, Inc. (TTI), to develop, fabricate and demonstrate a Solar Heat and Power Co-generation System. The technical objectives of this CRADA were to engineer, design and build a prototype Solar Thermal Process Heat and Power Demonstration System that would be suitable for use at the Arc of Hilo food processing facility. This would be accomplished in two phases. The first phase would entail the building of a prototype at Tassajara facilities. Base design parameters, including the subsystem interactions that would produce reliable performance at the lowest cost per watt of energy generated with the desired balance of power and heat to meet the requirements of the designated food processing applications from Arc of Hilo, would be provided by LLNL. The data and design development would be integrated into the second phase engine prototype and solar thermal system that would be built and delivered, with interface requirements to the Miko Building. This project was originally designated as an eight (8) month project. However, it was ultimately extended by an additional thirty-five (35) months, for total project duration of forty-three (43) months.

14 SOLAR ENERGY↗
DOE OSTI2021

Development of a Solar Heat and Power Co-Generation System. Final CRADA Report

Final Report CRADA No. TC02152.0 Date Technical Work Ended: October 28, 2013. This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Tassajara Technologies, Inc. (TTI), to develop, fabricate and demonstrate a Solar Heat and Power Co-generation System. The technical objectives of this CRADA were to engineer, design and build a prototype Solar Thermal Process Heat and Power Demonstration System that would be suitable for use at the Arc of Hilo food processing facility. This would be accomplished in two phases. The first phase would entail the building of a prototype at Tassajara facilities. Base design parameters, including the subsystem interactions that would produce reliable performance at the lowest cost per watt of energy generated with the desired balance of power and heat to meet the requirements of the designated food processing applications from Arc of Hilo, would be provided by LLNL. The data and design development would be integrated into the second phase engine prototype and solar thermal system that would be built and delivered, with interface requirements to the Miko Building.

14 SOLAR ENERGY↗
DOE OSTI2025

Autonomous Multistate Nanoencoding Using Combinatorial Ferroelectric Closure Domains in BiFeO 3

Recent advances in ferroic materials have identified topological defects as promising candidates for enabling additional functionalities in future electronic systems. The generation of stable and customizable polar topologies is needed to achieve multistates that enable beyond-binary device architectures. Here, in this study, we show how to autonomously pattern on-demand highly tunable striped closure domains in pristine rhombohedral-phase BiFeO 3 thin films through precise scanning of a biased atomic force microscopy tip along carefully designed paths. By employing this strategy, we generate and manipulate closed-loop structures with high spatial resolution in an automated manner, allowing the creation of highly tunable and intricate topological domain structures that exhibit distinct polarization configurations without the need for electrode deposition or complex heterostructure growth. As a proof-of-concept for ferroelectric beyond-binary memory devices, we use such topological domains as multistates, engineering an alphabet and automating the symbolic writing/reading process using autonomous microscopy. The resulting information density is compared with that of current commercially available memory devices, demonstrating the potential of ferroelectric topological domains for multistate information storage applications.

BiFeO3↗
DOE OSTI2022

Dynamic responses of submerged components in advanced reactors: experimental and numerical studies

The seismic design of an advanced nuclear reactor must consider the interaction of vessel internal components with the surrounding coolant: fluid–structure interaction (FSI). Available analytical solutions for FSI of submerged components do not accommodate multiple-component, intense seismic inputs and complex reactor and internal geometries. Physical testing of reactor vessels and internals to inform seismic design is impractical and cost-prohibitive, leaving the use of verified and validated, robust numerical models as the only plausible option for analysis and design. Physical data that could be used for validating such numerical models for multi-component shaking are not available. This article describes an experimental program performed on a 6-degree-of-freedom earthquake simulator to generate data that could support validation of seismic FSI numerical models for submerged components in commercial finite element codes. A scaled model of a base-supported reactor vessel with simplified representations of submerged internals was tested to generate submerged-component response histories for a range of seismic inputs. The generated data were used to validate numerical models in the finite element code LS-DYNA. Numerical models were validated for calculation of hydrodynamic pressure responses on internals, in-water frequencies of internals, and acceleration responses of internals. The generated data and the analysis recommendations could aid engineering analysts designing submerged components and systems for seismic effects.

Engineering↗
DOE OSTI2022

Computational synthesis of 2D materials: A high-throughput approach to materials design

2D materials find promising applications in next-generation devices, however, large-scale, low-defect, and reproducible synthesis of 2D materials remains a challenging task. Here, to assist in the selection of suitable substrates for the synthesis of as-yet hypothetical 2D materials, we have developed an open-source high-throughput workflow package, Hetero2d, that searches for low-lattice mismatched substrate surfaces for any 2D material and determines the stability of these 2D-substrate heterostructures using density functional theory (DFT) simulations. Hetero2d automates the generation of 2D-substrate heterostructures, the creation of DFT input files, the submission and monitoring of computational jobs on supercomputing facilities, and the storage of relevant parameters alongside the post-processed results in a MongoDB database. We demonstrate the capability of Hetero2d in identifying stable 2D-substrate heterostructures for four 2D materials, namely 2H-MoS 2 , 1T- and 2H-NbO 2 , and hexagonal-ZnTe, considering 50 cubic elemental substrates. We find Cu, Hf, Mn, Nd, Ni, Pd, Re, Rh, Sc, Ta, Ti, V, W, Y, and Zr substrates sufficiently stabilize the formation energies of these 2D materials, with binding energies in the range of ~0.1–0.6 eV/atom. Upon examining the z-separation, the charge transfer, and the electronic density of states at the 2D-substrate interface, we find a covalent type bonding at the interface which suggests that these substrates can be used as contact materials for the 2D materials. Hetero2d is available on GitHub as an open-source package under the GNU license.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Performance of pumped counterflow virtual impactors to study aerosol interactions with laboratory generated warm clouds

Pumped Counterflow Virtual Impactors (PCVI) are designed to separate aerosols based on aerodynamic diameter, which is particularly useful for isolating cloud droplets and ice crystals from smaller particles. However, the PCVI transmission efficiency (TE) values reported in the literature show considerable variability, and little information is available on the TEs for cloud liquid droplets. Here, we determined the optimal flow conditions for PCVI sampling for different activation ratios from the MTU Pi-cloud chamber, highlighting the conditions that maximize droplet residual sampling while minimizing interstitial transmission. Even for a lower limit cloud activation ratio = 1:10, an add flow of 1.5 LPM achieves a residual fraction greater than 0.80, with a droplet TE of ∼15% for typical Pi-Chamber droplets with diameters between 3.5 to 10 µm. This framework can be adapted for field cloud measurements based on the cloud conditions of interest. TE for cloud droplets under flow conditions at which ∼99% of the unactivated submicron particles were removed was substantially lower between 8 and 16% than for supermicron dry particles (∼30 to 40% for 3 µm polystyrene latex spheres). In addition, we conducted a comparison of the performances of three similar PCVI units to assess repeatability for dry aerosols and cloud droplets. All three PCVIs performed similarly in rejecting submicron particles smaller than the desired cutoff diameter. One of the units showed lower TEs due to a misalignment of the internal orifice. We discuss a procedure that improved alignment and performance.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Competitiveness Improvement Project Informational Workshop

The National Renewable Energy Laboratory (NREL) is hosted an in-person workshop and webinar for the distributed wind Competitiveness Improvement Project (CIP) on Tuesday, December 17, 2019, at NREL's Flatirons Campus. The CIP is a periodic solicitation issued by NREL on behalf of the U.S. Department of Energy's Wind Energy Technologies Office. Through a competitive process, component suppliers and manufacturers of small- to medium-sized wind turbine technology are awarded cost-shared subcontracts to optimize their designs, develop advanced manufacturing processes, and perform turbine testing. The CIP aims to make wind energy cost competitive with other distributed generation technologies and increase the number of wind turbine designs certified to national performance and safety standards.

17 WIND ENERGY↗
DOE OSTI2021

INTEGRATE - Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements

The INTEGRATE (Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements) project is developing a new inverse-design capability for the aerodynamic design of wind turbine rotors using invertible neural networks. This AI-based design technology can capture complex non-linear aerodynamic effects while being 100 times faster than design approaches based on computational fluid dynamics. This project enables innovation in wind turbine design by accelerating time to market through higher-accuracy early design iterations to reduce the levelized cost of energy. INVERTIBLE NEURAL NETWORKS Researchers are leveraging a specialized invertible neural network (INN) architecture along with the novel dimension-reduction methods and airfoil/blade shape representations developed by collaborators at the National Institute of Standards and Technology (NIST) learns complex relationships between airfoil or blade shapes and their associated aerodynamic and structural properties. This INN architecture will accelerate designs by providing a cost-effective alternative to current industrial aerodynamic design processes, including: - Blade element momentum (BEM) theory models: limited effectiveness for design of offshore rotors with large, flexible blades where nonlinear aerodynamic effects dominate - Direct design using computational fluid dynamics (CFD): cost-prohibitive - Inverse-design models based on deep neural networks (DNNs): attractive alternative to CFD for 2D design problems, but quickly overwhelmed by the increased number of design variables in 3D problems AUTOMATED COMPUTATIONAL FLUID DYNAMICS FOR TRAINING DATA GENERATION - MERCURY FRAMEWORK The INN is trained on data obtained using the University of Marylands (UMD) Mercury Framework, which has with robust automated mesh generation capabilities and advanced turbulence and transition models validated for wind energy applications. Mercury is a multi-mesh paradigm, heterogeneous CPU-GPU framework. The framework incorporates three flow solvers at UMD, 1) OverTURNS, a structured solver on CPUs, 2) HAMSTR, a line based unstructured solver on CPUs, and 3) GARFIELD, a structured solver on GPUs. The framework is based on Python, that is often used to wrap C or Fortran codes for interoperability with other solvers. Communication between multiple solvers is accomplished with a Topology Independent Overset Grid Assembler (TIOGA). NOVEL AIRFOIL SHAPE REPRESENTATIONS USING GRASSMAN SPACES We developed a novel representation of shapes which decouples affine-style deformations from a rich set of data-driven deformations over a submanifold of the Grassmannian. The Grassmannian representation as an analytic generative model, informed by a database of physically relevant airfoils, offers (i) a rich set of novel 2D airfoil deformations not previously captured in the data , (ii) improved low-dimensional parameter domain for inferential statistics informing design/manufacturing, and (iii) consistent 3D blade representation and perturbation over a sequence of nominal shapes. TECHNOLOGY TRANSFER DEMONSTRATION - COUPLING WITH NREL WISDEM Researchers have integrated the inverse-design tool for 2D airfoils (INN-Airfoil) into WISDEM (Wind Plant Integrated Systems Design and Engineering Model), a multidisciplinary design and optimization framework for assessing the cost of energy, as part of tech-transfer demonstration. The integration of INN-Airfoil into WISDEM allows for the design of airfoils along with the blades that meet the dynamic design constraints on cost of energy, annual energy production, and the capital costs. Through preliminary studies, researchers have shown that the coupled INN-Airfoil + WISDEM approach reduces the cost of energy by around 1% compared to the conventional design approach. This page will serve as a place to easily access all the publications from this work and the repositories for the software developed and released through this pr...

aerodynamics↗
DOE OSTI2021

Reliability Implications of Solder in Multiwire Modules under Dynamic Mechanical Loading

Two generations of multiwire modules were studied under dynamic mechanical loading (DML) with in-situ differential conductance (dG) and electroluminescence (EL) imaging. Energy-dispersive x-ray spectroscopy (EDS) was used to identity the solder alloys. The earlier generation module was found to use an In-based solder alloy, and the current generation a Bi-based alloy. The earlier generation module degraded significantly under DML with increasing resistance, while the current generation module did not demonstrate degradation under DML. Atomic force microscopy scratch testing was used to probe the wear resistance of each solder alloy. These results indicate that current multiwire designs may have higher mechanical durability than earlier generations.

atomic force microscopy↗
DOE OSTI2020

Building the Efficiency Workforce: Preprint

Demand for high-performance homes and buildings is growing due to their marketability, environmental benefits, and increasing affordability. Growth for energy efficient technologies and building upgrades has driven expansion across many traditional industries including construction trades (which added almost 21,000 jobs) and professional services (which added 35,000 employees) in 2018, according to the 2019 U.S. Energy Employment Report (USEER). As buildings become more automated, digitized and interconnected, the workforce that supports the design, build, operations and maintenance of these buildings must evolve. The U.S. Department of Energy’s Building Technologies Office (BTO) has engaged NREL to provide a framework upon which BTO can develop their next generation workforce development strategy. The strategy will be designed to increase quantity of workers with the skills to adequately design, install, maintain and operate high- performance buildings across all building sectors (residential, commercial, industrial). This paper will summarize past BTO workforce development efforts, identify current skills gaps and hiring challenges, and present anticipated future workforce needs based on new technologies currently being developed by labs and industry. Through a literature review and a series of industry and academic workshops, NREL will present a framework that includes multiple options to best prepare the next generation workforce.

buildings↗
DOE OSTI2020

Iron-based binary ferromagnets for transverse thermoelectric conversion

Thermoelectric generation using the anomalous Nernst effect (ANE) has great potential for application in energy harvesting technology because the transverse geometry of the Nernst effect should enable efficient, large-area and flexible coverage of a heat source. For such applications to be viable, substantial improvements will be necessary not only for their performance but also for the associated material costs, safety and stability. In terms of the electronic structure, the anomalous Nernst effect (ANE) originates from the Berry curvature of the conduction electrons near the Fermi energy. To design a large Berry curvature, several approaches have been considered using nodal points and lines in momentum space. Here we perform a high-throughput computational search and find that 25 percent doping of aluminium and gallium in alpha iron, a naturally abundant and low-cost element, dramatically enhances the ANE by a factor of more than ten, reaching about 4 and 6 microvolts per kelvin at room temperature, respectively, close to the highest value reported so far. The comparison between experiment and theory indicates that the Fermi energy tuning to the nodal web—a flat band structure made of interconnected nodal lines—is the key for the strong enhancement in the transverse thermoelectric coefficient, reaching a value of about 5 amperes per kelvin per metre with a logarithmic temperature dependence. We have also succeeded in fabricating thin films that exhibit a large ANE at zero field, which could be suitable for designing low-cost, flexible microelectronic thermoelectric generators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Design, scaling and cost evaluations of circulating fluidized-bed systems for biomass pyrolysis

To generate updated and transparent capital cost estimates for biomass fast pyrolysis equipment, refinery fluidized catalytic cracking design and sizing principles are examined and extended to pyrolysis of woody biomass. Capital costs for the sized equipment are estimated with process-industry software. A one-dimensional flow simulation with pyrolysis kinetics is leveraged to validate the fluidization conditions and thermal energy balance. After successful sizing and a system cost estimate of $\$$2.8 M (in 2016 US$\$$) at the biorefinery scale of 1000 metric tons per day (MTD), these methods were exercised for even smaller equipment at the distributed pyrolysis scale with modifications to the process design constraints, and not directly comparable with the 1000 MTD case, arriving at capital cost estimates of $\$$1.2 M for a 500 ton/day system and $\$$0.9 M for a 200 ton/day system. Here in this work, It is noted that this work only estimates purchased equipment costs at the ±50% accuracy level; there are significant other custom factors applicable to each installation based on location, maturity, scale, complexities during installation, engineering and licensing costs, etc. that need to be added on to these estimates to derive investment costs.

09 BIOMASS FUELS↗
DOE OSTI2022

Experimental Determination of Constitutive Response of Alloy 800H in Support of Viscoplastic Constitutive Model Development for ASME Section III, Division 5, Class A Applications

In FY 2022, a development effort was initiated at the US Department of Energy’s Argonne National Laboratory (Argonne) and Oak Ridge National Laboratory (ORNL) to develop the Alloy 800H viscoplastic constitutive model so that inelastic analysis methods can support high-temperature gas-cooled reactor (HTGR) designs. The viscoplastic constitutive equations will be developed at Argonne. The ORNL effort focuses on generating test data from various high-temperature experiments with specially designed loading histories to probe Alloy 800H’s constitutive response.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Denoising diffusion algorithm for inverse design of microstructures with fine-tuned nonlinear material properties

Here we introduce a denoising diffusion algorithm to discover microstructures with nonlinear fine-tuned properties. Denoising diffusion probabilistic models are generative models that use diffusion-based dynamics to gradually denoise images and generate realistic synthetic samples. By learning the reverse of a Markov diffusion process, we design an artificial intelligence to efficiently manipulate the topology of microstructures to generate a massive number of prototypes that exhibit constitutive responses sufficiently close to designated nonlinear constitutive behaviors. To identify the subset of microcstructures with sufficiently precise fine-tuned properties, a convolutional neural network surrogate is trained to replace high-fidelity finite element simulations to filter out prototypes outside the admissible range. Results of this study indicate that the denoising diffusion process is capable of creating microstructures of fine-tuned nonlinear material properties within the latent space of the training data. More importantly, this denoising diffusion algorithm can be easily extended to incorporate additional topological and geometric modifications by introducing high-dimensional structures embedded in the latent space. Numerical experiments are conducted on the open-source mechanical MNIST data set (Lejeune, 2020). Consequently, this algorithm is not only capable of performing inverse design of nonlinear effective media, but also learns the nonlinear structure–property map to quantitatively understand the multiscale interplay among the geometry, topology, and their effective macroscopic properties.

42 ENGINEERING↗
DOE OSTI2024

Gridded RF Gun Design for SRF Linac Applications

The thermionic gridded gun is described which generates short electron bunches for further acceleration in a Nb3Sn conduction cooled SRF linac. The gun is built into the first cavity of the 250 keV injector [1] for the 20 kW, 10 MeV, 1.3 GHz CW conduction cooled one-cavity linac. The beam current is 2 mA. The RF gun design is presented as well as the results of perveance measurements, which are in a good agreement with the design parameters. The design of the RF resonator of the gun is presented also. The beam generated by the gun is matched to the injector to provide lack of current interception in the SRF cavity.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Impacts of uncertain feedstock quality on the economic feasibility of fast pyrolysis biorefineries with blended feedstocks and decentralized preprocessing sites in the Southeastern United States

Abstract This study performs techno‐economic analysis and Monte Carlo simulations (MCS) to explore the effects that variations in biomass feedstock quality have on the economic feasibility of fast pyrolysis biorefineries using decentralized preprocessing sites (i.e., depots that produce pellets). Two biomass resources in the Southeastern United States, that is, pine residues and switchgrass, were examined as feedstocks. A scenario analysis was conducted for an array of different combinations, including different pellet ash control levels, feedstock blending ratios, different biorefinery capacities, and different biorefinery on‐stream capacities, followed by a comparison with the traditional centralized system. MCS results show that, with depot preprocessing, variations in the feedstock moisture and feedstock ash content can be significantly reduced compared with a traditional centralized system. For a biorefinery operating at 100% of its designed capacity, the minimum fuel selling price (MFSP) of the decentralized system is $3.97–$4.39 per gallon gasoline equivalent (GGE) based on the mean value across all scenarios, whereas the mean MFSP for the traditional centralized system was $3.79–$4.12/GGE. To understand the potential benefits of highly flowable pellets in decreasing biorefinery downtime due to feedstock handling and plugging problems, this study also compares the MFSP of the decentralized system at 90% of its designed capacity with a traditional system at 80%. The analysis illustrates that using low ash pellets mixed with switchgrass and pine residues generates a more competitive MFSP. Specifically, for a biorefinery designed for 2,000 oven dry metric ton per day, running a blended pellet made from 75% switchgrass and 25% pine residues with 2% ash level, and operating at 90% of designed capacity could make an MFSP between $4.49 and $4.71/GGE. In contrast, a traditional centralized biorefinery operating at 80% of designed capacity marks an MFSP between $4.72 and $5.28.

09 BIOMASS FUELS↗