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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 1,801 records · Page 100

Large language model-driven database for thermoelectric materials

Thermoelectric materials have the ability to convert waste heat into electricity, offering a valuable solution for energy harvesting. However, their widespread use is hindered by low conversion efficiency, the reliance on expensive rare earth elements, and the environmental and regulatory concerns associated with lead-based materials. A fast and cost-effective way to identify highly efficient thermoelectric materials is through data-driven methods. These approaches rely on robust and comprehensive datasets to train models. Although there are several databases on thermoelectric materials, there is still a need to collect and integrate experimental data from peer-reviewed research articles to capture diverse compositions and properties of materials. Here, in this work, we developed a comprehensive database of 7,123 thermoelectric compounds, containing key information such as chemical composition, structural detail, seebeck coefficient, electrical and thermal conductivity, power factor, and figure of merit (ZT). We used the GPTArticleExtractor workflow, powered by large language models (LLM), to extract and curate data automatically from the scientific literature published in Elsevier journals. This process enabled the creation of a structured database that addresses the challenges of manual data collection. The open access database could stimulate data-driven research and advance thermoelectric material analysis and discovery.

Database↗

Multivariable degradation modeling and life prediction using multivariate fractional Brownian motion

In system prognostics and health management, multivariable degradation models have been widely developed to predict the life of complex systems using degradation data of multiple Performance Characteristics (PCs). Recent studies have detected a Long-Term Memory (LTM) effect among the degradation process of various PCs, implying a strong coupling phenomenon between the future degradation behavior and historical degradation trajectory. Although the LTM has been widely integrated into single-PC-based degradation modeling, it has not been considered in multi-PC-based scenarios. To capture LTM among multiple PCs, this article proposes a novel LTM-integrated Multivariate Degradation Model (MDM) for system life prediction based on multivariate fractional Brownian motion, which simultaneously incorporates the cross-correlation among different PCs. To estimate parameters of the LTM-integrated MDM, a maximum likelihood method is developed. Here, two likelihood-ratio hypothesis tests are developed to test the existence of the overall and individual LTM effect among multiple PCs. Both simulation studies and physical experiments on the performance degradation of solar energy conversion and storage devices are conducted to validate the proposed model. Results reveal that the proposed LTM-integrated MDM significantly outperforms existing MDMs in life prediction, while the lifetime uncertainty is heavily underestimated by those traditional approaches that neglect the LTM.

42 ENGINEERING↗

Surface oxygen exchange kinetics of mixed conducting oxides: Dilatometric vs electrical conductivity relaxation study

The surface oxygen exchange kinetics of mixed ionic-electronic conducting (MIEC) oxides play a crucial role in a variety of applications, including solid oxide fuel/electrolysis cells (SOFCs/SOECs), permeation membranes and sensors. To date, a variety of methods, including isotope exchange, electrical conductivity, optical absorptivity and thermogravimetry relaxation, and impedance spectroscopy have been used to measure the oxygen exchange coefficient of MIEC oxides. Each of these methods have their advantages and limitations, depending on the physical and chemical properties of the investigated materials and their sample dimensions and densities. Here, we demonstrate the ability to precisely measure the surface oxygen exchange coefficient (k chem ) of MIEC model material Pr 0.1 Ce 0.9 O 2-δ (PCO) by use of dilatometric relaxation measurements, particularly of interest for materials that exhibit larger chemical expansion coefficients. This is achieved by use of porous bulk specimens to ensure that the contribution of oxygen exchange to the overall kinetics is dominant. We demonstrate that k chem values extracted from chemical expansion relaxation measurements on PCO are nearly identical to those derived from electrical conductivity relaxation measurements. As a result, this provides the opportunity to precisely investigate the oxygen exchange and chemical expansion kinetics of a wide range of materials used in high-temperature applications, particularly where more conventional methods are difficult or inappropriate to apply.

(Pr,Ce)O2-x↗

The Role of Spin–Orbit Coupling in the Linear Absorption Spectrum and Intersystem Crossing Rate Coefficients of Ruthenium Polypyridyl Dyes

The successful use of molecular dyes for solar energy conversion requires efficient charge injection, which in turn requires the formation of states with sufficiently long lifetimes (e.g., triplets). The molecular structure elements that confer this property can be found empirically, however computational predictions using ab initio electronic structure methods are invaluable to identify structure-property relations for dye sensitizers. The primary challenge for simulations to elucidate the electronic and nuclear origins of these properties is a spin-orbit interaction which drives transitions between electronic states. Here, in this work, we present a computational analysis of the spin-orbit corrected linear absorption cross sections and intersystem crossing rate coefficients for a derivative set of phosphonated tris(2,2'-bipyridine)ruthenium(2+) dye molecules. After sampling the ground state vibrational distributions, the predicted linear absorption cross sections indicate that the mixture between singlet and triplet states plays a crucial role in defining the line shape of the metal-to-ligand charge transfer bands in these derivatives. Additionally, an analysis of the intersystem crossing rate coefficients suggests that transitions from the singlet into the triplet manifolds are ultrafast with rate coefficients on the order of 10 13 s -1 for each dye molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Probing Interactions between Adsorbed Polymers and γ-Al 2 O 3 Using Solid-State NMR

The interactions between polymers and metal oxide surfaces affect the physical properties of polymer composites and the selectivity of catalysts used for plastic conversion. Gauging the strengths of these interactions and how they depend on adsorption conformations and polymer structure is nevertheless quite challenging. Herein, we evaluate whether a recently introduced dynamic nuclear polarization-based surface-to-atom distance measurement method can be used to gauge the specific interactions between five vinyl polymers and an oxide support (alumina). The adsorption conformations of polymer monolayers were studied using site-specific 13 C{ 27 Al} rotational-echo saturation-pulse double-resonance (RESPDOR) experiments. The method is effective in revealing the average distance between the adsorbed polymer and the surface, as well as the fraction of the monomers that are adsorbed. Polymers that possess larger side chains are more weakly adsorbed, as evidenced by their formation of more numerous loop and tail structures. In conclusion, the measured RESPDOR dephasing data further reveals that polymer adsorption conformations are largely disordered and involve few hydrogen bonding interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chapter 2: Blade-Resolved Modeling with Fluid-Structure Interaction

Blade -resolved simulations are a high-fidelity modeling tool that helps understand the fundamental flow physics that create loads on wind turbines. Along with fluid - structure interaction (FSI), they provide a foundation to improve the state-of-the-art aerodynamic models of modern wind turbines with large flexible blades and thus the design of the next generation of wind turbines. One of the most important parts of wind-turbine simulation is modeling the conversion of kinetic energy in the wind into mechanical energy using principles of aerodynamics. The hierarchies of aerodynamic models for wind turbines in increasing the order of complexity, cost, and fidelity are blade element momentum (BEM) theory (BEMT), vortex methods, actuator disc/line methods, and blade -resolved modeling.

17 WIND ENERGY↗

Feed-Forward Compensation for Model Predictive Control in Tri-port Current-Source Medium-Voltage String Inverters for PV-Plus-Storage Farms

The novel tri-port current-source medium-voltage string inverter (TCS-MVSI) is a promising candidate for large-scale PV-plus-storage (PVS) farms owing to its galvanic isolation, easy storage integration, soft-switching capability across entire load range, controlled low dv/dt and EMI, benign fault tolerance, etc. Due to its low inertia feature, traditional PI-based control cannot manage large transients effectively. Instead, a model-based predictive control (MPC) is proposed to achieve robust and stable operation. As is well known, the control performance of MPC is compromised by the sampling and computational delay during implementation significantly, if not well addressed. This paper analyzed and quantified these delays and then proposes feed-forward compensation (FFC) for the MPC method to compensate the delays and the large parameter variations due to the low-inertia nature. In addition, this method also compensates for the high dc-link ripple within each switching cycle, a unique issue for low-inertia converters. Here, the proposed method requires low computational effort, allowing it to be extended for multiple ports. The effectiveness of the proposed method has been validated in experiments. In 10 kW test, the proposed method decreases the average dc-link current by 17%, leading to ~20% conduction losses and ~0.5% increase in converter efficiency. In addition, the peak dc-link current also decreases by 15%, resulting in reduced transformer size. As a result, an increased power density can be achieved with the proposed method. Similar improvements have been observed across the power range from 2 kW to 10 kW.

30 DIRECT ENERGY CONVERSION↗

The direct-current response of electrically conducting fractures excited by a grounded current source

Hydraulic fracture stimulation of low permeability reservoir rocks is an established and cross–cutting technology for enhancing hydrocarbon production in sedimentary formations and increasing heat exchange in crystalline geothermal systems. Whereas the primary measure of success is the ability to keep the newly generated fractures sufficiently open, long–term reservoir management requires a knowledge of the spatial extent, morphology, and distribution of the fractures — knowledge primarily informed by microseismic and ground deformation monitoring. To minimize the uncertainty associated with interpreting such data, we investigate through numerical simulation the usefulness of direct-current (DC) resistivity data for characterizing subsurface fractures with elevated electrical conductivity by considering a geophysical experiment consisting of a grounded current source deployed in a steel cased borehole. In doing so, the casing efficiently energizes the fractures with steady current. Finite element simulations of this experiment for a horizontal well intersecting a small set of vertical fractures indicate that the fractures manifest electrically in (at least) two ways: (1) a local perturbation in electric potential proximal to the fracture set, with limited farfield expression and (2) an overall reduction in the electric potential along the borehole casing due to enhanced current flow through the fractures into the surrounding formation. The change in casing potential results in a measurable effect that can be observed far from fractures themselves. Under these conditions, our results suggest that farfield, timelapse measurements of DC potentials can be interpreted by simple, linear inversion for a Coulomb charge distribution along the borehole path, including a local charge perturbation due to the fractures. As a result, this approach offers an inexpensive method for detecting and monitoring the time-evolution of electrically conducting fractures while ultimately providing an estimate of their effective conductivity — the latter providing an important measure independent of seismic methods on fracture shape, size, and hydraulic connectivity.

30 DIRECT ENERGY CONVERSION↗

Understanding Water and Thermal Management in Polymer-Electrolyte Fuel Cells

The Parties developed understanding of water and thermal management in fuel cells using a detailed 1-D model for the through-plane direction, a gas-channel relation model for the flow-channel direction, and a method to account for the rib/channel direction. The model simulates and predicts the water transport phenomena occurring within the fuel-cell sandwich, including the complex interplay among the various phases. This model enables optimum designs, operating conditions, and material properties for use in commercial PEFCs for automotive applications. In addition, novel advanced diagnostic methods and submodels were developed to determine the critical properties and model parameters and explore specific phenomena (e.g., ionomer thin films).

30 DIRECT ENERGY CONVERSION↗

Roll-to-Roll Advanced Materials Manufacturing DOE Laboratory Collaboration (FY2019 Final Report)

R2R processing is used to manufacture a wide range of products for various applications which span many industrial business sectors. The overall R2R methodology has been in use for decades and this continuous technique traditionally involves deposition of material(s) onto moving webs, carriers or other continuous belt-fed or conveyor-based processes that enable successive steps to build a final version which serves to support the deposited materials. Established methods that typify R2R include tape casting, silk-screen printing, reel-to-reel vacuum deposition/coating and R2R lithography. Products supported by R2R manufacturing include micro-electronics, electro-chromic window films, PVs, fuel cells for energy conversion, battery electrodes for energy storage, and barrier and membrane materials. Due to innovation in materials and process equipment, high-quality yet very low-cost multilayer technologies have the potential to be manufactured on a very cost-competitive basis. To move energy-related products from high-cost niche applications to the commercial sector, a means must be available to enable manufacture of these products in a cost-competitive manner that is affordable. Fortunately, products such as fuel cells, thin- and mid-film PVs, batteries, electrochromic and piezoelectric films, water separation membranes, and other energy saving technologies readily lend themselves to manufacture using R2R approaches. However, more early-stage research is needed to solve the challenge of linking the materials (particles, polymers, solvents, additives) used in ink and slurry formulations, though the ink processing, coating and drying processes, to the ultimate performance of the final R2R product, especially for a process that uses multiple layers of deposition to achieve the end product.

42 ENGINEERING↗

Scalable Deposition of NiOxas a Hole Transport Layer for Perovskite Solar Cells on PET Substrates

Transition from laboratory scale fabrication to large scale perovskite fabrication processes remains a challenge. Upscaling perovskite fabrication requires the development of deposition methods that yield uniform charge transport layers at scale. By optimizing ink composition, we have developed a doped nickel oxide hole transport material for uniform large area deposition on a roll-to-roll system with a peak power conversion efficiency of 11.2%.

Armstrong, Peter↗

Plating methods, a survey

Results are presented of a comprehensive search of the literature available, much of which has been generated by the research centers of NASA and its contractors, on plating and coating methods and techniques. Methods covered included: (1) electroplating from aqueous solutions; (2) electroplating from nonaqueous solutions; (3) electroplating from fused-salt baths; (4) electroforming; (5) electroless plating, immersion plating, and mirroring; (6) electroplating from gaseous plasmas; and (7) anodized films and conversion coatings.

Berkowitz, J. B.↗

Synthetic carbohydrate: An aid to nutrition in the future

The synthetic production of carbohydrate on a large scale is discussed. Three possible nonagricultural methods of making starch are presented in detail and discussed. The simplest of these, the hydrolysis of cellulose wastes to glucose followed by polymerization to starch, appears a reasonable and economic supplement to agriculture at the present time. The conversion of fossil fuels to starch was found to be not competitive with agriculture at the present time, but tractable enough to allow a reasonable plant design to be made. A reconstruction of the photosynthetic process using isolated enzyme systems proved technically much more difficult than either of the other two processes. Particular difficulties relate to the replacement of expensive energy carrying compounds, separation of similar materials, and processing of large reactant volumes. Problem areas were pinpointed, and technological progress necessary to permit such a system to become practical is described.

Berman, G. A.↗

An analysis of space environment effects on performance and missions of a Solar Electric Propulsion Stage (SEPS)

The development of an analysis which addresses the problems of degrading space environmental effects on the performance and missions of a Solar Electric Propulsion Stage (SEPS) is reported. A detailed study concerning the degrading effects of the Van Allen Belt charged-particle radiation on specific spacecraft subsystems is included, along with some of the thermal problems caused by electromagnetic radiation from the sun. The analytical methods used require the integration of two distinct analyses. The first, is a low-thrust trajectory analysis which uses analytical approximations to optimum steering for orbit raising, including three-dimensional plane change cases. The second is the conversion of the Vette time-averaged differential energy spectra for protons and electrons into a 1-MeV electron equivalent environment as a function of spatial position and thickness of various shielding materials and solar-cell cover slides.

Mcglathery, D. M.↗

Modeling of a solar-pumped iodine laser

The direct conversion in space of solar radiation into laser radiation for power transmission to earth, satellites, or deep space probes shows promise as a reasonably simple technology and may have cost advantage in deployment and greater reliability compared to other methods of space power generation and transmission. The main candidates for solar pumping are the gas dynamic, photochemical, and direct photoexcited lasers. Here consideration is given to the photochemical reaction of alkyliodides which predominantly excite the I(2P1/2) state which then lases at 1.315 microns. The iodine ground state is eventually lost to reconstituting the gas or in the formation of molecular iodine. The rates at which the gas is required to be recycled through the laser system are modest. The side exposure at 100-fold solar concentration of a 100-m long tube with a 1 sq m cross section is estimated to provide 20 kW of continuous laser output. Scaling laws and optimum operating conditions of this system are discussed.

Wilson, J. W.↗

The effects of AVIRIS atmospheric calibration methodology on identification and quantitative mapping of surface mineralogy, Drum Mountains, Utah

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures reflected light in 224 contiguous spectra bands in the 0.4 to 2.45 micron region of the electromagnetic spectrum. Numerous studies have used these data for mineralogic identification and mapping based on the presence of diagnostic spectral features. Quantitative mapping requires conversion of the AVIRIS data to physical units (usually reflectance) so that analysis results can be compared and validated with field and laboratory measurements. This study evaluated two different AVIRIS calibration techniques to ground reflectance: an empirically-based method and an atmospheric model based method to determine their effects on quantitative scientific analyses. Expert system analysis and linear spectral unmixing were applied to both calibrated data sets to determine the effect of the calibration on the mineral identification and quantitative mapping results. Comparison of the image-map results and image reflectance spectra indicate that the model-based calibrated data can be used with automated mapping techniques to produce accurate maps showing the spatial distribution and abundance of surface mineralogy. This has positive implications for future operational mapping using AVIRIS or similar imaging spectrometer data sets without requiring a priori knowledge.

Kruse, Fred A.↗

Thin-Film Selective Emitter

Direct conversion of thermal energy into electrical energy using a photovoltaic cell is called thermophotovoltaic energy conversion. One way to make this an efficient process is to have the thermal energy source be an efficient selective emitter of radiation. The emission must be near the band-gap energy of the photovoltaic cell. One possible method to achieve an efficient selective emitter is the use of a thin film of rare-earth oxides. The determination of the efficiency of such an emitter requires analysis of the spectral emittance of the thin film including scattering and reflectance at the vacuum-film and film-substrate interfaces. Emitter efficiencies (power emitted in emission band/total emitted power) in the range 0.35-0.7 are predicted. There is an optimum optical depth to obtain maximum efficiency. High emitter efficiencies are attained only for low (less than 0.05) substrate emittance values, both with and without scattering. The low substrate emittance required for high efficiency limits the choice of substrate materials to highly reflective metals or high-transmission materials such as sapphire.

Chubb, Donald L.↗

Developing CORBA-Based Distributed Scientific Applications from Legacy Fortran Programs

Recent progress in distributed object technology has enabled software applications to be developed and deployed easily such that objects or components can work together across the boundaries of the network, different operating systems, and different languages. A distributed object is not necessarily a complete application but rather a reusable, self-contained piece of software that co-operates with other objects in a plug-and-play fashion via a well-defined interface. The Common Object Request Broker Architecture (CORBA), a middleware standard defined by the Object Management Group (OMG), uses the Interface Definition Language (IDL) to specify such an interface for transparent communication between distributed objects. Since IDL can be mapped to any programming language, such as C++, Java, Smalltalk, etc., existing applications can be integrated into a new application and hence the tasks of code re-writing and software maintenance can be reduced. Many scientific applications in aerodynamics and solid mechanics are written in Fortran. Refitting these legacy Fortran codes with CORBA objects can increase the codes reusability. For example, scientists could link their scientific applications to vintage Fortran programs such as Partial Differential Equation(PDE) solvers in a plug-and-play fashion. Unfortunately, CORBA IDL to Fortran mapping has not been proposed and there seems to be no direct method of generating CORBA objects from Fortran without having to resort to manually writing C/C++ wrappers. In this paper, we present an efficient methodology to integrate Fortran legacy programs into a distributed object framework. Issues and strategies regarding the conversion and decomposition of Fortran codes into CORBA objects are discussed. The following diagram shows the conversion and decomposition mechanism we proposed. Our goal is to keep the Fortran codes unmodified. The conversion- aided tool takes the Fortran application program as input and helps programmers generate C/C++ header file and IDL file for wrapping the Fortran code. Programmers need to determine by themselves how to decompose the legacy application into several reusable components based on the cohesion and coupling factors among the functions and subroutines. However, programming effort still can be greatly reduced because function headings and types have been converted to C++ and IDL styles. Most Fortran applications use the COMMON block to facilitate the transfer of large amount of variables among several functions. The COMMON block plays the similar role of global variables used in C. In the CORBA-compliant programming environment, global variables can not be used to pass values between objects. One approach to dealing with this problem is to put the COMMON variables into the parameter list. We do not adopt this approach because it requires modification of the Fortran source code which violates our design consideration. Our approach is to extract the COMMON blocks and convert them into a structure-typed attribute in C++. Through attributes, each component can initialize the variables and return the computation result back to the client. We have tested successfully the proposed conversion methodology based on the f2c converter. Since f2c only translates Fortran to C, we still needed to edit the converted code to meet the C++ and IDL syntax. For example, C++/IDL requires a tag in the structure type, while C does not. In this paper, we identify the necessary changes to the f2c converter in order to directly generate the C++ header and the IDL file. Our future work is to add GUI interface to ease the decomposition task by simply dragging and dropping icons.

Sang, Janche↗

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