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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 343 records · Page 19

FY22 Progress on Multicontinuum Methods in Containment

Estimation of two-phase fluid flow properties is important to understand and predict water and gas movement through the vadose zone for agricultural, hydrogeological, and engineering applications, such as containment transport and/or containment of gases in the subsurface. To estimate rock fluid flow properties and subsequently predict physically realistic processes such as patterns and timing of water, gas, and energy (e.g., heat) movement in the subsurface, laboratory spontaneous water imbibition with simultaneous temperature measurement and numerical modeling methods are presented in the FY22 progress report. A multiple-overlapping-continua conceptual model is used to explain and predict observed complex multi-phenomenological laboratory test behavior during spontaneous imbibition experiments. This report primarily addresses two complexities that arise during the experiments: 1) capturing the late-time behavior of spontaneous imbibition tests with dual porosity; and 2) understanding the thermal perturbation observed at or ahead of the imbibing wetting front, which are associated with adsorption of water in initially dry samples. We use numerical approaches to explore some of these issues, but also lay out a plan for further laboratory experimentation and modeling to best understand and leverage these unique observations.

58 GEOSCIENCES↗

Controllable Thin‐Film Approaches for Doping and Alloying Transition Metal Dichalcogenides Monolayers

Abstract Two‐dimensional (2D) transition metal dichalcogenides (TMDs) exhibit exciting properties and versatile material chemistry that are promising for device miniaturization, energy, quantum information science, and optoelectronics. Their outstanding structural stability permits the introduction of various foreign dopants that can modulate their optical and electronic properties and induce phase transitions, thereby adding new functionalities such as magnetism, ferroelectricity, and quantum states. To accelerate their technological readiness, it is essential to develop controllable synthesis and processing techniques to precisely engineer the compositions and phases of 2D TMDs. While most reviews emphasize properties and applications of doped TMDs, here, recent progress on thin‐film synthesis and processing techniques that show excellent controllability for substitutional doping of 2D TMDs are reported. These techniques are categorized into bottom–up methods that grow doped samples on substrates directly and top–down methods that use energetic sources to implant dopants into existing 2D crystals. The doped and alloyed variants from Group VI TMDs will be at the center of technical discussions, as they are expected to play essential roles in next‐generation optoelectronic applications. Theoretical backgrounds based on first principles calculations will precede the technical discussions to help the reader understand each element's likelihood of substitutional doping and the expected impact on the material properties.

36 MATERIALS SCIENCE↗

Ab initio simulations of liquid electrolytes for energy conversion and storage

Understanding physicochemical properties of liquid electrolytes is essential for predicting and optimizing device performance for a wide variety of emerging energy technologies, including photoelectrochemical water splitting, supercapacitors, and batteries. We review recent progress and open challenges in predicting structural, dynamical, and electronic properties of the liquids using first-principles approaches. We briefly summarize the basic concepts of first-principles molecular dynamics (FPMD), and we discuss how FPMD methods have enriched our understanding of a number of liquids, including aqueous solutions, organic electrolytes and ionic liquids. We also discuss technical challenges in extending FPMD simulations to the study of liquid electrolytes in more complex environments, including the interface between electrolytes and electrodes, which is a key component in many energy storage and conversion systems.

25 ENERGY STORAGE↗

Advances in Two-Dimensional Organic-Inorganic Hybrid Perovskites

Two-dimensional (2D) perovskites have attracted considerable interest for their promising applications for solar cells and other optoelectronics, such as light-emitting diodes, spintronics, and photodetectors. In this paper, we review the recent achievements of 2D perovskites for various optoelectronic applications. First, we discuss the basic structure and optoelectronic properties of 2D perovskites, including band structure, optical properties, and charge transport. We then highlight recent achievements using 2D perovskites in solar cells and beyond solar cells, including progress on various synthesis strategies and their impact on structural and optoelectronic properties. Finally, we discuss current challenges and future opportunities to further develop 2D perovskites for various applications.

14 SOLAR ENERGY↗

Metallurgical Research Relating to the Development of Metals and Alloys for Use in the High-Temperature Components of Jet-Engines, Gas Turbines and Other Aircraft Propulsion Systems

Considerable work has been done on report preparation. All items listed in the March program report will be reported during July. Fundamental studies are in progress to establish the fundamental processes by which treatments and composition control properties of commercial alloys at high temperatures. As yet work has been confined to Low-Carbon N155 alloy and progress has been reported twice previously. The work is divided into two sections: studies of solution treated and aged material and studies of rolled structures. Electron microscopic work has been started as an additional technique for the studies. Brief descriptions of experimental techniques used, results, and interpretation of the data obtained since the last report covering this field are summarized below. Since the work outlined is to a large extent still in progress, the discussion given is to be considered tentative and subject to further modification as additional data becomes available.

Source record↗

Research in planetary astronomy and operation of the 2.2-meter telescope

The turn-around in the secular change in brightness of Pluto was detected, the planet is now beginning to brighten. The spectral signature was found of an ammonia bearing compound in the surface ices of Europa. Specific Io volcanic hotspots were detected from infrared photometry of the mutual events of the Jovian satellites. The polarized emission from the volcanic hotspots on Io was discovered and the locations of those hotspots were determined. The orbit of Charon was refined from speckle observations of the Pluto-Charon system. The spectral properties of liquid nitrogen-methane mixtures with reference to the infrared spectrum of Triton were studied. Major progress was made in modeling asteroid lightcurves from a modern theory of photometric properties of the asteroid surfaces. Several additional olivine-rich asteroids from near-infrared spectrophotometry were discovered. Important photometric, spectroscopic, narrow-band imaging data on Comet P/Halley was acquired, along with Schmidt photographs of Comet P/Halley and its tail.

Hall, D. N. B.↗

Synchrotron based transient x-ray absorption spectroscopy for emerging solid-state energy materials

The rational design of cutting-edge materials for an efficient solar energy conversion process is a challenging task, which demands a fundamental understanding of the mechanisms operative during the photoinduced physical and chemical reactions. In response to these issues, progress in the field has steered attention toward the use of time-resolved spectroscopic techniques to resolve the multiple intermediate species involved in these photoinduced reactions. Thanks to the advent of pump–probe technique, which leads to the development of various time-resolved spectroscopic methods, significant progress has been made in understanding the photophysical and photochemical properties (e.g., excited state dynamics, charge transfer mechanism, charge separation dynamics, etc.) of energy materials. Synchrotron-based x-ray transient absorption (XTA) spectroscopy is one of the most important time-resolved techniques to unravel the direct correlation of the material structure with their photophysical properties owing to its unique capability in directly observing electronic and structural evolution simultaneously. As a result, the aim of this work is to provide a systematic overview of the recent progress in using XTA for capturing the structural dynamics associated with excited state and charge separation dynamics in emerging solid-state energy materials.

14 SOLAR ENERGY↗

New secondary batteries utilizing electronically conductive polymer cathodes

The objectives of this project are to characterize the transport properties in electronically conductive polymers and to assess the utility of these films as cathodes in lithium/polymer secondary batteries. During this research period, progress has been made in a literature survey of the historical background, methods of preparation, the physical and chemical properties, and potential technological applications of polythiophene. Progress has also been made in the characterization of polypyrrole flat films and fibrillar films. Cyclic voltammetry and potential step chronocoulometry were used to gain information on peak currents and potentials switching reaction rates, charge capacity, and charge retention. Battery charge/discharge studies were also performed.

Martin, Charles R.↗

IR side of bounds on theories with spontaneously broken Lorentz symmetry

In nature, some UV features of dynamics are reflected in IR quantities. In fully relativistic theories, this connection can be probed through the analyticity properties of scattering amplitudes, allowing one to understand which IR theories respect the UV assumptions of quantum field theory. The ensuing analyticity bounds can usually be rephrased as the absence of faster-than-light propagation for low-energy excitations. While it is interesting to understand these relations and their IR characterization for theories that have less idealized properties, it is also more difficult to derive analyticity bounds in these cases. For theories that spontaneously break Lorentz symmetry, recent progress was made by considering correlators of conserved currents and their analyticity properties. In this work, we focus on such theories and work to close the gap from the IR side, finding a natural way to express the known analyticity bounds purely in terms of low-energy kinematical quantities. Our analysis shows that the bounds require gapped excitations to have a slower speed than the gapless ones, at least for momenta that are low with respect to the mass gap. These results suggest a way to interpret the UV/IR connection in more complex theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Effects of Shear Strain, Fabric, and Porosity Evolution on Elastic and Mechanical Properties of Clay-Rich Fault Gouge

The elastic and mechanical properties of fault gouge are key controls on fault zone stiffness, strength, damage, healing, and sliding stability. Clay minerals are prevalent in fault zones and have significant effects on friction, porosity, elastic properties, and shear fabric development. Although clay-rich gouges are well studied, the roles of porosity evolution and fabric formation in modulating elastic and mechanical properties are unclear. We have found that with progressive shear, the role of strain localization and fabric development may compete with densification to control the evolution of friction and elastic moduli. We report on a suite of double-direct shear experiments on synthetic gouge composed of 50% Ca-montmorillonite and 50% granular quartz at a normal stress of 25 MPa. We measure the coefficient of friction, porosity, P and S wave speeds, and bulk and shear moduli, and their evolution with shearing, to shear strains up to ~25. We find that the evolution of Vp, Vs, and elastic moduli are controlled by the interplay of porosity loss, shear fabric development, and particle contact stiffness. In general, V p , V s , and elastic moduli increase with shear strain and are accompanied by gradual densification and porosity loss. However, at intermediate shear strains (~2–8) a decrease in V p , V s , and elastic moduli is superimposed on this overall trend. Based on previous microstructural studies, we hypothesize that fabrics develop parallel to shear direction (perpendicular to wave propagation) over this range of strains, leading to reduced fault stiffness and competing with porosity loss as the dominant control on elastic properties.

58 GEOSCIENCES↗

Structure and properties of visible-light absorbing homodisperse nanoparticle

Broadly, the scientific progress from this award focused in two main areas: developing time-resolved X-ray diffraction methods and the synthesis and characterization of molecular systems relevant to solar energy harvesting. The knowledge of photo–induced non–equilibrium states is central to our understanding of processes involved in solar–energy capture. More specifically, knowledge of the geometry changes on excitation and their relation to lifetimes and variation with adsorption of chromophores on the substrates is of importance for the design of molecular devices used in light capture.

14 SOLAR ENERGY↗

Assessment of Bulk Absorber Properties for Multi-Layer Perforates in Porous Honeycomb Liners

CONTINUING progress in materials technology provides potential for improved acoustic liners for attenuating broadband fan noise emissions from aircraft engine nacelles. Conventional liners (local-reacting perforate-over-honeycomb structures) provide significant narrow-band attenuation, but limited attenuation over wide bandwidths. Two approaches for increasing attenuation bandwidth are to (1) replace the honeycomb structure with bulk material, or (2) cascade multiple layers of perforate/honeycomb structures. Usage of the first approach is limited because of mechanical and maintenance reasons, while multi-layer liners are limited to about three layers because of their additional mechanical complexity, depth and weight. The current research concerns a novel approach reported by the University of Cincinnati, in which a single-layer conventional liner is converted into an extended-reaction, broadband absorber by making the honeycomb core structure porous. This modified single-layer liner requires no increase in depth and weight, and minimal increase in mechanical complexity. Langley has initiated research to identify potential benefits of liner structures with porous cell walls. This research has two complementary goals: (1) develop and validate experimental techniques for treating multi-layer perforates (representative of the internal cells of a liner with porous cell walls) as 1-D bulk materials, and (2) develop analytical approaches to validate this bulk material assumption. If successful, the resultant model can then be used to design optimized porous honeycomb liners. The feasibility of treating an N-layer perforate system (N porous plates separated by uniform air gaps) as a one-dimensional bulk absorber is assessed using the Two-Thickness Method (TTM), which is commonly used to educe bulk material intrinsic acoustic parameters. Tests are conducted with discrete tone and random noise sources, over an SPL range sufficient to determine the nonlinearity of the test specimens, for test specimens consisting of 5, 10 and 15% porous plates. Measured impedances for two liner thicknesses (e.g., 12 and 24 layers) are used as input to the TTM to determine the characteristic impedance and propagation constant that characterize these liners as bulk absorbers. These parameters are then used to calculate the predicted impedance of liners with different thicknesses (e.g., 36 layers), and a comparison of predicted and measured impedances for these other thicknesses is used to determine the efficacy of this approach. Finally, an independent method is used to educe the propagation constant for a single representative sample, and excellent comparison between the results for this method and those for the TTM provides increased confidence in the results achieved with the TTM. In general, the results demonstrate these multi-layer perforates can be acceptably treated as bulk absorbers.

Jones, Michael G.↗