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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 109 records · Page 6

Designing CO 2 -Responsive Multifunctional Nanoscale Fluids with Tunable Hydrogel Behavior for Subsurface Energy Recovery

The ability to direct subsurface fluid flow or achieve a high level of control on permeability in subsurface environments necessitates the development of tunable novel subsurface fluids. These multifunctional fluids should have the potential to form hydrogels to divert flow or enhance fracture networks at elevated pressures, ability to transport proppants, undergo reversible transformations from gel-like to fluid-like in response to chemical- or pressure-based perturbations, and have improved CO 2 carrying capacity for enhancing the miscibility and flowability of oil and gas. In this paper, we discuss the development of multifunctional nanofluids constructed from silica (SiO 2 ) nanoparticles and poly(allylamine) (PAA), amine bearing polymer chains with high affinity for CO 2 . A 2-fold increase in CO 2 absorption in SiO 2 -PAA nanofluids compared to the pure polymer was noted. Upon CO 2 absorption, the weakly interacting polymeric chains around the nanoparticles formed relatively compact hydrogels. Time-resolved ultrasmall-angle X-ray scattering/small-angle X-ray scattering measurements showed the transition from swollen branched polymers to Gaussian coils with an increased exposure to CO 2 . Further, CO 2 -induced hydrogel formation in aqueous fluids bearing 1 wt % SiO 2 -PAA nanofluids occurred at room temperature, unlike in fluids bearing 1 wt % PAA. These observations point to the feasibility of forming hydrogels at lower temperatures and pressures using novel nanofluids as opposed to using the pure polymer. As a result, the ability to tune the structures and morphologies of these fluids expands the potential applications of these fluids in a wide range of subsurface environments.

03 NATURAL GAS↗

Multifunctional Metal–Oxide Nanocomposite Thin Film with Plasmonic Au Nanopillars Embedded in Magnetic La 0.67 Sr 0.33 MnO 3 Matrix

Searching for multifunctional materials with tunable magnetic and optical properties has been a critical task toward the implementation of future integrated optical devices. Vertically aligned nanocomposite (VAN) thin films provide a unique platform for multifunctional material designs. In this work, a new metal–oxide VAN has been designed with plasmonic Au nanopillars embedded in a ferromagnetic La 0.67 Sr 0.33 MnO 3 (LSMO) matrix. Such Au–LSMO nanocomposite presents intriguing plasmon resonance in the visible range and magnetic anisotropy property, which are functionalized by the Au and LSMO phase, respectively. Furthermore, the vertically aligned nanostructure of metal and dielectric oxide results in the hyperbolic property for near-field electromagnetic wave manipulation. Such optical and magnetic response could be further tailored by tuning the composition of Au and LSMO phases.

36 MATERIALS SCIENCE↗

Assembly of Metalloporphyrin Peptoids into Crystalline Nanomaterials as a Multifunctional System for Biomimetic Catalysis and Sensing

While natural enzymes excel at catalysis and sensing, they often suffer from high cost and low stability in applications outside living systems. Among tremendous efforts made toward the design and synthesis of catalytic biomimetic materials, the approach of using crystalline nanomaterials assembled from sequence-defined polymers has emerged as a promising strategy. Herein, we report the assembly of metalloporphyrin peptoids into crystalline nanomaterials as a multifunctional system for biomimetic catalysis and sensing. The precise spatial positioning of covalently attached porphyrins within crystalline peptoid nanomaterials enables the mimicry of several enzyme active sites, including phosphotriesterase and horseradish peroxidase, for efficient catalytic hydrolysis and oxidation reactions. Additionally, the high programmability of these peptoid crystalline materials enables the creation and tuning of the active site microenvironment for enhanced catalytic activity. We further demonstrate the integration of responsive organic dyes into catalytic peptoid assemblies to achieve both detection and degradation of chemical warfare agent (CWA) mimics, even in the vapor phase. In conclusion, we expect this multifunctional system to provide tremendous opportunities in biomimetic catalysis and sensing, including the detoxification and detection of CWAs.

Catalysts↗

Facile Fabrication of a Multifunctional Metal–Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules

To probe the efficient strategy for preparing a multifunctional sensing material, the facile synthesis strategies and successful examples are urgently required. Through the utilization of a hexadentate ligand derived from cyclotriphosphazene, which displays spiral configurations and multiple connection modes, a novel metal–organic framework (MOF) was constructed via one-step synthesis from low-cost raw materials. The presence of multiple interaction sites decorating the helical channels of the reported MOF gives rise to exclusive solvochromic-sensing behavior for small ketone molecules such as acetone, acetophenone, and 2,5-diketohexane. Additionally, the helical structure of a manganese-carboxylate chain allows for the pore volume not only be available for the adsorption of large organic molecules but also enables the enantiopure selective separation of 1-phenylethanol (ee 35.99 %). Furthermore, the structural analysis of the acetophenone-encapsulated sample allowed the solvochromic mechanism to be elucidated, which should be ascribed to the strong hydrogen-bonding interaction between the guest molecules and specific sites on a host matrix. The experimental results have not only clearly manifested the vital role of starting materials of MOFs, including the connection modes and spatial configuration, but also have provided very valuable insight for the future assembly of novel multifunctional sensing materials.

36 MATERIALS SCIENCE↗

Samarium-Activated La 2 Hf 2 O 7 Nanoparticles as Multifunctional Phosphors

Recent developments in the field of designing novel nanostructures with various functionalities have pushed the scientific world to design and develop high-quality nanomaterials with multifunctional applications. Here, we propose a new kind of doped metal oxide pyrochlore nanostructure for solid-state phosphor, X-ray scintillator, and optical thermometry. The developed samarium-activated La 2 Hf 2 O 7 (LHOS) nanoparticles (NPs) emit a narrow and stable red emission with lower color temperature and adequate critical distance under near-UV and X-ray excitations. When the LHOS NPs are exposed to an energetic X-ray beam, the Sm 3+ ions situated at the symmetric environment get excited along with those located at the asymmetric environment, which results in a low asymmetry ratio of Sm 3+ under radioluminescence compared to photoluminescence. High activation energy and adequate thermal sensitivity of the LHOS NPs highlight their potential as a thermal sensor. Our results indicate that these Sm 3+ -activated La 2 Hf 2 O 7 NPs can serve as a multifunctional UV, X-ray, and thermographic phosphor

36 MATERIALS SCIENCE↗

Multifunctional Polar 2D Lead Iodide Perovskites Exhibiting Persistent Spin Texture

Ferroelectric Rashba semiconductors are a rare class of multifunctional materials promising for spin–orbitronics due to the possibility of electrically switchable spin textures. Hybrid organic–inorganic metal halide perovskites offer exceptional tunability that can be harnessed to target noncentrosymmetry; however, the complex interactions between organic and inorganic components are not rationally understood. Here, we use an asymmetric spacer cation with a strong molecular dipole moment (2-fluorobenzylammonium, 2FBZ) and increase the intrinsic quantum well thickness to n > 1 to synthesize three new polar 2D lead iodide perovskites (2FBZ) 2 (A) n-1 Pb n I 3n+1 with A = methylammonium (MA) or formamidinium (FA) and n = 2, 3. Single-crystal structure analysis reveals the C 2v symmetry of these crystal structures and substantial structural distortions, which enable Rashba and Dresselhaus band splitting and persistent spin texture, confirmed by DFT calculations. Measurements of the resulting symmetry-dependent properties, such as second harmonic generation, switchable photovoltaic effect, ferroelectric polarization, and low temperature photoluminescence show switchable ferroelectric semiconducting properties. Furthermore, these results introduce a general chemical design strategy toward polar symmetry by exploiting the complex interplay between asymmetric spacer cations and A-site cations in quasi-2D (n > 1) halide perovskites to realize new classes of multifunctional materials for future spin–orbitronic applications.

Cations↗

A novel multifunctional NiTi/Ag hierarchical composite

Creating multifunctional materials is an eternal goal of mankind. As the properties of monolithic materials are necessary limited, one route to extending them is to create a composite by combining contrasting materials. The potential of this approach is neatly illustrated by the formation of nature materials where contrasting components are combined in sophisticated hierarchical designs. In this study, inspired by the hierarchical structure of the tendon, we fabricated a novel composite by subtly combining two contrasting components: NiTi shape-memory alloy and Ag. The composite exhibits simultaneously exceptional mechanical properties of high strength, good super-elasticity and high mechanical damping, and remarkable functional properties of high electric conductivity, high visibility under fluoroscopy and excellent thermal-driven ability. All of these result from the effective-synergy between the NiTi and Ag components, and place the composite in a unique position in the properties chart of all known structural-functional materials providing new opportunities for innovative electrical, mechanical and biomedical applications. Furthermore, this work may open new avenues for designing and fabricating advanced multifunctional materials by subtly combining contrasting multi-components.

ELECTRONIC DEVICES↗

Luminescent, dielectric, and ferroelectric properties of Pr doped Bi{sub 7}Ti{sub 4}NbO{sub 21} multifunctional ceramics

Pr doped Bi{sub 7}Ti{sub 4}NbO{sub 21} (BTN) multifunctional ceramics were prepared by a conventional sintering technique and their luminescent, dielectric, and ferroelectric properties were investigated. The X-ray diffraction data showed that the samples were single phase, and the scanning electron microscopy image indicated that the ceramics had flake-like grains with uniform thickness. The red emission was observed under the ultraviolet and blue light excitation at room temperature. The thermal quench of luminescence was measured and the result indicated that Pr doped BTN ceramics might be potentially applied in luminescent probes and temperature sensors. With the increasing Pr{sup 3+} content, the intensity of the photoluminescence increased initially and then decreased due to concentration quenching; The Curie temperature T{sub c} was slightly shifted to the lower temperature; the ferroelectric properties was almost unchanged by doping. As a new multifunctional material, the Pr doped BTN ceramics could be used for a wide range of application, such as integrated electro-optical devices.

36 MATERIALS SCIENCE↗

Photonic-magnonic crystals: Multifunctional periodic structures for magnonic and photonic applications

We investigate the properties of a photonic-magnonic crystal, a complex multifunctional one-dimensional structure with magnonic and photonic band gaps in the GHz and PHz frequency ranges for spin waves and light, respectively. The system consists of periodically distributed dielectric magnetic slabs of yttrium iron garnet and nonmagnetic spacers with an internal structure of alternating TiO{sub 2} and SiO{sub 2} layers which form finite-size dielectric photonic crystals. We show that the spin-wave coupling between the magnetic layers, and thus the formation of the magnonic band structure, necessitates a nonzero in-plane component of the spin-wave wave vector. A more complex structure perceived by light is evidenced by the photonic miniband structure and the transmission spectra in which we have observed transmission peaks related to the repetition of the magnetic slabs in the frequency ranges corresponding to the photonic band gaps of the TiO{sub 2}/SiO{sub 2} stack. Moreover, we show that these modes split to very high sharp (a few THz wide) subpeaks in the transmittance spectra. The proposed novel multifunctional artificial crystals can have interesting applications and be used for creating common resonant cavities for spin waves and light to enhance the mutual influence between them.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A multifunctional copper single-atom electrocatalyst aerogel for smart sensing and producing ammonia from nitrate

Despite modern chemistry’s success in providing affordable fertilizers for feeding the population and supporting the ammonia industry, ineffective nitrogen management has led to pollution of water resources and air, contributing to climate change. Here, we report a multifunctional copper single-atom electrocatalyst-based aerogel (Cu SAA) that integrates the multiscale structure of coordinated single-atomic sites and 3D channel frameworks. The Cu SAA demonstrates an impressive faradaic efficiency of 87% for NH 3 synthesis, as well as remarkable sensing performance with detection limits of 0.15 ppm for NO 3 − and 1.19 ppm for NH 4 + . These multifunctional features enable precise control and conversion of nitrate to ammonia in the catalytic process, facilitating accurate regulation of the ammonium and nitrate ratios in fertilizers. We thus designed the Cu SAA into a smart and sustainable fertilizing system (SSFS), a prototype device for on-site automatic recycling of nutrients with precisely controlled nitrate/ammonium concentrations. The SSFS represents a forward step toward sustainable nutrient/waste recycling, thus permitting efficient nitrogen utilization of crops and mitigating pollutant emissions. This contribution exemplifies how electrocatalysis and nanotechnology can be potentially leveraged to enable sustainable agriculture.

Science & Technology - Other Topics↗

A Generic and Multifunctional Electromagnetic Transient Model for Grid-Following Inverters

This paper presents a generic and multifunctional electromagnetic transient (EMT) dynamic model of grid-following (GFL) inverter-based resources (IBRs) using the PSCAD software platform. The features of the model include flexibility in selecting various types and combinations of DC sources covering photovoltaic modules, battery modules, and ideal DC-source modules as well as flexibility in selecting either switching or averaged models of the inverter. This model also covers exhaustive lists of controller algorithm, including open-loop/closed-loop PQ dispatch control, DC voltage and AC terminal voltage control, and conventional current control designed in the dq-domain, the ..alpha....beta.. -domain, and the positive-/negative-sequence domain. Moreover, this model is equipped with flexibility in selecting various types of current-limiting schemes, including saturation-based and latching-based current limiters, and anti-windup protection. Also, the EMT model is agnostic to the MVA rating and is suitable for interfacing transmission systems by complying with IEEE Std. 2800. The generality in the power circuits and the multifunctional options in the operation and control of the developed EMT model make it suitable for both academia and industry to study various power system aspects, including, but not limited to, the fault behavior of GFL IBRs, the impacts on the protection system, and the transient stability of a system interfaced with large numbers of GFL IBRs.

integrated circuit modeling↗

Multifunctional fiber-reinforced composites for passive sensing and energy harvesting with enhanced mechanical performance

Fiber-reinforced polymer composites (FRPCs) are valid alternatives to metals, especially in the aerospace industry, for their superior strength-to-weight ratio. FRPCs are generally manufactured by stacking layers of fibers and infusing them with epoxy-based adhesives to result in laminates. Such layer-by-layer structure often ensues a poor interlaminar property of the composites. Additionally, FRPCs can sustain complex damage modes because of their inherent anisotropic characteristics. For example, delamination can occur due to low-velocity impact at a subsurface level, which can result in premature catastrophic failures if undetected. Thus, structural monitoring is crucial to identify such damage. Point-based sensors (e.g., strain gauges, accelerometers, among many) can be embedded in the FRPCs for structural monitoring. However, their electrical power demand often embroils their usage. Therefore, the main objective of this research is to design and implement multifunctional composites that can simultaneously perform passive sensing and energy harvesting while exhibiting better mechanical performance. Previous research efforts have demonstrated that a continuous feed-through deposition of functional materials on fiber surfaces simultaneously enhanced the mechanical and sensing properties of the FRPCs. This study explores a similar approach to encode passive sensing and energy harvesting properties in the FRPCs by integrating ferroelectric microparticles on the fiber surfaces. Upon ensuring their superior interlaminar shear strength, sensing and energy harvesting properties were characterized through experimental studies. The outcome is a multifunctional composite fabricated by coating the fibers with functional microparticles through a high throughput, scalable, and low-cost approach that enables passive sensing, energy harvesting, and improved mechanical performance.

Gupta, Sumit↗

Multiscale modeling-enabled design of multifunctional composites

This study aims to create a comprehensive model that considers multiple scales and physics for predicting the electromechanical behavior of fiber-reinforced composites enhanced with barium titanate (BaTiO3). In our earlier work, we have demonstrated that depositing BaTiO3 microparticles of 200-nm-diameter, on fiber surfaces during fiber-reinforced composite fabrication enhances mechanical strength, passive self-sensing, and energy harvesting properties. The key is to carefully control the microparticle concentration to prevent agglomeration. Since the particles are micron-sized, understanding how agglomeration affects the composites' electromechanical properties is crucial for guiding such multifunctional materials’ design. This study introduces a micromechanics-based approach to explore the impact of microparticle dispersion on the bulk composites' electromechanical properties. Insights gained from this investigation are applied in experiments, enabling accurate predictions of mechanical and self-sensing responses in BaTiO3-enhanced fiber-reinforced composites. Micro-level findings from this computational approach can be integrated into larger continuum models to comprehensively capture the electromechanical behavior of the composite structures at bulk scale. The proposed model is validated by comparing predictions with experimental results, accounting for the nonlinear mechanical and electromechanical behaviors of constituent materials. Consequently, this computational model serves as a digital platform for efficiently designing multifunctional composites.

Gupta, Sumit↗

Multifunctionality of chiton biomineralized armor with an integrated visual system

Nature provides a multitude of examples of multifunctional structural materials. There are often trade-offs in these materials because few of them are equally well suited for multiple tasks. One such example is the biomineralized armor of the chiton Acanthopleura granulata, which incorporates an integrated sensory system that includes hundreds of eyes with aragonite-based lens. Here, we used optical experiments to demonstrate directly, for the first time, that these microscopic, mineralized lenses are able to form images. Furthermore, our experiments revealed that the optical performance of these polycrystalline lenses is enhanced by the reduction of spherical aberration through the shape of the lens and that birefringence scattering is minimized by the use of relatively large, co-aligned grains (~10 μm as compared to ~1 μm in the non-eye regions). Additionally, we used multi-scale mechanical testing techniques to show that A. granulata’s lenses are an integral component of its biomineralized armor, but that both the intrinsic and overall mechanical properties of the lenses are compromised as compared to the primary solid regions of the armor plates. Our results demonstrate that as the size, complexity, and functionality of the integrated sensory elements increases, the local mechanical performance of the armor decreases. But, A. granulata has evolved several strategies to compensate for its local mechanical vulnerabilities to form a multifunctional system with co-optimized overall optical and structural functions.

36 MATERIALS SCIENCE↗

All Solid State Batteries Enabled by Multifunctional Electrolyte Materials

Solid Power has teamed with University of California San Diego to develop a high energy, long life, low cost, and safe all-solid-state-battery (ASSB). The battery is enabled by a multifunctional solid state electrolyte (SSE). The project enables scalable production of large format solid state batteries required by the vehicle market and building domestic battery manufacturers as leaders in the global vehicle ASSB production. In the project, the multifunctional SSE materials have been developed and optimized with ionic conductivity ≥ 5 mS/cm and electrochemical stability 0 – 4.5V. SSE separator films have been coated by using a roll-to-roll process with thickness ≤ 40 µm. All-solid-state NMC-Li pouch cells containing the developed SSE have been assembled. A cycle life of > 750 at 100% DOD and 45 °C has been demonstrated in a full pouch cell.

25 ENERGY STORAGE↗

Durable and Low-Cost Fractal Structured Multifunctional Coatings for Next-Generation CSP

Fractal coatings on various low-cost and high-temperature metallic substrates such as SS316, SS347, In800H, In740H, In625, Haynes 230, etc. were fabricated employing our patented novel electrodeposition process at various deposition potentials and deposition times, as well as chemical etching. The best combination of the materials and processing conditions were co-optimized for the reliable and repeatable fabrication of the multifunctional coatings. Surface morphologies were examined using SEM and AFM, and fractal characterization was done using a 3D optical surface profiler. Fractal dimension was used to identify successful fabrication and material parameters. The mechanical durability of the coatings was evaluated using several standardized tests, such as sand abrasion (ASTM D968) and adhesion (ASTM D3359), to fully characterize and demonstrate the mechanical durability of the fabricated surfaces. HTF immersion tests on the fractal multifunctional coatings were conducted based on a modification of the ASTM D870, which is established for static water immersion testing. To calculate the corrosion rates and descaled weight loss of the samples subjected to thermal exposure for different time durations (100 h, 300 h, 500 h, and optionally 750 h) to estimate the corrosion rate. While protecting the substrates from corrosion is an important goal, an allied goals is also to examine the post-corrosion temperature stability and properties of the molten salts themselves due to the dissolution of the constituents of the alloys and the corrosion products from the coatings that cause “fouling” of the molten salts. Fouling characteristics of the different molten salt HTFs exposed to coated and uncoated substrates were investigated. Finally, considering a prototype molten salt/sCO2 heat exchanger, cost/performance model is developed to demonstrate that the coatings on low-cost alloys such as stainless steel provide lower levelized cost of heat exchanger compared to high nickel content Ha230.

14 SOLAR ENERGY↗

Multifunctional Catalysts for the Tandem Reactions of Oxygenates

Industrially-relevant catalytic reactions rarely consist of a simple sequence of elementary steps. Moreover, kinetic coupling of multiple reactions on a catalyst surface is highly desired for process intensification and improved energy efficiency for large scale chemical transformations. The shifting landscape of hydrocarbon chemical feedstocks in the US also motivates research on the selective conversion of more complex molecules. One desirable type of catalytic reaction is the reduction of carboxylic acids that are produced from biomass feedstocks to their corresponding alcohols. The proposed research explores the fundamental importance of hydrogen spillover on a multifunctional catalyst for carboxylic acid reduction with H 2 composed of metal particles coupled to metal oxide particles. Recent work has demonstrated the excellent performance of supported tungsten oxide clusters for carboxylic acid reduction, but only after they are promoted with a late transition metal such as palladium. Elucidating the active state of the catalyst and the associated reaction mechanism for acid reduction on that active state are the overall goals of the proposed project and successful completion will enable future design of efficient multifunctional catalysts. The critically important role of the metal promoter is hypothesized to be its ability to dissociate H2 and spillover atomic H to the support. Although hydrogen spillover is a well-recognized phenomenon in catalysis, its role in both catalyst activation and catalytic turnover are still unresolved. The study combined materials synthesis, characterization, reactivity testing, and molecular simulations, to explore the effect of hydrogen chemical potential on the formation of the active catalytic sites and on the steady state catalytic reduction of carboxylic acid. Varying the hydrogen chemical potential through modification of the gas conditions, support composition, and metal loading to modulated the structure and catalytic performance of the reducible metal oxide. Dual function catalysts containing supported Pd and WO x species co-located on a non-reducible carrier (silica) and a reducible carrier (titania) were synthesized and characterized by electron microscopy, temperature-programmed reduction, and chemisorption. Spectroscopic methods such as X-ray absorption and UV-vis were also used to evaluate the catalysts, which were used in the reduction of propionic acid to aldehyde and alcohol. Quantum chemical calculations, including ab initio phase diagrams provided molecular insights into the H spillover phenomenon.

09 BIOMASS FUELS↗

Development of preliminary design concept for a multifunction display and control system for the Orbiter crew station. Task 4: Design concept recommendation

Application of multifunction display and control systems to the NASA Orbiter spacecraft offers the potential for reducing crew workload and improving the presentation of system status and operational data to the crew. A design concept is presented for the application of a multifunction display and control system (MFDCS) to the Orbital Maneuvering System and Electrical Power Distribution and Control System on the Orbiter spacecraft. The MFDCS would provide the capability for automation of procedures, fault prioritization and software reconfiguration of the MFDCS data base. The MFDCS would operate as a stand-alone processor to minimize the impact on the current Orbiter software. Supervisory crew command of all current functions would be retained through the use of several operating modes in the system. Both the design concept and the processes followed in defining the concept are described.

Spiger, R. J.↗