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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Using Ionic Liquid Additive to Enhance Lubricating Performance for Low-Viscosity Engine Oil

Energy efficient lubricants are essential for sustainable transportation, and the trend is to develop and implement lower viscosity lubricants with more effective additives. Ionic liquids (ILs) have been reported as candidate additives with superior friction and wear reducing capabilities. Unlike most literature relying on bench-scale testing of simple oil–IL blends, this study produced low-viscosity (SAE 0W-12) fully formulated engine oils using a phosphonium-organophosphate IL as an antiwear additive and evaluated them in both bench-scale tribological testing and full-scale fired engine dynamometer testing. The experimental formulation containing a combination of ZDDP and IL outperformed the formulations using either ZDDP or IL alone, as well as a commercial SAE 0W-20 engine oil in terms of mitigating boundary friction, wear, and contact fatigue-induced micropitting. Furthermore, racing engine dynamometer tests demonstrated 3–4 °C lower oil temperature, 4–5 ft-lbs higher horsepower output, and up to 9.9% better fuel economy for the IL-containing SAE 0W-12 experimental oil compared with selected commercial SAE 5W-30 and 0W-20 engine oils.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Oxidative Addition of Aryl Halides to a Ni(I)-Bipyridine Complex

The oxidative addition of aryl halides to bipyridine- or phenanthroline-ligated nickel(I) is a commonly proposed step in nickel catalysis. However, there is a scarcity of complexes of this type that both are well-defined and undergo oxidative addition with aryl halides, hampering organometallic studies of this process. Here, we report the synthesis of a well-defined Ni(I) complex, [( CO 2 Et bpy)Ni I Cl] 4 . Its solution-phase speciation is characterized by a significant population of monomer and a redox equilibrium that can be perturbed by π-acceptors and σ-donors. 1 reacts readily with aryl bromides, and mechanistic studies are consistent with a pathway proceeding through an initial Ni(I) → Ni(III) oxidative addition to form a Ni(III) aryl species. Such a process was demonstrated stoichiometrically for the first time, affording a structurally characterized Ni(III) aryl complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Mechanochemical Solid Form Screening of Zeolitic Imidazolate Frameworks Using Structure-Directing Liquid Additives

We demonstrate a systematic application of the mechanochemical liquid-assisted grinding (LAG) methodology to screen for forms of zinc imidazolate (ZnIm 2 ), of fundamental importance as the simplest member of the zeolitic imidazolate framework materials family. The exploration of 45 different liquid additives, selected based on their molecular structure and physicochemical properties has resulted in eight different ZnIm 2 topological forms, appearing in 13 crystallographically distinct solid forms (including two previously unknown forms of the crb (BCT) topology), amorphous phases, and the interrupted moc-Zn 4 Im 8 HIm. All prepared topological forms were also explored computationally, using dispersion-corrected periodic density functional theory (DFT) calculations, enabling the rationalization of screening outcomes, and setting the stage for future prediction of additive-directed metal–organic framework (MOF) synthesis. This first systematic exploration of LAG in screening for three-dimensional MOFs demonstrates the potential of the liquid additive to not only accelerate materials synthesis, but also to direct it toward topologically different MOFs. The discovery of novel forms of a material that already exhibits at least 21 crystallographically and functionally different forms provides a strong testimony on the power of mechanochemistry in metal–organic materials discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Revealing particle-scale powder spreading dynamics in powder-bed-based additive manufacturing process by high-speed x-ray imaging

Powder spreading is a key step in the powder-bed-based additive manufacturing process, which determines the quality of the powder bed and, consequently, affects the quality of the manufactured part. However, powder spreading behavior under additive manufacturing condition is still not clear, largely because of the lack of particle-scale experimental study. Here, we studied particle-scale powder dynamics during the powder spreading process by using in-situ high-speed high-energy x-ray imaging. Evolution of the repose angle, slope surface speed, slope surface roughness, and the dynamics of powder clusters at the powder front were revealed and quantified. Interactions of the individual metal powders, with boundaries (substrate and container wall), were characterized, and coefficients of friction between the powders and boundaries were calculated. The effects of particle size on powder flow dynamics were revealed. Here, the particle scale powder spreading dynamics, reported here, are important for a thorough understanding of powder spreading behavior in the powder-bed-based additive manufacturing process, and are critical to the development and validation of models that can more accurately predict powder spreading behavior.

42 ENGINEERING↗
DOE OSTI2025

Investigation of MgO additives on microstructure and properties of thin LLZO electrolytes for all-solid-state batteries

To realize high-energy density lithium lanthanum zirconate (LLZO)-based solid-state batteries (SSB), LLZO electrolytes should be fabricated with low thickness and high mechanical strength. An effective strategy for strengthening ceramic materials is to use additives. Here, we employed MgO nanopowders and fibers as additives for the thin LLZO electrolyte in order to improve the mechanical strength. The microstructure, mechanical properties, and electrochemical properties are characterized to investigate the effects of adding MgO and sintering time. The MgO remains at grain boundaries after sintering, making the microstructure of LLZO fine and uniform. The mechanical strength of the MgO-added LLZO was enhanced by more than 60% while maintaining high ionic conductivity (1 × 10 -4 S cm -1 ) at room temperature. Li symmetric cells using the MgO fiber–LLZO and MgO powder–LLZO exhibit 2 and 3 times higher critical current density (CCD) than those of pure LLZO, and a solid-state full cell exhibits stable cycling performance. Further, these results demonstrate that the use of MgO nanopowder or fiber as an additive for thin LLZO is beneficial for high-current density cycling, by improving mechanical properties and microstructure.

25 ENERGY STORAGE↗
DOE OSTI2013

Influence of strontium addition on the mechanical properties of gravity cast Mg-3Al-3Sn alloy

In this study, the effect of strontium (0.01, 0.1, 0.5, 1 wt%) addition on the microstructure and mechanical properties of the gravity cast Mg-3Al-3Sn alloy were investigated. X-ray diffractometry revealed that the main phases are α−Mg, β−Mg{sub 17}Al{sub 12} and Mg{sub 2}Sn in the Mg-3Al-3Sn alloy. With addition The tensile testing results showed that the yield and ultimate tensile strength and elongation of Mg-3Al-3Sn alloy increased by adding Sr up to 0.1 wt.% and then is gradually decreased with the addition of more alloying element.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Migration of additive molecules in a polymer filament obtained by melt spinning: Influence of the fiber processing steps

The purpose of this study is to understand the influence of the yarn processing on the migration of additives molecules, especially insecticide, within polyethylene (PE) yarns. Yarns were manufactured in the laboratory focusing on three key-steps (spinning, post-stretching and heat-setting). Influence of each step on yarn properties was investigated using tensile tests, differential scanning calorimetry and wide-angle X-ray diffraction. The post-stretching step was proved to be critical in defining yarn mechanical and structural properties. Although a first orientation of polyethylene crystals was induced during spinning, the optimal orientation was only reached by post-stretching. The results also showed that the heat-setting did not significantly change these properties. The presence of additives crystals at the yarn surface was evidenced by scanning-electron microscopy. These studies performed at each yarn production step allowed a detailed analysis of the additives’ ability to migrate. It is concluded that while post-stretching decreased the migration rate, heat-setting seems to boost this migration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Study on the effect of hydrogen addition on the variation of plasma parameters of argon-oxygen magnetron glow discharge for synthesis of TiO{sub 2} films

We report the effect of hydrogen addition on plasma parameters of argon-oxygen magnetron glow discharge plasma in the synthesis of H-doped TiO{sub 2} films. The parameters of the hydrogen-added Ar/O{sub 2} plasma influence the properties and the structural phases of the deposited TiO{sub 2} film. Therefore, the variation of plasma parameters such as electron temperature (T{sub e}), electron density (n{sub e}), ion density (n{sub i}), degree of ionization of Ar and degree of dissociation of H{sub 2} as a function of hydrogen content in the discharge is studied. Langmuir probe and Optical emission spectroscopy are used to characterize the plasma. On the basis of the different reactions in the gas phase of the magnetron discharge, the variation of plasma parameters and sputtering rate are explained. It is observed that the electron and heavy ion density decline with gradual addition of hydrogen in the discharge. Hydrogen addition significantly changes the degree of ionization of Ar which influences the structural phases of the TiO{sub 2} film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Direct numerical simulation of mechanical response in synthetic additively manufactured microstructures

Additive manufacturing (AM) processes for metals can yield as-built microstructures that vary significantly from their cast or wrought counterparts. These microstructural variations can in turn, have profound effects on the properties of a component. Here, a modeling methodology is presented to investigate microstructurally-influenced mechanical response in additively manufactured structures via direct numeral simulation. Three-dimensional, synthetic voxelized microstructures are generated by kinetic Monte Carlo (kMC) additive manufacturing process simulations performed at four scan speeds to create a thin-wall cylindrical geometry notionally constructed using a concentric-pathed directed energy deposition AM process. The kMC simulations utilize a steady-state molten pool geometry that is held constant throughout the study. Resultant microstructures are mapped onto a highly-refined conformal finite-element mesh of a part geometry. A grain-scale anisotropic crystal elasticity model is then used to represent the constitutive response of each grain. Here, the response of the structure subjected to relatively simple load conditions is studied in order to provide understanding of both the influence of AM processing on microstructure as well as the microstructure's influence on the macroscale mechanical response.

42 ENGINEERING↗
DOE OSTI2022

Multi-physics modeling of grain growth during solidification in electron beam additive manufacturing of Inconel 718

While experimental work has shown promising results regarding control of additive manufacturing metal grain structure, the effects of processing parameters on the grain structure is difficult to understand and predict from experiment alone. To this end, a modeling framework is developed which sequentially couples a macro-scale, semi-analytic thermal model, and a meso-scale, cellular automata-based microstructure model. This framework is applied to electron beam additive manufacturing of Inconel 718 using a complex spot scan pattern. The model shows that, with the same scan pattern, variations in the spot time and electron-beam current produce thermal histories with significant spatial and temporal differences, which then produce complex solidification conditions from the interplay between molten pools in the same layer and subsequent layers, resulting in vastly different grain structures. Additionally, it is noted that the framework can significantly reduce the computational expenses for coupled thermal-metallurgical problems, and has the potential to be used for component level problems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Laser melting modes in metal powder bed fusion additive manufacturing

In laser powder bed fusion additive manufacturing of metals, extreme thermal conditions create many highly dynamic physical phenomena such as vaporization and recoil, Marangoni convection, and protrusion and keyhole instability. Collectively however, the full set of phenomena is too complicated for practical applications and, in reality, the melting modes are used as a guideline for printing. With increasing local material temperature beyond the boiling point, the mode can change from conduction to keyhole. These mode designations ignore laser-matter interaction details but in many cases are adequate to determine the approximate microstructures and hence the properties of the build. To date, no consistent, common, and coherent definitions have been agreed upon because of historic limitations in melt pool and vapor depression morphology measurements. Here, we distinguish process-based definitions of different melting modes from those based on postmortem evidence. The latter are mainly derived from the transverse cross-sections of the fusion zone, whereas the former come directly from time-resolved x-ray imaging of melt pool and vapor depression morphologies. These process-based definitions are more strict and physically sound, and they offer new guidelines for laser additive manufacturing practices and create new research directions. Further, we highlight the significance of the keyhole, which substantially enhances the laser energy absorption by the melt pool. Recent studies strongly suggest that stable-keyhole laser melting enables efficient, sustainable, and robust additive manufacturing. The realization of this scenario demands the development of multiphysics models, signal translations from morphology to other feasible signals, and in-process metrology across platforms and scales.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Spot pattern welding scanning strategy for sensor embedding and residual stress reduction in laser-foil-printing additive manufacturing

Here, this paper aims to present spot pattern welding (SPW) as a scanning strategy for laser-foil-printing (LFP) additive manufacturing (AM) in place of the previously used continuous pattern welding (CPW) (line-raster scanning). The SPW strategy involves generating a sequence of overlapping spot welds on the metal foil, allowing the laser to form dense and uniform weld beads. This in turn reduces thermal gradients, promotes material consolidation and helps mitigate process-related risks such as thermal cracking, porosity, keyholing and Marangoni effects. 304L stainless steel (SS) feedstock is used to fabricate test specimens using the LFP system. Imaging techniques are used to examine the melt pool dimensions and layer bonding. In addition, the parts are evaluated for residual stresses, mechanical strength and grain size. Compared to CPW, SPW provides a more reliable heating/cooling relationship that is less dependent on part geometry. The overlapping spot welds distribute heat more evenly, minimizing the risk of elevated temperatures during the AM process. In addition, the resulting dense and uniform weld beads contribute to lower residual stresses in the printed part. To the best of the authors’ knowledge, this is the first study to thoroughly investigate SPW as a scanning strategy using the LFP process. In general, SPW presents a promising strategy for securing embedded sensors into LFP parts while minimizing residual stresses.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Digital Twin Approach to Study Additive Manufacturing Processing Using Embedded Optical Fiber Sensors and Numerical Modeling

One of the major challenges for metal-powder-based additive manufacturing is measuring and mitigating residual strain induced during the manufacturing processes. This article reports distributed fiber optic sensors embedded in Inconel alloy components as experimental means to validate numerical models of additive manufacturing process. Electroplating was used to deposit a metal protective jacket onto standard telecom single-mode fibers for strain measurements, Fiber sensors were embedded in an Inconel alloy substrate using the laser engineered net shaping (LENS) process. Here by using a Rayleigh-scattering optical frequency domain reflectometer (OFDR), temperature changes, and residual strain in the metal substrate were monitored with 5 mm spatial resolution during the LENS process. Using finite element analysis, temperature and strain profiles induced by the LENS deposition processes were also numerically studied. Discrepancies between the simulated temperature and strain profiles and those measured directly were less than 10%. Results presented in this article demonstrates a digital twin approach to fuse modeling results with distributed fiber sensor measurement data to study additive manufacturing process toward design and fabrication process optimization.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Additive Manufacturing of Porous Ceramics With Foaming Agent

The macro-porous ceramics has promising durability and thermal insulation performance. As porous ceramics find more and more applications across many industries, a cost-effective and scalable additive manufacturing technique for fabricating macro-porous ceramics is highly desirable. Herein, we reported a facile additive manufacturing approach to fabricate porous ceramics and control the printed porosity. Several printable ceramic inks were prepared, and the foaming agent was added to generate gaseous bubbles in the ink, followed by the direct ink writing and the ambient-pressure and room-temperature drying to create the three-dimensional geometries. In this work, a set of experimental studies were performed to optimize the printing quality. The results revealed the optimal process parameters for printing the foamed ceramic ink with a high spatial resolution and fine surface quality. Varying the concentration of the foaming agent enables the controllability of the structural porosity. The maximum porosity can reach 85%, with a crack-free internal porous structure. The tensile tests showed that the printed macro-porous ceramics possessed enhanced durability with the addition of fiber. With a high-fidelity three-dimensional (3D) printing process and the precise controllability of the porosity, we showed that the printed samples exhibited a remarkably low thermal conductivity and durable mechanical strength.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Design and Cooling Performance of Additively Manufactured Ceramic Turbine Vanes

Ceramic materials are of significant interest in aviation and power generation gas turbine engines due to their low density and ability to withstand high temperatures. Increased cycle thermal efficiency and higher specific power output is possible by incorporating ceramic components that enable high turbine inlet temperatures and lower required cooling airflow levels. However, ceramics can be difficult and costly to form into the complex shapes used in gas turbine components, often requiring specialized multi-step processes. Furthermore, ceramic components in the hottest areas of a gas turbine, such as vanes or blade shroud seals, will still likely require cooling which is challenging to implement in conventional ceramic manufacturing approaches. Therefore, this study presents a multidisciplinary approach that investigates the design, fabrication, and overall cooling effectiveness evaluation of additively manufactured (AM), polymer derived ceramic (PDC) turbine vanes. A thermo-mechanically optimized vane design was generated, ceramic additive manufacturing of the complex cooling configuration was developed, and quantification of the increase in overall cooling effectiveness was performed in a 1X scale, high-speed facility using infrared thermography. This study produced a PDC AM process, capable of printing complex internal cooling schemes in 1X scale turbine vanes. Furthermore, it was found that the optimized vane more than doubled the overall cooling effectiveness observed in the baseline design, which reasonably agreed with thermomechanical optimization model predictions. Additionally, the optimized ceramic vane outperformed an identical metal vane, in terms of area averaged cooling effectiveness, suggesting that the ceramic vane could operate at reduced coolant flowrates to achieve comparable levels of cooling performance.

Reynolds number↗
DOE OSTI2016

Remarkable enhancement of charge carrier mobility of conjugated polymer field-effect transistors upon incorporating an ionic additive

Organic semiconductors with high charge carrier mobilities are crucial for flexible electronic applications. Apart from designing new conjugated frameworks, different strategies have been explored to increase charge carrier mobilities. We report a new and simple approach to enhancing the charge carrier mobility of DPP-thieno[3,2-b]thiophene–conjugated polymer by incorporating an ionic additive, tetramethylammonium iodide, without extra treatments into the polymer. The resulting thin films exhibit a very high hole mobility, which is higher by a factor of 24 than that of thin films without the ionic additive under the same conditions. On the basis of spectroscopic grazing incidence wide-angle x-ray scattering and atomic force microscopy studies as well as theoretical calculations, the remarkable enhancement of charge mobility upon addition of tetramethylammonium iodide is attributed primarily to an inhibition of the torsion of the alkyl side chains by the presence of the ionic species, facilitating a more ordered lamellar packing of the alkyl side chains and interchain π-π interactions.

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

Examining CO 2 as an Additive for Solid Electrolyte Interphase Formation on Silicon Anodes

In this study, we demonstrate that the addition of CO 2 to a standard 1.0 M LiPF 6 3:7 wt% ethylene carbonate:ethyl methyl carbonate electrolyte results in the formation of a thinner insoluble solid electrolyte interphase (SEI) that is dominated by the presence of LiF. In contrast, cells without CO 2 result in a thicker insoluble SEI layer containing more organic constituents. The CO 2 is incorporated in the dimethyl carbonate soluble part of the SEI composed primarily of polymeric poly(ethylene oxide) (PEO) on the surface of a thin inorganic layer. This combination of properties from CO 2 addition provides an improved cycling performance through the reduction of irreversible side reactions, leading to higher coulombic efficiency. The results indicate that CO 2 incorporates into the SEI and plays a role similar to additives like fluorinated ethylene carbonate and vinylene carbonate with respect to polymeric components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Impact of Triethanolamine as an Additive for Rechargeable Alkaline Zn/MnO 2 Batteries under Limited Depth of Discharge Conditions

Rechargeable alkaline Zn/MnO 2 batteries are being developed for use as cost-effective grid-scale energy storage devices. Previous studies have shown that limiting the depth of discharge (DOD) of the MnO 2 cathode extends cell lifetime while still providing a cost-effective battery system. Herein, a comprehensive study of triethanolamine (TEA) as an additive in Zn/MnO 2 limited DOD batteries is provided by examining the effect of TEA in full cells as well as independently on the cathode, anode, separator, and electrolyte. Improvement in cycle-ability of the cathode (on average, 80% of cycled capacity remains after 191 cycles without TEA, 568 cycles with TEA) and a decrease in ionic zinc mobility across Celgard 3501 (7.91 × 10 -5 cm 2 /min without TEA, 3.56 × 10 -5 cm 2 /min with TEA) and Cellophane 350P00 (3.26 × 10 -5 cm 2 /min without TEA, 4.74 × 10 -6 cm 2 /min with TEA) separators upon the addition of TEA are demonstrated. However, TEA increased both the reduction potential of Zn (-0.68 V vs. Hg/HgO without TEA, -0.76 V with TEA) and the solubility of Zn 2+ (0.813 M without TEA, 1.023 M with TEA). Overall, the addition of TEA extended the lifetime of limited DOD cells on average by 297%.

25 ENERGY STORAGE↗