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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Enhanced rare earth element recovery with cross-linked glutaraldehyde-lanthanide binding peptides in foam-based separations

Lanthanide Binding Tag (LBT) peptides that coordinate selectively with lanthanide ions can be used to replace the energy intensive processes used for the separation of rare earth elements (REEs). These surface-active biomolecules, once selectively complexed with the trivalent REE cations, can adsorb to air/aqueous interfaces of bubbles for foam-based REEs recovery. Glutaraldehyde, an organic compound that is a homobifunctional crosslinker for proteins and peptides, can be used to enhance the adsorption and interfacial stabilization of lanthanide-bound peptides films. The stability of the interfacial cross-linked films was tested by measuring their dilational and shear surface rheological properties. Surface activity of the adsorbed species was analyzed using pendant drop tensiometry, while surface density and molecular arrangement were determined using x-ray reflectivity and x-ray fluorescence near total reflection. Glutaraldehyde cross-linked REE-peptide complexes enhance the adsorption of lanthanides to air-water interfaces, resulting in thicker interfacial structures. Subsequently, these thicker layers enhance the dilational and shear interfacial rheological properties. The interfacial film stabilization and REEs extraction promoted by the cross-linker presented in this work provides an approach to integrate glutaraldehyde as a substitute of common foam stabilizers such as polymers, surfactants, and particles to optimize the recovery of REEs when using biomolecules as extractants.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anode Potential Evolution During Zinc Metal Plating and Stripping in Dual-Solvent Battery Electrolytes

In the field of battery electrolyte research, the importance of the working cation solvation environment has become increasingly more apparent. To optimize bulk properties and, especially, interfacial reactions, multisolvent electrolytes (electrolytes containing two different solvents) have become more prevalent in battery research and development. In this work, we elucidate the relationship between cation solvation and interfacial electrochemistry, demonstrating that preferential solvation of Zn 2+ by a strong coordinating solvent such as 2-methoxyethylamine or ethylenediamine as opposed to a weaker solvent such as 3-methylsulfolane or acetonitrile leads to dynamic evolution in the interfacial energetics during Zn plating and stripping due to local changes in solvent composition and coordination. In some instances, interfacial solvation evolution can shift the reversible potential of Zn plating by as much as 1 V under relatively mild rate conditions. Through these investigations, we establish the generality of this phenomenon, highlight its importance as a consideration in dual-solvent battery electrolytes, and provide direction for tailoring electrochemistry through solvent design.

Hahn, Nathan T.↗
DOE OSTI2024

Integrated electro- and chemical characterization of sulfide-based solid-state electrolytes

Sulfide solid-state electrolytes (SSEs) represent a critical advancement towards enabling next-generation lithium metal batteries. However, a profound knowledge gap remains in understanding the structure–property relationships inherent to these sulfide SSEs. Electrochemical assessment and spectroscopic tools, such as Raman spectroscopy, offer bench-top ready, non-invasive, powerful avenues for operando and in situ analyses. Despite this potential, the integration of these methodologies, particularly for real-time interrogation, is markedly under-investigated. This review endeavors to catalog the use of diverse electrochemical techniques and spectroscopic tools in elucidating the structural and functional nuances of sulfide SSEs. Through the harmonization of these multifaceted evaluation strategies, our objective is to chart a course towards optimized sulfide SSEs, thereby aiding in the development of informed protocols for a deeper comprehension and understanding of the structure–property relationship and interfacial engineered design of solid-state batteries using sulfide-based SSEs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of Soluble Corrosion Products on Electrical Double Layer in LiCl-KCl Molten Salts

Corrosion in molten salts greatly hampers the application for renewable energy applications like molten salt reactors. To develop effective strategies for corrosion mitigation, understanding the interfacial structures and properties such as specific ion adsorption and electrical double layer capacitance are crucial. Using cyclic voltammetry and electrochemical impedance spectroscopy, we systematically studied the interfaces on various model electrodes including W (solid), Bi (liquid), and the stainless steel 316 in LiCl-KCl eutectic molten salts with the addition of corrosion species CrCl 2 and FeCl 2 . Both Cr 2+ and Fe 2+ ions increased electrical double layer capacitance, with Cr 2+ showing specific adsorption behavior and shifting the potential of zero charge, while Fe 2+ had minimal effect on point of zero charge. Two-working electrode measurements revealed increasing open-circuit potential and electrical double layer capacitance during the exposure of stainless steel 316, indicating its progressive corrosion and ion accumulation at the interface. X-ray photoelectron spectroscopy and Raman confirmed Cr enrichment at the interface. This work highlights the strong correlation between electrical double layer behavior and corrosion dynamics in molten salts and suggests electrical double layer capacitance as a sensitive, in situ indicator for corrosion monitoring.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1992

Unsteady Thermocapillary Migration of Isolated Drops in Creeping Flow

The problem of an isolated immiscible drop that slowly migrates due to unsteady thermocapillary stresses is considered. All physical properties except for interfacial tension are assumed constant for the two Newtonian fluids. Explicit expressions are found for the migration rate and stream functions in the Laplace domain. The resulting microgravity theory is useful, e.g., in predicting the distance a drop will migrate due to an impulsive interfacial temperature gradient as well as the time required to attain steady flow conditions from an initially resting state.

Dill, Loren H.↗
NASA NTRS1991

Rubber-toughened cyanate composites - Properties and toughening mechanism

Earlier work by Young et al. (1990) has shown that Dow experimental cyanate ester resin XU71787.02 is readily toughenable by rubber. A particularly effective rubber for this purpose is an experimental core-shell rubber which toughens the polymer by inducing shear yielding. This paper describes an investigation into the toughening mechanism in the corresponding carbon-fiber composite systems and the effect of fibers on composite properties. Resin-fiber interfacial shear strengths have been successfully correlated to the compressive strengths after impact and other key properties of composites based on rubber-toughened cyanate and several carbon fibers. The differences in the properties are explained by the difference in the functioning of the rubber particles during the fracture process.

Yang, P. C.↗
NASA NTRS2008

Magnetic Property Measurements on Single Wall Carbon Nanotube-Polyimide Composites

Temperature and magnetic field dependent magnetization measurements were performed on polyimide nanocomposite samples, synthesized with various weight percentages of single wall carbon nanotubes. It was found that the magnetization of the composite, normalized to the mass of nanotube material in the sample, decreased with increasing weight percentage of nanotubes. It is possible that the interfacial coupling between the carbon nanotube (CNT) fillers and the polyimide matrix promotes the diamagnetic response from CNTs and reduces the total magnetization of the composite. The coercivity of the samples, believed to originate from the residual magnetic catalyst particles, was enhanced and had a stronger temperature dependence as a result of the composite synthesis. These changes in magnetic properties can form the basis of a new approach to investigate the interfacial properties in the CNT nanocomposites through magnetic property measurements.

Sun, Keun J.↗
DOE OSTI2024

Uncovering an Interfacial Band Resulting from Orbital Hybridization in Nickelate Heterostructures

The interaction of atomic orbitals at the interface of perovskite oxide heterostructures has been investigated for its profound impact on the band structures and electronic properties, giving rise to unique electronic states and a variety of tunable functionalities. In this study, we conducted an extensive investigation of the optical and electronic properties of epitaxial NdNiO 3 thin films grown on a series of single crystal substrates. Unlike films synthesized on other substrates, NdNiO 3 on SrTiO 3 (NNO/STO) gives rise to a unique band structure which features an additional unoccupied band situated above the Fermi level. Our comprehensive investigation, which incorporated a wide array of experimental techniques and density functional theory calculations, revealed that the emergence of the interfacial band structure is primarily driven by the orbital hybridization between Ti 3d orbitals of the STO substrate and O 2p orbitals of the NNO thin film. Furthermore, exciton peaks have been detected in the optical spectra of the NNO/STO film, attributable to the pronounced electron-electron (e-e) and electron-hole (e-h) interactions propagating from the STO substrate into the NNO film. Further, these findings underscore the substantial influence of interfacial orbital hybridization on the electronic structure of oxide thin-films, thereby offering key insights into tuning their interfacial properties.

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

Simulation insights into wetting properties of hydrogen-brine-clay for hydrogen geo-storage

Hydrogen geo-storage is attracting substantial interdisciplinary interest as a cost-effective and sustainable option for medium- and long-term storage. Hydrogen can be stored underground in diverse formations, including aquifers, salt caverns, and depleted oil and gas reservoirs. The wetting dynamics of the hydrogen-brine-rock system are critical for assessing both structural and residual storage capacities, and ensuring containment safety. Through molecular dynamics simulations, we explore how varying concentrations of cushion gases (CO 2 or CH 4 ) influence the wetting properties of hydrogen-brine-clay systems under geological conditions (15 MPa and 333 K). We employed models of talc and the hydroxylated basal face of kaolinite (kaoOH) as clay substrates. Our findings reveal that the effect of cushion gases on hydrogen-brine-clay wettability is strongly dependent on the clay-brine interactions. Notably, CO 2 and CH 4 reduce the water wettability of talc in hydrogen-brine-talc systems, while exerting no influence on the wettability of hydrogen-brine-kaoOH systems. Detailed analysis of free energy of cavity formation near clay surfaces, clay-brine interfacial tensions, and the Willard-Chandler surface for gas-brine interfaces elucidate the molecular mechanisms underlying wettability changes. Our simulations identify empirical correlations between wetting properties and the average free energy required to perturb a flat interface when clay-brine interactions are less dominant. Here, our thorough thermodynamic analysis of rock-fluid and fluid-fluid interactions, aligning with key experimental observations, underscores the utility of simulated interfacial properties in refining contact angle measurements and predicting experimentally relevant properties. These insights significantly enhance the assessment of gas geo-storage potential. Prospectively, the approaches and findings obtained from this study could form a basis for more advanced multiscale simulations that consider a range of geological and operational variables, potentially guiding the development and improvement of geo-storage systems in general, with a particular focus on hydrogen storage.

25 ENERGY STORAGE↗
DOE OSTI2026

Interfacial Inversion of Stealth Surfactants

Amphiphilic macromolecular surfactants segregate to liquid–liquid interfaces, thereby reducing the interfacial tension and free energy. Here, we investigated “stealth surfactants” in the form of core–shell bottlebrush polymers comprised of pH-responsive diblock copolymer side chains forming a hydrophilic core and a hydrophobic shell, enabling solubility in oil. At liquid–liquid interfaces, these polymers undergo a structural “inversion”, with hydrophilic blocks segregating into the aqueous phase and hydrophobic blocks residing in the oil phase. The reconfiguration kinetics and surfactant properties are influenced by multiple factors, including the molecular weights of the backbone and side chain components, the hydrophilic-to-hydrophobic balance of the side chains, and the pH of the aqueous phase. An observed nonmonotonic dependence of interfacial tension with time is attributed to a progressive structural inversion, where the projected area of the macromolecule onto the interface decreases. To validate this inversion hypothesis, interfacial properties were characterized by sum-frequency generation vibrational spectroscopy, which revealed configurational changes of the core–shell bottlebrush polymers at the fluid interface and revealed a pH-dependent interfacial coverage. Coarse-grained molecular dynamics simulations supported these experimental findings, showing that the pH-responsive core and hydrophobic shell assume a time-averaged configuration with orientations parallel and perpendicular to the plane of the interface, respectively. These findings open routes to design multistimuli-responsive polymeric surfactants and compatibilizers, expanding their potential applications in advanced interfacial systems.

Stealth surfactants↗
NASA NTRS1990

Investigation of the reaction kinetics between SiC fibers and selectively alloyed titanium matrix composites and determination of their mechanical properties

During high temperature exposure, an interfacial reaction occurs between SiC fiber reinforcement and titanium matrices which can be detrimental to the mechanical properties of the composite. The reaction kinetics between SCS-6 fibers and Ti-1100 were determined at 800 to 1000 C and found to be slower than those of other currently used titanium alloys (Ti-15-3, Ti-6-4). The experimentally determined reaction kinetics for Ti-1100 were extrapolated to 700 C and found to accurately predict reaction zone size after 1000 hours of exposure. Predictions of the time to consume the surface layer on the SCS-6 and SCS-9 fibers were made in an effort to estimate the time that the fiber will retain its strength in Ti-1100 during isothermal exposure at high temperatures. Using this approach, the strength of an SCS-6 fiber in Ti-1100 should be retained for over 20,000 hours at isothermal exposures less than 800 C. Strength predictions using the rule of mixtures for a unidirectional Ti-1100/SCS-6 composite are presented for short term exposures up to 700 C. Room temperature tests of an as-fabricated 20 volume percent fiber/Ti-1100 composite yielded a UTS of 226 ksi (1490 MPa) which is close to that predicted by the ROM.

Gundel, Douglas B.↗
DOE OSTI2025

Rotary Inertia Friction Welding of Dissimilar High-Strength 422 Martensitic Stainless Steel and 4140 Low Alloy Steel for Heavy-Duty Engine Piston Fabrication

AISI 422 martensitic stainless steel with superior high temperature performance (oxidation resistance and strength) is under evaluation for replacing current heavy-duty piston crown materials, AISI 4140 martensitic steel and micro alloyed steel (MAS) 38MnSiVS5, to fabricate a multimaterial piston. This multimaterial piston concept further improved power density and fuel economy by allowing heavyduty diesel engines to operate at higher temperatures and pressures. Joining AISI 422 steel piston crowns with AISI 4140 steel piston skirts is a key manufacturing step for this multimaterial piston. However, the significant differences in strength, elevated temperature flow stress, alloy chemistry, and temper resistance between these two martensitic steels cause some weldability issues (cracking) and metallurgical challenges (alloying element migration/segregation) when using conventional fusion-based welding processes. Rotary inertia friction welding (RIFW), a solid-state welding process, has been the preferred method to join 4140 crowns to 4140 skirts (and MAS crowns to MAS skirts) in high-volume production of current heavy-duty diesel engine pistons. It has been used to join these two materials with relatively comparable alloy chemistry to fabricate pistons with MAS skirts and 4140 crowns. Meanwhile, RIFW has also been a preferred method of dissimilar metal welding. However, RIFW of dissimilar high-strength martensitic steels has yet to be widely pursued. The interfacial microstructure complexities created by the thermomechanical process and highly nonequilibrium phase transformations during RIFW are a significant challenge for understanding and predicting their joining behavior and have not been reported in detail. Here, in this work, defect-free AISI 422 steel-AISI 4140 multimaterial pistons were successfully fabricated using the RIFW process. The interfacial microstructure and mechanical properties of dissimilar 422/4140 steel RIFW in the as-welded condition were experimentally studied in detail. The results provide critical baseline information for understanding RIFW mechanisms and guiding subsequent postweld heat treatment (PWHT) practice.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Aluminum/SmCo 5 composites for structural and magnetic applications

Metal-bonded magnetic composites (MBMCs) present a promising alternative to dense sintered magnets, particularly for intricate components. Compared to polymer-based bonded magnets, MBMCs have wider applicability in harsh environments. In this paper, we demonstrate a solid-state shear-based manufacturing technique to introduce localized magnetization into a paramagnetic aluminum matrix by embedding SmCo5 permanent magnet particles. Our magnetic composites display hard magnetic behavior with a coercivity of 13 kOe and a remanent magnetization of 4.32 emu/g. In addition to magnetization, we also report a 9% improvement in Young’s modulus. Despite the local temperature rise during processing, the magnetic phases didn’t decompose into unwanted phases, preserving the composite's hard magnetic properties. Creation of an interfacial metallurgical bond with the matrix ensured the suitability of the composites for structural applications. Our study investigates the mechanical, and functional properties of composites, paving the way for lightweight structural magnetic composites with a transformative potential in the aerospace, nuclear, and automotive applications. This work underscores the potential for further optimization and development to drive innovations in magnet and equipment design.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Interlaminar shear properties of graphite fiber, high-performance resin composites

Short beam testing was used to determine the shear properties of laminates consisting of T-300 and Celion 3000 and 6000 graphite fibers, in epoxy, hot melt and solvent bismaleimide, polyimide and polystyrylpyridine (PSP). Epoxy, composites showed the highest interlaminar shear strength, with values for all other resins being substantially lower. The dependence of interlaminar shear properties on the fiber-resin interfacial bond and on resin wetting characteristics and mechanical properties is investigated, and it is determined that the lower shear strength of the tested composites, by comparison with epoxy resin matrix composites, is due to their correspondingly lower interfacial bond strengths. An investigation of the effect of the wettability of carbon fiber tow on shear strength shows wetting variations among resins that are too small to account for the large shear strength property differences observed.

Needles, H. L.↗
NASA NTRS2005

Materials Chemistry Issues in the Development of a Single-Crystal Solar/Thermal Refractive Secondary Concentrator

A translucent crystal concentrates and transmits energy to a heat exchanger, which in turn heats a propellant gas, working gas of a dynamic power system, or a thermopile. Materials are the limiting issue in such a system. Central is the durability of the crystal, which must maintain the required chemical, physical/optical, and mechanical properties as it is heated and cooled. This report summarizes available data to date on the materials issues with this system. We focus on the current leading candidate materials, which are sapphire (Al2O3) for higher temperatures and silica (SiO2) for lower temperatures. We use data from thermochemical calculations; laboratory coupon tests with silica and sapphire; and system tests with sapphire. The required chemical properties include low-vapor pressure and interfacial stability with supporting structural materials. Optical properties such as transmittance and index of refraction must be maintained. Thermomechanical stability is a major challenge for a large, single-crystal ceramic and has been discussed in another report. In addition to the crystal, other materials in the proposed system include refractory metals (Nb, Ta, Mo, W, and Re), carbon (C), and high-temperature ceramic insulation. The major issue here is low levels of oxygen, which lead to volatile refractory metal oxides and rapid consumption of the refractory metal. Interfacial reactions between the ceramic crystal and refractory metal are also discussed. Finally, high-temperature ceramic insulating materials are also likely to be used in this system. Outgassing is a major issue for these materials. The products of outgassing are typically reactive with the refractory metals and must be minimized.

Jacobson, Nathan S.↗
DOE OSTI2024

Hybrid additive manufacturing of AISI 316L via asynchronous powder and hot-wire laser directed energy deposition

Hybrid Additive Manufacturing (AM) offers a way to leverage the advantages of different AM technologies, enabling the efficient production of sizeable parts without compromising material properties or geometric complexity capabilities. This study presents an asynchronous hybrid Directed Energy Deposition (DED) strategy employing laser powder DED and laser hot-wire DED. AISI 316L parts comprising multiple powder and wire segments were fabricated with optional machining on AISI 316L substrates to investigate how quality is impacted by (i) alternative process sequences (laser powder DED followed by laser hot-wire DED and vice versa), (ii) machined vs. as-printed interfacial conditions, and (iii) material deposition on top vs. alongside previously built segments. Optical microscopy, X-ray computed tomography, and Vickers hardness were used to characterize the morphology and microstructure of the parts, localized porosity and lack of fusion defects, bulk density, and mechanical properties. Interfacial machining was necessary for dimensional control but promoted lack of fusion voids, resulting in a 99.71 ± 0.01% dense part. As-printed interfaces resulted in a denser part (99.82 ± 0.02%) at the expense of dimensional accuracy. The hardness of the parts with as-printed and machined interfaces was 196 ± 0.37 HV and 192 ± 0.40 HV, respectively, compared to 156 ± 1.4 HV for the substrate. Depositing powder alongside or on top of wire sections resulted in interfaces with a hardness of 217 ± 2.2 HV, compared to 185 ± 3.4 HV for the wire-powder interfaces.

36 MATERIALS SCIENCE↗
NASA NTRS2000

CEMCAN Software Enhanced for Predicting the Properties of Woven Ceramic Matrix Composites

Major advancements are needed in current high-temperature materials to meet the requirements of future space and aeropropulsion structural components. Ceramic matrix composites (CMC's) are one class of materials that are being evaluated as candidate materials for many high-temperature applications. Past efforts to improve the performance of CMC's focused primarily on improving the properties of the fiber, interfacial coatings, and matrix constituents as individual phases. Design and analysis tools must take into consideration the complex geometries, microstructures, and fabrication processes involved in these composites and must allow the composite properties to be tailored for optimum performance. Major accomplishments during the past year include the development and inclusion of woven CMC micromechanics methodology into the CEMCAN (Ceramic Matrix Composites Analyzer) computer code. The code enables one to calibrate a consistent set of constituent properties as a function of temperature with the aid of experimentally measured data.

Murthy, Pappu L. N.↗
NASA NTRS2004

Improved BN Coatings on SiC Fibers in SiC Matrices

Modifications of BN-based coatings that are used as interfacial layers between the fibers and matrices of SiCfiber/SiC-matrix composite materials have been investigated to improve the thermomechanical properties of these materials. Such interfacial coating layers, which are also known as interphases (not to be confused with interphase in the biological sense), contribute to strength and fracture toughness of a fiber/matrix composite material by providing for limited amounts of fiber/matrix debonding and sliding to absorb some of the energy that would otherwise contribute to the propagation of cracks. Heretofore, the debonding and sliding have been of a type called inside debonding because they have taken place predominantly on the inside surfaces of the BN layers that is, at the interfaces between the SiC fibers and the interphases. The modifications cause the debonding and sliding to include more of a type, called outside debonding, that takes place at the outside surfaces of the BN layers that is, at the interfaces between the interphases and the matrix (see figure). One of the expected advantages of outside debonding is that unlike in inside debonding, the interphases would remain on the crack-bridging fibers. The interphases thus remaining should afford additional protection against oxidation at high temperature and should delay undesired fiber/fiber fusion and embrittlement of the composite material. A secondary benefit of outside debonding is that the interphase/matrix interfaces could be made more compliant than are the fiber/interphase interfaces, which necessarily incorporate the roughness of the SiC fibers. By properly engineering BN interphase layers to favor outside debonding, it should be possible, not only to delay embrittlement at intermediate temperatures, but also to reduce the effective interfacial shear strength and increase the failure strain and toughness of the composite material. Two techniques have been proposed and partially experimentally verified as candidate means to promote outside debonding in state-of-the-art SiC/SiC composites.

Morscher, Gregory N.↗