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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Models for Type I supernovae

Two somewhat disjoint scenarios for Type I supernovae are presented. One scenario is based on mass accretion by a white dwarf in a binary system, while the other involves a star of 8 to 10 solar masses which may or may not be a solitary star. In spite of the apparent dissimilarities of the two models, it may be that each occurs to some extent in nature, for they both share the possibility of producing substantial quantities of Ni-56 and explosions in stars devoid of hydrogen envelopes. It is concluded that these are two properties that must be shared by any viable Type I model.

Woosley, S. E.↗
DOE OSTI2020

The Influence of Processing Parameters on the Transition Zone for Blended Material 3D Printing

The use of Multiple Materials (MM) in Additive Manufacturing (AM) is increasingly important for expanding the range of applications in the manufacturing industry, particularly for large-format processes. Typically, polymer-based AM incorporates MM transitions through discrete interfaces between layers. This arrangement significantly increases the occurrence of layer delamination failures due to decreased bonding between dissimilar polymers. Elimination of discrete material interfaces by continuously transitioning from Material A to B provides a possible solution. Such continuous gradients could be used to create functionally graded structures that take full advantage of AM’s capability to deliberately impart site-specific properties. Cincinnati’s Big Area Additive Manufacturing (BAAM) system at Oak Ridge National Lab has been equipped with a dual-hopper system that enables in-situ material switching specifically intended for functionally graded and MM printing. The resulting material transition exhibits varied behavior based on printing conditions, which can have an impact on part design and resulting mechanical properties. In this work, the transition zone is characterized as a function of the printing screw speed (related to volumetric flow) and the screw geometry.

Brackett, James↗
DOE OSTI2025

Integrated process-structure–property–performance optimization of cold-sprayed zinc coatings on AZ91 magnesium alloy

High-pressure die cast (HPDC) AZ91 magnesium alloy is widely used in automotive components such as transmission housings and brackets for its excellent strength-to-weight ratio. Zinc-based cold spray coatings can be applied selectively to vulnerable areas to enhance corrosion resistance, minimize galvanic coupling with dissimilar metals, and eliminate the need for full-surface oxide coatings, making the process more efficient and targeted. A comprehensive evaluation of 16 combinations of nitrogen carrier gas temperatures and pressures led to the identification of an optimal range of process parameters, yielding Zn coatings with porosity <0.5 % by area, wear rates reduced by a factor of two compared to uncoated AZ91, and adhesion strengths up to 35 MPa. The enhanced mechanical performance of the coating is attributed to the low porosity and the formation of a metallurgical bond at the coating-substrate interface. Corrosion studies using macroscale potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) revealed a significant decrease in corrosion rate and a shift to more noble corrosion potentials (ZCP) for coated substrates. Furthermore, the Zn cold-sprayed samples exhibited significantly lower corrosion-induced evolved hydrogen content compared to the base AZ91 substrate and AZ91 coated with industrial coatings, demonstrating that the Zn layer effectively protects the substrate from the corrosive environment. Overall, cold spray Zn coatings significantly improve the mechanical and corrosion performance of AZ91 Mg alloys, addressing key material challenges and enabling their broader use in automotive applications.

Corrosion performance↗
NASA NTRS1986

Are gel-derived glasses different from ordinary glasses?

A review is presented of some of the previously reported differences and similarities between comparable gel glasses (and gels) and ordinary glasses. In this regard, considerations are made with respect to such factors as structure, physical and thermal properties, and phase transformation behavior. A variety of silicate glass compositions are used for illustrative purposes. The discussion is roughly divided into two sections: low and high temperature behavior. At low temperatures one anticipates that differences between gel and conventional glasses will exist, but such dissimilarities are not expected to persist to high temperatures. However, experimental evidence is presented which indicates the perpetuation of such differences to very high temperatures. A partial resolution for this anomalous behavior is offered.

Weinberg, M. C.↗
NASA NTRS2010

Ceramic Integration Technologies for Advanced Energy Systems: Critical Needs, Technical Challenges, and Opportunities

Advanced ceramic integration technologies dramatically impact the energy landscape due to wide scale application of ceramics in all aspects of alternative energy production, storage, distribution, conservation, and efficiency. Examples include fuel cells, thermoelectrics, photovoltaics, gas turbine propulsion systems, distribution and transmission systems based on superconductors, nuclear power generation and waste disposal. Ceramic integration technologies play a key role in fabrication and manufacturing of large and complex shaped parts with multifunctional properties. However, the development of robust and reliable integrated systems with optimum performance requires the understanding of many thermochemical and thermomechanical factors, particularly for high temperature applications. In this presentation, various needs, challenges, and opportunities in design, fabrication, and testing of integrated similar (ceramic ceramic) and dissimilar (ceramic metal) material www.nasa.gov 45 ceramic-ceramic-systems have been discussed. Experimental results for bonding and integration of SiC based Micro-Electro-Mechanical-Systems (MEMS) LDI fuel injector and advanced ceramics and composites for gas turbine applications are presented.

Singh, Mrityunjay↗
DOE OSTI2025

2D Vacancy Confinement in Anatase TiO 2 for Enhanced Photocatalytic Activities

Abstract Light‐driven energy conversion devices call for the atomic‐level manipulation of defects associated with electronic states in solids. However, previous approaches to produce oxygen vacancy (V O ) as a source of sub‐bandgap energy levels have hampered the precise control of the distribution and concentration ofV O . Here, a new strategy to spatially confineV O at the homo‐interfaces is demonstrated by exploiting the sequential growth of anatase TiO 2 under dissimilar thermodynamic conditions. Remarkably, metallic behavior with high carrier density and electron mobility is observed after sequential growth of the TiO 2 films under low pressure and temperature (L‐TiO 2 ) on top of high‐quality anatase TiO 2 epitaxial films (H‐TiO 2 ), despite the insulating properties of L‐TiO 2 and H‐TiO 2 single layers. Multiple characterizations elucidate that theV O layer is geometrically confined within 4 unit cells at the interface, along with low‐temperature crystallization of upper L‐TiO 2 films; this 2DV O layer is responsible for the formation of in‐gap states, promoting photocarrier lifetime (≈300%) and light absorption. These results suggest a synthetic strategy to locally confine functional defects and emphasize how sub‐bandgap energy levels in the confined imperfections influence the kinetics of light‐driven catalytic reactions.

Chemistry↗
DOE OSTI2021

Solid-State Joining of Magnesium Sheet to High-Strength Steel

Increasing the use of lightweight materials and implementing enabling manufacturing technologies are the two primary paths toward automotive weight reduction. In many situations, the ability to substitute light weight material requires a need to attach and join light weight material to existing steel substructures requiring dissimilar joining technologies. Dissimilar joining methods currently available in cost range for high volume automotive manufacturing face multiple challenges. The problem is exacerbated in the case of Magnesium alloy to steel joints because of their highly dissimilar nature and lack of mutual miscibility. Additionally, Magnesium’s poor room temperature ductility complicates the use of point fastening technologies. Two emerging solid-state joining technologies Friction Stir assisted Scribe welding (FaST) and Ultrasonic Welding (USW) that employ large amount of plastic deformation at the interface were used to investigate, develop, and understand dissimilar joints between Magnesium Alloy to DP590 Steel. Various process responses including interface temperatures, process forces, strain fields were captured during the development of the welding process. Variety of welded samples were tested and characterized to understand the relationship between welding conditions and joints microstructure and mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A physics informed model for the prediction of surface energies and the shape of metal particles

Surface energies of metal-based systems are important for determining the Wulff-constructed shapes of metal nanoparticles and understanding the stability. We have developed a physics informed method to predict the total energy of metal-based systems across a wide range of configurations. Our method has been tested against density functional theory (DFT) calculations for late transition metals. This method enables on-the-fly surface energy predictions based on the fundamental of materials property and allows for the Wulff construction of metal particles for a random number of elemental atoms and without the need for DFT calculations. By making a division between atoms in the different layers of the model system, we can improve the accuracy of the model, suggesting a dissimilarity between the electronic structure due to an alternating compression and expansion of atomic layers. We find that our model accurately and effectively provides valuable insights into the distribution and stability of nanoparticles.

Mandal, Shyama Charan (ORCID:0000000245882874)↗
DOE OSTI2024

Spontaneous emergence of straintronics effects and striped stacking domains in untwisted three-layer epitaxial graphene

Emergent electronic phenomena, from superconductivity to ferroelectricity, magnetism, and correlated many-body band gaps, have been observed in domains created by stacking and twisting atomic layers of Van der Waals materials. In graphene, emergent properties have been observed in ABC stacking domains obtained by exfoliation followed by expert mechanical twisting and alignment with the desired orientation, a process very challenging and nonscalable. Here, conductive atomic force microscopy shows in untwisted epitaxial graphene grown on SiC the surprising presence of striped domains with dissimilar conductance, a contrast that demonstrates the presence of ABA and ABC domains since it matches exactly the conductivity difference observed in ABA/ABC domains in twisted exfoliated graphene and calculated by density functional theory. The size and geometry of the stacking domains depend on the interplay between strain, solitons crossing, and shape of the three-layer regions. Interestingly, we demonstrate the growth of three-layer regions in which the ABA/ABC stacking domains self-organize in stable stripes of a few tens of nanometers. The growth-controlled production of isolated and stripe-shaped ABA/ABC domains open the path to fabricate quantum devices on these domains. These findings on self-assembly formation of ABA/ABC epitaxial graphene stripes on SiC without the need of time-consuming and nonscalable graphene exfoliation, alignment, and twisting provide different potential applications of graphene in electronic devices.

Rejhon, Martin (ORCID:000000017775487X)↗
DOE OSTI2020

Machine Learning-Based Upscaling of Finite-Size Molecular Dynamics Diffusion Simulations for Binary Fluids

Molecular diffusion coefficients calculated using molecular dynamics (MD) simulations suffer from finite-size (i.e., finite box size and finite particle number) effects. Results from finite-sized MD simulations can be upscaled to infinite simulation size by applying a correction factor. For self-diffusion of single-component fluids, this correction has been well-studied by many researchers including Yeh and Hummer (YH); for binary fluid mixtures, a modified YH correction was recently proposed for correcting MD-predicted Maxwell–Stephan (MS) diffusion rates. In this study we use both empirical and machine learning methods to identify improvements to the finite-size correction factors for both self-diffusion and MS diffusion of binary Lennard-Jones (LJ) fluid mixtures. Using artificial neural networks (ANNs), the error in the corrected LJ fluid diffusion is reduced by an order of magnitude versus existing YH corrections, and the ANN models perform well for mixtures with large dissimilarities in size and interaction energies where the YH correction proves insufficient.

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

Dislocation dynamics in heterogeneous nanostructured materials

Crystalline materials can be strengthened by introducing dissimilar phases that impede dislocation glide. At the same time, the changes in microstructure and chemistry usually make the materials less ductile. One way to circumvent the strength–ductility dilemma is to take advantage of heterogeneous nanophases which simultaneously serve as dislocation barriers and sources. Owing to their superior mechanical properties, heterogeneous nanostructured materials (HNMs) have attracted a lot of attention worldwide. Nevertheless, it has been difficult to characterize dislocation dynamics in HNMs using classical continuum models, mainly due to the challenges in describing the elastic and plastic heterogeneity among the phases. Here, in this work, we advance a phase-field dislocation dynamics (PFDD) model to treat multi-phase materials, consisting of phases differing in composition, structural order, and size in the same system. We then apply the advanced PFDD model to exploring two important but divergent materials design problems in HNMs: dislocation/obstacle interactions and dislocation/interface interactions. Results show that the interactions between a dislocation and distribution of obstacles varying in structure and composition cannot be understood by simply interpolating from their individual interactions with a dislocation. It is also found that materials containing interfaces with nanoscale thicknesses and compositional gradients have a much higher dislocation bypass stress than those with sharp interfaces, providing an explanation for the simultaneous high strength and toughness of thick interface-containing nanolaminates as observed in recent experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Molecular Dynamics Simulation of Hygroscopic Aging Effects in Epoxy Polymer

The automobile industry is incorporating more lightweight content in car designs to boost fuel-economy. New structural adhesives are needed to mitigate the corrosion and thermal expansion issues associated with joining dissimilar lightweight materials, but adhesive developers lack a fundamental understanding of the chemistry that occurs in the adhesive as the joint ages. In this study, we developed structural adhesive molecular models and applied classical molecular dynamics simulations and density functional theory calculations to gain molecular insights into the influence of water molecules on the properties of epoxy-based adhesives (DGEBA + Jeffamine (JD230)). The simulations were complemented by experimental synthesis and characterization. Our work underscores the impact of water molecules on the local structure of the epoxy network as well as resulting mechanical properties. Water molecules were mainly coordinated with hydroxyls, primary amines and secondary amines, but also weakly coordinated with ether linkages, which were found most probable to be labile. Simulated stress–strain data indicates that increasing the water content deteriorates the mechanical properties. The Young’s modulus decreased by ~ 30% when the water content increased to 3 wt%. We conclude, this integration of molecular-level chemical insights with mechanical property simulations of the hydrated epoxy system and experimental validation holds the promise to advance lightweight joint technologies.

36 MATERIALS SCIENCE↗
NASA NTRS2009

Development of High Temperature Dissimilar Joint Technology for Fission Surface Power Systems

NASA is developing fission surface power (FSP) system technology as a potential option for use on the surface of the moon or Mars. The goal is to design a robust system that takes full advantage of existing materials data bases. One of the key components of the power conversion system is the hot-side Heat Exchanger (HX). One possible design for this heat exchanger requires a joint of the dissimilar metals 316L stainless steel and Inconel 718, which must sustain extended operation at high temperatures. This study compares two joining techniques, brazing and diffusion bonding, in the context of forming the requisite stainless steel to superalloy joint. The microstructures produced by brazing and diffusion bonding, the effect of brazing cycle on the mechanical tensile properties of the alloys, and the strength of several brazed joints will be discussed.

Locci, Ivan E.↗
DOE OSTI2025

Resonant inelastic x-ray scattering investigation of Hund's and spin-orbit coupling in 5 d 2 double perovskites

𝐵 site ordered 5⁢𝑑 2 double perovskites (𝐴 2 ⁢𝐵⁢𝐵′⁢O 6 , 𝐵′ = 5⁢𝑑 2 ) display a remarkable range of physical properties upon variation of the chosen 𝐵 and 𝐵′ site ions. This sensitivity to chemical substitution reflects the delicate balance and profound impact of strong electronic correlation and spin-orbit coupling in such systems. Here, we present rhenium 𝐿 2 and 𝐿 3 resonant inelastic x-ray scattering (RIXS) measurements of two such physically dissimilar materials, Mott-insultating Ba 2⁢ Y⁢Re⁢O 6 and semiconducting Sr 2⁢ Cr⁢Re⁢O 6 . Despite these differences, our RIXS results reveal similar energy scales of Hund's (𝐽 𝐻 ) and spin-orbit coupling (𝜁) in the two materials, with both systems firmly in the intermediate Hund's coupling regime where 𝐽 𝐻 /𝜁∼1. However, there are clear differences in their RIXS spectra. The conductive character of Sr 2⁢ Cr⁢Re⁢O 6 broadens and obfuscates the atomic transitions within an electron-hole continuum, while the insulating character of Ba 2 ⁢Y⁢Re⁢O 6 results in sharp atomic excitations. This contrast in their RIXS spectra despite their similar energy scales reflects a difference in the itinerancy-promoting hopping integral and illustrates the impact of the local crystal environment in double perovskites. Finally, 𝐿 2 and 𝐿 3 edge analyses of the atomic excitations in Ba 2 ⁢Y⁢Re⁢O 6 reveal that the ordering of the low lying excited states is inverted compared to previous reports, such that the appropriate energy scales of Hund's and spin-orbit coupling are significantly modified. We present exact diagonalization calculations of the RIXS spectra at both edges which show good agreement with our results for new energy scales of 𝜁 = 0.290⁢(5)⁢eV and 𝐽 𝐻 = 0.38⁢(2)⁢eV [𝐽 𝐻 /𝜁 = 1.30⁢(5)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Dominant effect of anharmonicity on the equation of state and thermal conductivity of MgO under extreme conditions

Understanding heat transfer in the earth mantle region is of great scientific interest but highly challenging due to dissimilar conditions from our daily lives. Thermal conductivity of highly pressured and thermally activated materials can be completely different from that at ambient condition. In this study we calculate the equation of state and thermal conductivity of cubic crystalline MgO, a major component of the mantle, in such an environment. It is shown that the material properties are not accurately captured unless rigorous treatment of anharmonicity of phonon vibrational motion is explicitly applied. To predict renormalized phonon dispersion relations, interatomic force constants of high-order expansion are required, especially at elevated temperature. The anharmonicity plays an increasingly substantial role for regulating volume expansion as temperature rises, because the Gibbs free energy of MgO considerably deviates from what was predicted by the quasiharmonic approximation. We find that the lattice thermal conductivity of MgO and the heat transfer of the earth's mantle are reliably estimated only when both the temperature-dependent renormalization of phonon frequencies and four-phonon scattering effects are taken into consideration. We map the characteristics at Geotherm into contour diagrams in which equilibrium volumes and the thermal conductivities are described as functions of temperature and pressure. Furthermore, the thermal conductivity values of MgO in this study are smaller than those in previous theoretical studies due to the additional incorporation of four-phonon scatterings in the calculations. Specifically, deviation between the values in previous studies and in this study becomes larger as thermodynamic variables reach those near the core-mantle boundary. For instance, thermal conductivities of 52.15 and 23.67 Wm -1 K -1 are estimated at ambient and extreme conditions (T = 4000K and P = 135 GPa), respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Operando X-ray Nanocharacterization of Polycrystalline Thin Film Modules

Non-destructive measurement techniques, with high spatial resolution, capable of correlating composition and structure with device properties, are few and far between. For the case of polycrystalline and inhomogeneous materials, the added challenge is that large sampling areas are necessary in order to have a statistical representation of the specimen under study. For the study of grain cores and grain boundaries in polycrystalline solar absorbers this is of particular importance since their dissimilar behavior and variability throughout the samples makes it difficult to draw conclusions and ultimately optimize the materials and devices. Our approach to use state-of-the-art x-ray microscopy to study full module stacks under operating conditions is unique. Understanding the effects of elemental and charge migration under full encapsulation and operating conditions will allow CIGS and CdTe manufactures and in particular our partners in this proposal to modify materials, stacks, architectures, and processing steps to minimize the performance losses through time.

14 SOLAR ENERGY↗
NASA NTRS1974

An orthotropic laminate composite containing a layer with a crack

A laminate composite containing an orthotropic layer with a crack situated normal to the interfaces, and bonded to two orthotropic half-planes of dissimilar materials was considered. The solutions for two different classes of orthotropic materials are presented. In each case, the problem was first reduced to a system of dual integral equations, then to a singular integral equation which was subsequently solved numerically for the stress intensity factors at the tip of the crack. The effect of the material properties on the stress intensity factor was investigated. The generalized plane stress and the plane strain were treated simultaneously.

Arin, K.↗
NASA NTRS2011

Microhardness and Strain Field Characterization of Self-Reacting Friction Stir and Plug Welds of Dissimilar Aluminum Alloys

Friction stir welding (FSW) is a solid state welding process with potential advantages for aerospace and automotive industries dealing with light alloys. Self-reacting friction stir welding (SR-FSW) is one variation of the FSW process being developed at the National Aeronautics and Space Administration (NASA) for use in the fabrication of propellant tanks. Friction plug welding is used to seal the exit hole that remains in a circumferential SR-FSW. This work reports on material properties and strain patterns developed in a SR-FSW with a friction plug weld. Specifically, this study examines the behavior of a SR-FSW formed between an AA 2014-T6 plate on the advancing side and an AA 2219-T87 plate on the retreating side and a SR-FSW (AA 2014-T6 to AA 2219-T87) with a 2219-T87 plug weld. This study presents the results of a characterization of the micro-hardness, joint strength, and strain field characterization of SR-FSW and FPW joints tested at room temperature and cryogenic temperatures.

Horton, Karla Renee↗