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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Improving the Strength of the ZrC-SiC and TC4 Brazed Joint Through Fabricating Graded Double-Layered Composite Structure on TC4 Surface

In order to improve the ZrC-SiC ceramic and TC4 brazed joint property, graded double-layered SiC particles (SiCp)-reinforced TC4-based composite structure (named as GLS for convenience) was designed to relieve the residual stress in the joint. The GLS was successfully fabricated on TC4 substrate by double-layered laser deposition technology before the brazing process. The investigation of the GLS shows that the volume fraction of SiCp in the two composite layers was graded (20 and 39 vol pct, respectively). Ti{sub 5}Si{sub 3} and TiC phases formed in the GLS due to the reaction of SiCp and TC4. The laser power-II (the laser power for the second deposition layer) affected the microstructure of the GLS significantly. Increasing the laser power-II would promote the reaction between the SiCp and TC4. But the high laser power-II made the layer I remelt completely and the two layers became homogeneous rather than graded structure. In the ZrC-SiC and TC4 brazed joint, the CTE (coefficient of thermal expansion) was graded from the TC4 to the ZrC-SiC due to the GLS, and the strength of the joint with the GLS (91 MPa) was higher than that without the GLS (43 MPa).

36 MATERIALS SCIENCE↗
DOE OSTI2020

The incommensurately modulated structures of low-temperature labradorite feldspars: a single-crystal X-ray and neutron diffraction study

Labradorite feldspars of the plagioclase solid solution series have been known for their complicated subsolidus phase relations and enigmatic incommensurately modulated structures. Characterized by the irrationally indexed e -reflections in the diffraction pattern, e -labradorite shows the largest variation in the incommensurate ordering states among the e -plagioclase structures. The strongly ordered low-temperature e -labradorite is one of the last missing pieces of the e -plagioclase puzzle. Nine plutonic and metamorphic labradorite feldspar samples from Canada, Ukraine, Minnesota (USA), Tanzania and Greenland with compositions ranging from An 52.5 to An 68 were studied with single-crystal X-ray diffraction. Two crystals from Labrador, Canada, and Duluth, MN, USA, with wide enough twin lamellae were analyzed with single-crystal neutron diffraction. The incommensurately modulated structures of e -plagioclase are refined for the first time with neutron diffraction data, which confirmed that the T—O distance modulation in the low-temperature e -plagioclase results from the Al–Si ordering in the framework. Detailed configurations of the M site are also observed in the structures refined from neutron diffraction data, which were not possible to see with X-ray diffraction data. The relation between the q -vectors and the mole% An composition is revealed for the entire compositional range of e -plagioclase, from An 25 to An 75 . The previously proposed two-trend relation depending on the cooling rate and phase transition path is confirmed. A new classification of e -plagioclase ( e α , e β and e γ ) is proposed based on the q -vector of the structure, which makes it an independent character from the presence/absence of density modulation. New parameters are proposed to quantify the ordering states of these complicated aperiodic structures of e -plagioclases, such as the difference between $\langle$T 1 o—O$\rangle$ and $\langle$T 1 m—O$\rangle$ at phase t = 0.2 or the normalized intensity of the (071\bar 1) reflection.

36 MATERIALS SCIENCE↗
NASA NTRS1997

OMC Compressor Case

This report summarizes efforts expended in the development of an all-composite compressor case. Two pre-production units have been built, one utilizing V-CAP and one utilizing AFR-700B resin systems. Both units have been rig tested at elevated temperatures well above design limit loads. This report discusses the manufacturing processes, test results, and Finite Element Analysis performed. The V-CAP unit was funded by NASA-Lewis Research Center in 1994 under contract number NAS3- 27442 for Development of an All-Composite OMC Compressor Case. This contract was followed by an Air Force study in 1996 to build and identical unit using the AFR-700B resin system in place of the V-CAP system. The second compressor case was funded under U.S. Air Force contract F33615-93-D-5326, Advanced Materials for Aerospace Structures Special Studies (AMAS3), Delivery Order 0021 entitled "Advanced Polymeric Composite Materials and Structures Technology for Advanced High Temperature Gas Turbine Engines.' Initial studies using the V-CAP resin system were undertaken in 1993 under a NASA Lewis contract (NAS3-26829). A first prototype unit was developed in a joint program between Textron-Lycoming (now Allied Signal) and Brunswick (now Lincoln Composites). This unit included composite end closures using low density, high temperature molded end closures. The units was similar in size and shape to a titanium case currently used on the PT-21 0 engine and was funded as part of the integrated High Performance Turbine Engine Technology (EHPTET) initiative of DOD and NASA.

Humphrey, W. Donald↗
NASA NTRS1979

Approaches to adaptive digital control focusing on the second order modal descriptions of large, flexible spacecraft dynamics

The widespread modal analysis of flexible spacecraft and recognition of the poor a priori parameterization possible of the modal descriptions of individual structures have prompted the consideration of adaptive modal control strategies for distributed parameter systems. The current major approaches to computationally efficient adaptive digital control useful in these endeavors are explained in an original, lucid manner using modal second order structure dynamics for algorithm explication. Difficulties in extending these lumped-parameter techniques to distributed-parameter system expansion control are cited.

Johnson, C. R., Jr.↗
DOE OSTI2022

Metal–Metal Oxide Catalytic Interface Formation and Structural Evolution: A Discovery of Strong Metal–Support Bonding, Ordered Intermetallics, and Single Atoms

In-depth investigation of metal–metal oxide interactions and their corresponding evolution is of paramount importance to heterogeneous catalysis as it allows the understanding and maneuvering of the structure of catalytic motifs. Herein, using a series of core/shell metal/iron oxide (M/FeO x , M = Pd, Pt, Au) nanoparticles and through a combination of in situ and ex situ electron and X-ray investigations, we revealed anomalous and dissimilar M–FeO x interactions among different systems under reducing conditions. Further, Pd interacts strongly with FeO x after high-temperature reductive treatment, featured by the formation of Pd single atoms in the FeO x matrix and increased Pd–Fe bonding, while Pt transforms into ordered PtFe intermetallics and Pt single atoms immediately upon the coating of FeO x . In contrast, Au does not manifest strong bonding with FeO x . As a proof of concept of tailoring metal–metal oxide interactions for catalysis, optimized Pd/FeO x demonstrates 100% conversion and 86.5% selectivity at 60 °C for acetylene semihydrogenation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

The effects of time-dependent excitation on the oscillatory motion of viscously damped laminated composite flat panels

Analytical estimates are used to describe the effects of transverse shear deformation, transverse normal stress, damping, and heterogeneity on the dynamic responses of laminated composite structures. The higher-order plate model is delineated with attention given to applications for viscously damped cross-ply symmetrically laminated plates subject to different time-history excitations. These effects are considered in the context of sonic-boom and blast loadings, and comparisons are made between the results of higher-order plate theory, first-order transverse-shear deformation, and classical theory. The results of the present higher-order model are found to be immune to the changes incurred by adding transverse viscous into the analysis. The responses of pulse-loadings due to symmetrical sonic boom and a triangular blast are found to be similar for certain times and pressure fields. It is shown that only the higher-order plate theory permits the accurate evaluation of frequency spectrum and time-history structural response of composite laminates.

Nosier, A.↗
NASA NTRS1992

Second-order state estimation experiments using acceleration measurements

The estimation of dynamic states for feedback control of structural systems using second-order differential equations and acceleration measurements is described. The formulation of the observer model, and the design of the observer gains is discussed in detail. It is shown the second-order observer is highly stable because the stability constraints on the observer gains are model independent. The limitation of the proposed observer is the need for 'nearly' collocated actuators and accelerometers. Experimental results using a control-structure interaction testbed are presented that show the second-order observer provided more stability than a Kalman filter estimator without decreasing closed-loop performance.

Belvin, W. K.↗
DOE OSTI2025

The structures of mcgovernite and carlfrancisite reconsidered: static disorder or ordered defects and twinning?

Here, the minerals mcgovernite and carlfrancisite possess an extraordinary rhombohedral unit cell [mcgovernite: a = b = 8.206 Å and c = 204.118 Å, with the complex formula unit M 2+ 19 Zn 3 (OH) 21 (AsO 3 )(AsO 4 ) 3 (SiO 4 ) 3 (M = Mn, Mg, Zn); carlfrancisite similar]. Hawthorne [(2018), Mineral. Mag. 82, 1101–1118] reported a single-crystal study using a centrosymmetric model ($R\bar{3}c$) containing disorder on three cationic sites and an AsIII lone-pair site for both mcgovernite and carlfrancisite. A solution of the structure of mcgovernite from high-resolution synchrotron powder diffraction data suggests a reinterpretation of the crystal structures of mcgovernite and carlfrancisite as noncentrosymmetric R3c with ordered planar defects which allows for merohedral twinning.

carlfrancisite↗
NASA NTRS1986

Density and pressure variability in the mesosphere and thermosphere

In an effort to isolate the essential physics of the mesosphere and the thermosphere, a steady one-dimensional density and pressure model has been developed in support of related NASA activities, i.e., projects such as the AOTV and the Space Station. The model incorporates a zeroth order basic state including both the three-dimensional wind field and its associated shear structure, etc. A first order wave field is also incorporated in period bands ranging from about one second to one day. Both basic state and perturbation quantities satsify the combined constraints of mass, linear momentum and energy conservation on the midlatitude beta plane. A numerical (iterative) technique is used to solve for the vertical wind which is coupled to the density and pressure fields. The temperature structure from 1 to 1000 km and the lower boundary conditions are specified using the U.S. Standard Atmosphere 1976. Vertical winds are initialized at the top of the Planetary Boundary Layer using Ekman pumping values over flat terrain. The model also allows for the generation of waves during the geostrophic adjustment process and incorporates wave nonlinearity effects.

Davis, T. M.↗
DOE OSTI2025

Structural basis for aminoacylation of cellular modified tRNALys3 by human lysyl-tRNA synthetase

Abstract The average eukaryotic transfer ribonucleic acid (tRNA) contains 13 post-transcriptional modifications; however, their functional impact is largely unknown. Our understanding of the complex tRNA aminoacylation machinery in metazoans also remains limited. Herein, using a series of high-resolution cryo-electron microscopy (cryo-EM) structures, we provide the mechanistic basis for recognition and aminoacylation of fully modified cellular tRNALys3 by human lysyl-tRNA synthetase (h-LysRS). The tRNALys3 anticodon loop modifications S34 (mcm5s2U) and R37 (ms2t6A) play an integral role in recognition by h-LysRS. Modifications in the T-, variable-, and D-loops of tRNALys3 are critical for ordering the metazoan-specific N-terminal domain of LysRS. The two catalytic steps of tRNALys3 aminoacylation are structurally ordered; docking of the 3′-CCA end in the active site cannot proceed until the lysyl–adenylate intermediate is formed and the pyrophosphate byproduct is released. Association of the h-LysRS–tRNALys3 complex with a multi-tRNA synthetase complex-derived peptide shifts the equilibrium toward the 3′-CCA end “docked” conformation and allosterically increases h-LysRS catalytic efficiency. The insights presented here have broad implications for understanding the role of tRNA modifications in protein synthesis, the human aminoacylation machinery, and the growing catalog of metabolic and neurological diseases linked to it.

Devarkar, Swapnil C. (ORCID:000000029271243X)↗
DOE OSTI2024

Accelerating structural dynamics simulations with localised phenomena through matrix compression and projection‐based model order reduction

In this work, a novel approach is introduced for accelerating the solution of structural dynamics problems in the presence of localised phenomena, such as cracks. For this category of problems, conventional projection-based Model Order Reduction (MOR) methods are either limited with respect to the range of system configurations that can be represented or require frequent solutions of the Full Order Model (FOM) to update the low-dimensional spaces, in which solutions are represented. In the proposed approach, low-dimensional spaces, constructed for the healthy structure, are enriched with appropriately selected columns of the flexibility matrix of the system. It can be shown that these spaces contain the solution to the original problem for the static case, while their dimension is much smaller. In order to allow their online construction for arbitrary localised features, the full flexibility matrix of the system should be available. To this end, a hierarchical representation is used for the matrices involved, allowing to compute the flexibility matrix efficiently and with reduced memory requirements. The resulting method offers significant speedups, without sacrificing the flexibility and accuracy of the full order model. The performance and limitations of the approach are studied through a series of examples in structural dynamics.

fracture mechanics↗
DOE OSTI2021

Magnetic properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5

We investigate the physical properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5 . Neutron diffraction, magnetic susceptibility, and specific heat measurements reveal antiferromagnetic order below 1.65 K. The magnetic order is found to be a 2–Q magnetic structure with the magnetic moments lying in the Shastry-Sutherland lattice planes comprising the tetragonal crystal structure of BaNd 2 ZnO 5 . The ordered moment for this structure is 1.9(1) μB per Nd ion. Inelastic neutron scattering measurements reveal that the crystal field ground state doublet is well separated from the first excited state at 8 meV. The crystal field Hamiltonian is determined through simultaneous refinement of models with both the LS coupling and intermediate coupling approximations to the inelastic neutron scattering and magnetic susceptibility data. The ground state doublet indicates that the magnetic moments lie primarily in the basal plane with magnitude consistent with the size of the determined ordered moment.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Two Spacers, One Perovskite: Integrating Ruddlesden–Popper and Dion–Jacobson Halide Perovskites

Hybrid organic–inorganic perovskites are a rapidly developing class of materials due to their desirable properties for optoelectronic applications such as their ease of synthesis, solution-processable film formation, tunable band gap, strong photoluminescence, good charge carrier mobilities, and high defect tolerance. Here, we present a novel 2D perovskite motif that seamlessly integrates the structural elements from both Ruddlesden–Popper and Dion–Jacobson halide perovskites. We demonstrate the incorporation of two different organic spacer cations in an ordered manner in 5 novel 2D perovskite iodide materials. Both a cyclic diammonium cation 3-(aminomethyl)piperidinium (3AMP) and a linear alkyl monoammonium cation (Cn = C n H 2n+4 N, n = 4–8) are present in distinct alternating layers, making the new series (Cn) 2 (3AMP)[PbI 4 ] 2 . The crystallization of these materials was optimized through careful temperature control to obtain precise crystal structures via single-crystal X-ray diffraction (XRD) which confirmed the presence of the two cations in distinct layers. The influence of the two spacers on optical properties including the band gaps and photoluminescence spectra are found to more closely resemble (3AMP)PbI 4 than (Cn) 2 PbI 4 , which can be attributed to the amount of distortion imposed by the 3AMP spacer on the lead iodide layers. The findings are supported by density functional theory calculations. The strong photoelectric response of solution-processed thin films shows the potential of these materials in photodetectors or photovoltaics. This unprecedented amalgamation of RP–DJ in (Cn) 2 (3AMP)[PbI 4 ] 2 in a structurally ordered fashion suggests a potential vastly underexplored phase space of 2D perovskites in which there are chemically different spacers in distinct layers of the structure, providing an additional parameter to tune perovskite properties.

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

Data-driven reduced-order models for port-Hamiltonian systems with operator inference

Hamiltonian operator inference has been developed in Sharma et al. (2022) to learn structure-preserving reduced-order models (ROMs) for Hamiltonian systems. The method constructs a low-dimensional model using only data and knowledge of the functional form of the Hamiltonian. The resulting ROMs preserve the intrinsic structure of the system, ensuring that the mechanical and physical properties of the system are maintained. In this work, we extend this approach to port-Hamiltonian systems, which generalize Hamiltonian systems by including energy dissipation, external input, and output. Based on snapshots of the system’s state and output, together with the information about the functional form of the Hamiltonian, reduced operators are inferred through optimization and are then used to construct data-driven ROMs. To further alleviate the complexity of evaluating nonlinear terms in the ROMs, a hyper-reduction method via discrete empirical interpolation is applied. Accordingly, we derive error estimates for the ROM approximations of the state and output. Lastly, we demonstrate the structure preservation, as well as the accuracy of the proposed port-Hamiltonian operator inference framework, through numerical experiments on a linear mass–spring-damper problem and a nonlinear Toda lattice problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Aperiodically ordered nano-graphene on the quasicrystalline substrate

Designing exotic structures in low dimensions is key in today's quest to tailor novel quantum states in materials with unique symmetries. Particularly intriguing materials in this regard are low dimensional aperiodic structures with non-conventional symmetries that are otherwise forbidden in translation symmetric crystals. In our work, we focus on the link between the structural and electronic properties of aperiodically ordered aromatic molecules on a quasicrystalline surface, which has largely been neglected so far. As an exemplary case, we investigate the self-assembly and the interfacial electronic properties of the nano-graphene-like molecule coronene on the bulk truncated icosahedral (i) Al–Pd–Mn quasicrystalline surface using multiple surface sensitive techniques. We find an aperiodically ordered coronene monolayer (ML) film on the i-Al–Pd–Mn surface that is characterized by the same local motifs of the P1 Penrose tiling model as the bare i-Al–Pd–Mn surface. The electronic valence band structure of the coronene/i-Al–Pd–Mn system is characterized by the pseudogap of thebare i-Al–Pd–Mn, which persists the adsorption of coronene confirming the quasiperiodic nature of the interface. In addition, we find a newly formed interface state of partial molecular character that suggests an at least partial chemical interaction between the molecule and the quasicrystalline surface. We propose that this partial chemical molecule–surface interaction is responsible for imprinting the quasicrystalline order of the surface onto the molecular film.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment

The structure of bulk and nondefective compounds is generally described with crystal models built from well mastered techniques such the analysis of an X-ray diffractogram. The presence of defects, such as cationic vacancies, locally disrupt the long-range order, with the appearance of local structures with order extending only a few nanometers. To probe and describe the electrochemical properties of cation-deficient anatase, we investigated a series of materials having different concentrations of vacancies, i.e., Ti 1–x–y $\square$ x+y O 2–4(x+y) F 4x (OH) 4y , and compared their properties with respect to defect-free stoichiometric anatase TiO2. At first, we characterized the series of materials Ti 1–x–y $\square$ x+y O 2–4(x+y) F 4x (OH) 4y by means of pair distribution function (PDF), 19 F nuclear magnetic resonance (NMR), Raman and X-ray photoelectron spectroscopies, to probe the compositional and structural features. Second, we characterized the insertion electrochemical properties vs metallic lithium where we emphasized the beneficial role of the vacancies on the cyclability of the electrode under high C-rate, with performances scaling with the concentration of vacancies. The improved properties were explained by the change of the lithium insertion mechanism due to the presence of the vacancies, which act as host sites and suppress the phase transition typically observed in pure TiO 2 , and further favor diffusive transport of lithium within the structure. NMR spectroscopy performed on lithiated samples provides evidence for the insertion of lithium in vacancies. By combining electrochemistry and DFT-calculations, we characterized the electrochemical signatures of the lithium insertion in the vacancies. Importantly, we found that the insertion voltage largely depends on the local anionic environment of the vacancy with a fluoride and hydroxide-rich environments, yielding high and low insertion voltages, respectively. Lastly, this work further supports the beneficial use of defects engineering in electrodes for batteries and provides new fundamental knowledge in the insertion chemistry of cationic vacancies as host sites.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Lithospheric structure on Venus from tectonic modelling of compressional features

In previous studies, extensional models were used that incorporated realistic rheologies in order to constrain lithospheric structure. Lithospheric modelling is considered herein from the standpoint of compressional deformation. Features of presumed compressional tectonic origin are reviewed and a model for compressional folding based on lithospheric strength envelopes are presented that include the effects of both brittle and ductile yielding as well as finite elastic strength. Model predictions are then compared with the widths and spacings of observed tectonic features and it is concluded that the results are consistent with a thin crust overlying a relatively stronger mantle, with thermal gradients probably in the range of 10 to 15 deg/km.

Banerdt, W. B.↗
NASA NTRS2011

Temperature Structure of a Coronal Cavity

we analyze the temperature structure of a coronal cavity observed in Aug. 2007. coronal cavities are long, low-density structures located over filament neutral lines and are often seen as dark elliptical features at the solar limb in white light, EUV and x-rays. when these structures erupt they form the cavity portions of CMEs. It is important to establish the temperature structure of cavities in order to understand the thermodynamics of cavities in relation to their three-dimensional magnetic structure. To analyze the temperature we compare temperature ratios of a series of iron lines observed by the Hinode/EUv Imaging spectrometer (EIS). We also use those lines to constrain a forward model of the emission from the cavity and streamer. The model assumes a coronal streamer with a tunnel-like cavity with elliptical cross-section and a Gaussian variation of height along the tunnel len~th. Temperature and density can be varied as a function of altitude both in the cavity and streamer. The general cavity morphology and the cavity and streamer density have already been modeled using data from STEREO's SECCHI/EUVI and Hinode/EIS (Gibson et al 2010 and Schmit & Gibson 2011).

Kucera, T. A.↗