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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Axisymmetric inlet minimum weight design method

An analytical method for determining the minimum weight design of an axisymmetric supersonic inlet has been developed. The goal of this method development project was to improve the ability to predict the weight of high-speed inlets in conceptual and preliminary design. The initial model was developed using information that was available from inlet conceptual design tools (e.g., the inlet internal and external geometries and pressure distributions). Stiffened shell construction was assumed. Mass properties were computed by analyzing a parametric cubic curve representation of the inlet geometry. Design loads and stresses were developed at analysis stations along the length of the inlet. The equivalent minimum structural thicknesses for both shell and frame structures required to support the maximum loads produced by various load conditions were then determined. Preliminary results indicated that inlet hammershock pressures produced the critical design load condition for a significant portion of the inlet. By improving the accuracy of inlet weight predictions, the method will improve the fidelity of propulsion and vehicle design studies and increase the accuracy of weight versus cost studies.

Nadell, Shari-Beth↗
NASA NTRS2016

Yield and Failure Behavior Investigated for Cross-linked Phenolic Resins Using Molecular Dynamics

Molecular dynamics simulations were conducted to fundamentally evaluate the yield and failure behavior of cross-linked phenolic resins at temperatures below the glass transition. Yield stress was investigated at various temperatures, strain rates, and degrees of cross-linking. The onset of non-linear behavior in the cross-linked phenolic structures was caused by localized irreversible molecular rearrangements through the rotation of methylene linkers followed by the formation or annihilation of neighboring hydrogen bonds. The yield stress results, with respect to temperature and strain rate, could be fit by existing models used to describe yield behavior of amorphous glasses. The degree of cross-linking only indirectly influences the maximum yield stress through its influence on the glass transition temperature (Tg), however there is a strong relationship between the degree of cross-linking and the failure mechanism. Low cross-linked samples were able to separate through void formation, whereas the highly cross-linked structures exhibited bond scission.

Stress-strain curves↗
NASA NTRS2018

The Exoplanet Climate Infrared TElescope (EXCITE)

Although there are a large number of known exoplanets, there is little data on their global atmospheric properties.Phase-resolved spectroscopy of transiting planets - continuous spectroscopic observation of planets during their full orbits - probes varied depths and longitudes in the atmospheres thus measuring their three-dimensional thermal and chemical structure and contributing to our understanding of their global circulation. Planets with characteristics suitable for atmospheric characterization have orbits of several days, so phase curve observations are highly resource intensive, especially for shared use facilities. The Exoplanet Climate Infrared TElescope (EXCITE) is a balloon-borne near-infrared spectrometer designed to observe from 1 to 5 meters to perform phase-resolved spectroscopy of hot Jupiters. Flying from a long duration balloon (LDB) platform, EXCITE will have the stability to continuously stare at targets for days at a time and the sensitivity to produce data of the quality and quantity needed to signicantly advance our understanding of exoplanet atmospheres. We describe the EXCITE design and show results of analytic and numerical calculations of the instrument sensitivity. We show that an instrument like EXCITE will produce a wealth of quality data, both complementing and serving as a critical bridge between current and future space-based near infrared spectroscopic instruments.

Spectroscopy↗
NASA NTRSDate not supplied

TPSAS-NF1676L-25778-DND

Testing required to design and certify aircraft structures has increased dramatically with the growth in use of composite materials, and the development time and cost have become an issue as industry looks towards the next generation of aircraft. To help address this challenge, NASA has formed an industry-spanning consortium with the goal of cutting by 30% today's 10-year timeline for developing and certifying composite aircraft structures. This goal is to be achieved by infusing leading edge, physics-based tools to improve the prediction of the response and failure of composite aerospace structures. The plan for the public-private partnership of NASA, the FAA, airframe manufacturers, aircraft engine manufacturers, and several universities is to conduct joint research under the five-year Advanced Composites Program (ACP). The emphasis of the ACP project is the development of damage prediction and non-destructive inspection methods capabilities that are sufficiently reliable to enable a reduction in the element and subcomponent testing necessary for design and certification. ACP also is expected to create rapid design tools to speed preliminary design and improve safety and performance. A critical element of this research concerns the residual strength of postbuckled stiffened panels with impact damage. This presentation will discuss different aspects of ongoing research on the prediction of structural collapse due to skin/stiffener separation. In particular, the presentation will examine issues that must be addressed in the analysis, such as R-curve toughening, delamination migration, bridging, as well as some unexpected effects of ply orientation.

Carlos G Davila↗
DOE OSTI2014

High internal quantum efficiency ultraviolet to green luminescence peaks from pseudomorphic m-plane Al{sub 1−x}In{sub x}N epilayers grown on a low defect density m-plane freestanding GaN substrate

Structural and optical qualities of half-a-μm-thick m-plane Al{sub 1−x}In{sub x}N epilayers grown by metalorganic vapor phase epitaxy were remarkably improved via coherent growth on a low defect density m-plane freestanding GaN substrate prepared by hydride vapor phase epitaxy. All the epilayers unexceptionally suffer from uniaxial or biaxial anisotropic in-plane stress. However, full-width at half-maximum values of the x-ray ω-rocking curves were nearly unchanged as the underlayer values being 80 ∼ 150 arc sec for (101{sup ¯}0) and (101{sup ¯}2) diffractions with both 〈0001〉 and 〈112{sup ¯}0〉 azimuths, as long as pseudomorphic structure was maintained. Such Al{sub 1−x}In{sub x}N epilayers commonly exhibited a broad but predominant luminescence peak in ultraviolet (x ≤ 0.14) to green (x = 0.30) wavelengths. Its equivalent value of the internal quantum efficiency at room temperature was as high as 67% for x = 0.14 and 44% for x = 0.30. Because its high-energy cutoff commonly converged with the bandgap energy, the emission peak is assigned to originate from the extended near-band-edge states with strong carrier localization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The crystal structure and electrical properties of K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4}

Graphical abstract: The relationship between log ρ of K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4} and 1000/T. - Highlights: • K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4} was synthesized using a polymerized complex route. • The semiconductive samples had minimum values of ρ and E{sub a} at x = 0.1. • The log ρ–1/T curve of x = 0.3 consisted of two different lines at 315 K. • The 1/χ − T curve of x = 0.3 had a peak at 325 K. • These results indicated the presence of a charge-ordering transition at x = 0.3. - Abstract: K{sub 2}NiF{sub 4}-type (Ca{sub 2−x}Sm{sub x})MnO{sub 4} (0.02 ≤ x ≤ 0.3) was synthesized using a polymerized complex route. The crystal structure changed from tetragonal to orthorhombic at x = 0.3. A variation in the lattice parameters was explained by the Mn–O(2) distance, the Mn−O(2)−Mn angle, and the (Ca,Sm)–(Ca,Sm) distance. The samples were n-type semiconductors, and the minimum values of electrical resistivity (ρ) and an energy gap (E{sub g}) at x = 0.1 were accounted by electron transfer through an Mn−O(2)−Mn path and overlap between the Mnt{sub 2g} and Op{sub π} orbitals. In the sample (x = 0.3), the log ρ–1000/T curve consisted of two different lines that intersected at ca. 325 K, and a peak was observed at ca. 315 K in the magnetic susceptibility–temperature curve. These results indicated the presence of a charge-ordering (CO) transition at 315–325 K.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Strain effects on domain structures in ferroelectric thin films from phase‐field simulations

Abstract Strain and applied external electric fields are known to influence domain evolution and associated ferroelectric responses in ferroelectric thin films. Here, phase‐field simulations are used to predict equilibrium domain structures and polarization‐field ( P ‐ E ) hysteresis loops of lead zirconate titanate (PZT) thin films under a series of mismatch strains, ranging from strongly tensile to strongly compressive. In particular, the evolution of domains and the P ‐ E curves under different applied strains reveal the mesoscale mechanism, the appearance of in‐plane polarization during domain switching, that is responsible for a relatively small coercive field and remnant polarization. A Landau energy distribution is analyzed to better understand the domain evolution under various strain conditions. The results provide guidance for choice of mismatched strains to yield the desired P ‐ E hysteresis loops and the domain structures.

Lin, Fang‐Yin↗
DOE OSTI2014

A topological analysis of large-scale structure, studied using the CMASS sample of SDSS-III

We study the three-dimensional genus topology of large-scale structure using the northern region of the CMASS Data Release 10 (DR10) sample of the SDSS-III Baryon Oscillation Spectroscopic Survey. We select galaxies with redshift 0.452 < z < 0.625 and with a stellar mass M {sub stellar} > 10{sup 11.56} M {sub ☉}. We study the topology at two smoothing lengths: R {sub G} = 21 h {sup –1} Mpc and R {sub G} = 34 h {sup –1} Mpc. The genus topology studied at the R {sub G} = 21 h {sup –1} Mpc scale results in the highest genus amplitude observed to date. The CMASS sample yields a genus curve that is characteristic of one produced by Gaussian random phase initial conditions. The data thus support the standard model of inflation where random quantum fluctuations in the early universe produced Gaussian random phase initial conditions. Modest deviations in the observed genus from random phase are as expected from shot noise effects and the nonlinear evolution of structure. We suggest the use of a fitting formula motivated by perturbation theory to characterize the shift and asymmetries in the observed genus curve with a single parameter. We construct 54 mock SDSS CMASS surveys along the past light cone from the Horizon Run 3 (HR3) N-body simulations, where gravitationally bound dark matter subhalos are identified as the sites of galaxy formation. We study the genus topology of the HR3 mock surveys with the same geometry and sampling density as the observational sample and find the observed genus topology to be consistent with ΛCDM as simulated by the HR3 mock samples. We conclude that the topology of the large-scale structure in the SDSS CMASS sample is consistent with cosmological models having primordial Gaussian density fluctuations growing in accordance with general relativity to form galaxies in massive dark matter halos.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Local cation order and ferrimagnetism in compositionally complex spinel ferrites

We present an exploration of a family of compositionally complex cubic spinel ferrites featuring combinations of Mg, Fe, Co, Ni, Cu, Mn, and Zn cations, systematically investigating the average and local atomic structures, chemical short-range order, magnetic spin configurations, and magnetic properties. All compositions result in ferrimagnetic average structures with extremely similar local bonding environments; however, the samples display varying degrees of cation inversion and, therefore, differing apparent bulk magnetization. Additionally, first-order reversal curve analysis of the magnetic reversal behavior indicates varying degrees of magnetic ordering and interactions, including potentially local frustration. Finally, reverse Monte Carlo modeling of the spin orientation demonstrates a relationship between the degree of cation inversion and the spin collinearity. Collectively, these observations correlate with differences in synthesis procedures. This work provides a framework for understanding magnetic behavior reported for “high-entropy spinels,” revealing many are likely compositionally complex oxides with differing degrees of chemical short-range order—not meeting the community established criteria for high or medium entropy compounds. Moreover, this work highlights the importance of reporting complete sample processing histories and investigating local to long-range atomic arrangements when evaluating potential entropic mixing effects and assumed property correlations in high entropy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Structure, magnetic and cytotoxic behaviour of solvothermally grown Fe3O4@Au core-shell nanoparticles

Highlights: • Synthesis of Fe{sub 3}O{sub 4}@Au nanoparticles was made by solvothermal method. • The magnetic nanoparticles was analyzed by XRD, FT-IR, magnetization curves and aberration corrected (Cs) STEM techniques. • Core-shell Fe{sub 3}O{sub 4}@Au nanoparticles showed low apoptotic response and therefore lower toxicity. • Fe{sub 3}O{sub 4}@Au nanoparticles with high saturation magnetization showed good biocompatibility. - Abstract: Magnetic nanoparticles (MNPs) have demonstrated their potential in a wide variety of biomedical applications including in tumour hyperthermia. However, highly reactive nature and aggregation affinity of these nanostructures are the principal limitations for such applications. To overcome these limitations, those MNPs should be covered with an inert shell in order to protect the magnetic core against chemical alterations. Considering the noble, chemically inert nature of gold, which also has good biocompatibility, we fabricated chemically stable gold-coated Fe{sub 3}O{sub 4} (Fe{sub 3}O{sub 4}@Au) nanoparticles of 20–50 nm size range with considerable saturation magnetization, though a simple one-pot solvothermal method. The morphology, elemental distribution and the structure of the core-shell nanoparticles were characterized using aberration-corrected (Cs) Scanning transmission electron microscopy (STEM), and compared with their simulated images. Cytotoxicity assay in MDCK cell line was performed to evaluate the biocompatibility of the nanoparticles. The results showed higher cell viability for the Fe{sub 3}O{sub 4}@Au nanoparticles, suggesting their good biocompatibility and potentials for biomedical applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Numerical Investigation of the Effect of Rolling on the Localized Stress and Strain Induction for Wire + Arc Additive Manufactured Structures

Cold rolling can be used in-process or post-process to improve microstructure, mechanical properties and residual stress in directed-energy-deposition techniques, such as the high deposition rate wire + arc additive manufacturing (WAAM) process. Finite element simulations of the rolling process are employed to investigate the effect of rolling parameters, in particular rolling load and roller profile radius on the residual stress field as well as plastic strain distribution for the profiled roller. The results show the response to rolling of commonly used structural metals in WAAM, i.e., AA2319, S335JR steel and Ti-6Al-4V, taking into account the presence of residual stresses. The rolling load leads to changes in the location and the maximum value of the compressive residual stresses, as well as the depth of the compressive residual stresses. However, the roller profile radius only changes the maximum value of these compressive residual stresses. Changing the rolling load influences the equivalent plastic strain close to the top surface of the wall as well as in deeper areas, whereas the influence of the roller profile radius is negligible. The plastic strain distribution is virtually unaffected by the initial residual stresses prior to rolling. Finally, design curves were generated from the simulations for different materials, suggesting ideal rolling load and roller profile combinations for microstructural improvement requiring certain plastic strains at a specific depth of the additive structure.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Mechanism of Influence of Nanocrystal Sizes on the Parameters of the Curves of the Pseudoelastic and Thermoelastic Deformations of Alloys with the Shape Memory Effect

The data available in the literature on the influence of the nanocrystal sizes of alloys with the shape memory effect on the parameters of the curves of their pseudoelastic and thermoelastic deformation are analyzed in the framework of the theory of diffuse martensitic transitions (DMT). The peculiarity of the DMT theory is that it is based on both thermodynamic and kinetic relationships that make it sensitive to the alloy structure on the mesoscopic scale. This enables one to state the functional dependence of the parameter of the martensitic deformation of the nanocrystals on the size of their cross section D. As a result of the analysis, it is found that the coefficient of the strain (martensitic) hardening and the hysteresis of the pseudoelastic strain curves of submicrocrystals of the Ni{sub 54}Fe{sub 19}Ga{sub 27} are changed with D by law 1/D{sup 2}. The temperature range (M{sub s} – M{sub f}) of the martensitic transition in TiNi alloy nanocrystals is changed by analogy law. These dependences are results of the constrained displacement of dislocations of the phase transformation by transverse sizes of the crystal. A kinetic mechanism of the appearance of the critical nanocrystal size D{sub k} is established; the transition of austenite to martensite does not occur at transverse crystal sizes smaller than the critical size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

High-temperature deformation behavior and microstructural characterization of high-Mn bearing titanium-based alloy

Highlights: • The hot deformation behavior of a biomedical low-cost Ti-10Mn alloys was studied. • The flow curves of the alloy display periodic serrations attributed to dynamic strain aging. • Mn alloying increases the activation energy to 243 kJ/mol compared to pure Ti. • The dynamic recovery is more effective than dynamic recrystallization at hot deformation. - Abstract: Ti-Mn alloys exhibit an excellent potential for biomedical applications as well as structural engineering applications, especially in the aerospace industry. In order to control and enhance grain structure during the manufacturing of Ti-Mn alloys and thereby help to enhance mechanical properties such as strength and toughness, we studied the hot-deformation behavior of βTi-10Mn alloys. Isothermal compression tests were conducted in the strain rate range of 0.01–10 s{sup −1} and temperatures in the range of 850–1000 °C using a Gleeble thermomechanical simulator. High-temperature flow stress curves exhibited discontinuous yielding and pronounced periodic serrations without any strain hardening during compression straining of these alloys. Such peculiar behavior of this alloy is due to active dynamic strain aging in its β-bcc structure. Metallographic observations by electron-backscattered diffraction (EBSD) analysis revealed that dynamic recovery (DRV) is more active than continuous dynamic recrystallization (CDRX) when the alloy is deformed at high strain rates, i.e. higher than 1 s{sup −1}. Furthermore, the constitutive behavior of the alloy was modeled and the apparent hot-deformation activation energy of the alloy was estimated to be 243 kJ/mol, which is ~60% higher than the self-diffusion energy in pure titanium.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetism in curved geometries

Curvature impacts physical properties across multiple length scales, ranging from the macroscopic scale, where the shape and size vary drastically with the curvature, to the nanoscale at interfaces and inhomogeneities in materials with structural, chemical, electronic, and magnetic short-range order. In quantum materials, where correlations, entanglement, and topology dominate, the curvature opens the path to novel characteristics and phenomena that have recently emerged and could have a dramatic impact on future fundamental and applied studies of materials. Particularly, magnetic systems hosting non-collinear and topological states and 3D magnetic nanostructures strongly benefit from treating curvature as a new design parameter to explore prospective applications in the magnetic field and stress sensing, microrobotics, and information processing and storage. This Perspective gives an overview of recent progress in synthesis, theory, and characterization studies and discusses future directions, challenges, and application potential of the harnessing curvature for 3D nanomagnetism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Atomic structure and grain shape evolution of nanodiamond during annealing in oxidizing atmosphere from neutron diffraction and MD simulations

In this work, real space pair-distribution function (PDF) analysis in conjunction with molecular dynamics (MD) simulations was applied to characterize crystal structure, shape and surface structure of diamond nanoparticles annealed in air up to 880 °C. MD simulated models of individual nanodiamond particles of various shapes and sizes were used to calculate theoretical radial distribution functions G(r) for powders with different grain size distributions. The calculated curves, showing distinct differences for the explored parameter space, were compared to the experimental G(r) functions obtained from neutron scattering for annealed detonated nanodiamond samples in a search for a model best describing the actual powders. It was found that as-synthesized nanodiamond grains are terminated by equally abundant (100), (110) and (111) crystallographic faces and their structure does not change upon annealing in air up to 280 °C. The shape and size of grains annealed above 480 °C changes due to surface etching. The etching rate differs between crystals faces and depends on temperature, resulting in the observed differences in grain shape. Below 680 °C the share of the (110) facets gradually increases and at 680 °C the grains become rhombic dodecahedra terminated solely by (110) surfaces. Further increase of the annealing temperature promotes formation of (111) surfaces and at 880 °C the preferred grain shape becomes an octahedron terminated by a variant of (111) surfaces possessing three dangling sp3 bonds per atom. At lower temperatures all grains become smaller and the size distribution moves towards the lower values. Furthermore, as the annealing temperature increases, the smallest grains disappear entirely and the average grain size grows back.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Multi-mode quasi-static excitation for systems with nonlinear joints

Finite element models can be used to model and predict the hysteresis and energy dissipation exhibited by nonlinear joints in structures. As a result of the nonlinearity, the frequency and damping of a mode is dependent on excitation amplitude, and when the modes remain uncoupled, quasi-static modal analysis has been shown to efficiently predict this behavior. However, in some cases the modes have been observed to couple such that the frequency and damping of one mode is dependent on the amplitude of other modes. To model the interactions between modes, one must integrate the dynamic equations in time, which is several orders of magnitude more expensive than quasi-static analysis. This work explores an alternative where quasi-static forces are applied in the shapes of two or more modes of vibration simultaneously, and the resulting load–displacement curves are used to deduce the effect of other modes on the effective frequency and damping of the mode in question. This methodology is demonstrated on a simple 2D cantilever beam structure with a single bolted joint which exhibits micro-slip nonlinearity over a range of vibration amplitudes. The predicted frequency and damping are compared with those extracted from a few expensive dynamic simulations of the structure, showing that the quasi-static approach produces reasonable albeit highly conservative bounds on the observed dynamics. This framework is also demonstrated on a 3D structure where dynamic simulations are infeasible.

42 ENGINEERING↗
DOE OSTI2022

XMM-Newton and TESS observations of the highly variable polar V496 UMa

We studied the temporal and spectral behavior of V496 UMa from the optical to the X-ray regimes. Methods. We used archival XMM-Newton and TESS observations obtained in 2017 and 2019, respectively, to perform a spectral and timing analysis of the highly variable magnetic CV. Results. The light curves of the TESS and XMM-Newton satellites reveal a double-humped pattern modulated with the periodicity of 91.058467 ± 0.00001 min. V496 UMa displays a two-pole accretion geometry in the high accretion state. X-ray spectra from these regions are composed of thermal plasma radiation and soft blackbody components with almost identical temperatures and a total accretion rate of $\dot{M}$ = 1.4(8) × 10 -11 M ⊙ yr -1 . The X-ray centers of the humps show longitudinal shifts of -18° and 4°, and shifts around photometric phase zero of -172° and -186°, for the main hump and second hump, respectively. The long-term ZTF light curves reveal high and low accretions states. Low-state ZTF and SDSS photometric data are consistent with an 0.8 M ⊙ white dwarf at 10 000 K and a main-sequence donor star with a spectral type of M5.0 at a Gaia determined distance of 758 pc. Conclusions. V496 UMa is a very bright polar in X-rays when it is in the high state. Due to its unusual geometric structure, mass accretion onto the second accretion pole is interrupted occasionally. This discontinuous behavior does not follow a certain pattern in time and has been observed so far only in the high state. The X-ray light curves display clear evidence of an accretion stream at the photometric phase of φ = 0.81, which does not show up in optical light curves. An accurate period was derived using the combined TESS and XMM-Newton data, which differs by 3.8 σ from published results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

How to GIWAXS: Grazing Incidence Wide Angle X‐Ray Scattering Applied to Metal Halide Perovskite Thin Films

Abstract The frequency of reports utilizing synchrotron‐based grazing incident wide angle X‐ray scattering (GIWAXS) to study metal halide perovskite thin films has exploded recently, as this technique has proven invaluable for understanding several structure‐property relationships that fundamentally limit optoelectronic performance. The GIWAXS geometry and temporal resolution are also inherently compatible with in situ and operando setups (including ISOS protocols), and a relatively large halide perovskite research community has deployed GIWAXS to unravel important kinetic and dynamic features in these materials. Considering its rising popularity, the aim here is to accelerate the required learning curve for new experimentalists by clearly detailing the underlying analytical concepts which can be leveraged to maximize GIWAXS studies of polycrystalline thin films and devices. Motivated by the vast range of measurement conditions offered, together with the wide variety of compositions and structural motifs available (i.e., from single‐crystal and polycrystalline systems, to quantum dots and layered superlatices), a comprehensive framework for conducting effective GIWAXS experiments is outlined for different purposes. It is anticipated that providing a clear perspective for this topic will help elevate the quality of future GIWAXS studies—which have become routine—and provide the impetus required to develop novel GIWAXS approaches to resolve unsettled scientific questions.

36 MATERIALS SCIENCE↗