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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Probabilistic Fiber Composite Micromechanics

Probabilistic composite micromechanics methods are developed that simulate expected uncertainties in unidirectional fiber composite properties. These methods are in the form of computational procedures using Monte Carlo simulation. The variables in which uncertainties are accounted for include constituent and void volume ratios, constituent elastic properties and strengths, and fiber misalignment. A graphite/epoxy unidirectional composite (ply) is studied to demonstrate fiber composite material property variations induced by random changes expected at the material micro level. Regression results are presented to show the relative correlation between predictor and response variables in the study. These computational procedures make possible a formal description of anticipated random processes at the intra-ply level, and the related effects of these on composite properties.

Stock, Thomas A.↗
DOE OSTI2020

Analysis of tow architecture variability in biaxially braided composite tubes

Spatial deviations in composite braid unit cell dimensions limit mechanical performance and are challenging to model. Full-field measurements of the irregular tow placement in biaxially braided composite tubes were obtained by digital image correlation. Analysis of the reconstructed tow paths showed long-range defects along the hoop direction with short-range defects dominating the biased tow direction. A route toward numerical simulation of the composite response is established by developing a 3D model of the composite using the measured tow trajectories. Finally, a comparison to previously-published triaxial braid results indicates axial tows work to constrain unit cells dimensions along the hoop direction.

3-Dimensional reinforcement↗
DOE OSTI2015

Atomic chemistry in turbulent astrophysical media. I. EFFECT OF Atomic cooling

We carry out direct numerical simulations of turbulent astrophysical media that explicitly track ionizations, recombinations, and species-by-species radiative cooling. The simulations assume solar composition and follows the evolution of hydrogen, helium, carbon, oxygen, sodium, and magnesium, but they do not include the presence of an ionizing background. In this case, the medium reaches a global steady state that is purely a function of the one-dimensional turbulent velocity dispersion, σ{sub 1D}, and the product of the mean density and the driving scale of turbulence, nL. Our simulations span a grid of models with σ{sub 1D} ranging from 6 to 58 km s{sup −1} and nL ranging from 10{sup 16} to 10{sup 20} cm{sup −2}, which correspond to turbulent Mach numbers from M = 0.2 to 10.6. The species abundances are well described by single-temperature estimates whenever M is small, but local equilibrium models can not accurately predict the global equilibrium abundances when M≳1. To allow future studies to account for nonequilibrium effects in turbulent media, we gather our results into a series of tables, which we will extend in the future to encompass a wider range of elements, compositions, and ionizing processes.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1999

Quantifying Uncertainties in the Thermo-Mechanical Properties of Particulate Reinforced Composites

The present paper reports results from a computational simulation of probabilistic particulate reinforced composite behavior. The approach consists use of simplified micromechanics of particulate reinforced composites together with a Fast Probability Integration (FPI) technique. Sample results are presented for a Al/SiC(sub p)(silicon carbide particles in aluminum matrix) composite. The probability density functions for composite moduli, thermal expansion coefficient and thermal conductivities along with their sensitivity factors are computed. The effect of different assumed distributions and the effect of reducing scatter in constituent properties on the thermal expansion coefficient are also evaluated. The variations in the constituent properties that directly effect these composite properties are accounted for by assumed probabilistic distributions. The results show that the present technique provides valuable information about the scatter in composite properties and sensitivity factors, which are useful to test or design engineers.

Mital, Subodh K.↗
NASA NTRS2005

Computational Simulation of Damage Propagation in Three-Dimensional Woven Composites

Three dimensional (3D) woven composites have demonstrated multi-directional properties and improved transverse strength, impact resistance, and shear characteristics. The objective of this research is to develop a new model for predicting the elastic constants, hygrothermal effects, thermomechanical response, and stress limits of 3D woven composites; and to develop a computational tool to facilitate the evaluation of 3D woven composite structures with regard to damage tolerance and durability. Fiber orientations of weave and braid patterns are defined with reference to composite structural coordinates. Orthotropic ply properties and stress limits computed via micromechanics are transformed to composite structural coordinates and integrated to obtain the 3D properties. The various stages of degradation, from damage initiation to collapse of structures, in the 3D woven structures are simulated for the first time. Three dimensional woven composite specimens with various woven patterns under different loading conditions, such as tension, compression, bending, and shear are simulated in the validation process of this research. Damage initiation, growth, accumulation, and propagation to fracture are included in these simulations.

Huang, Dade↗
DOE OSTI2023

What do far-infrared spectra of solitary water in “water-in-solvent” systems reveal about water’s solvation and dynamics?

Classical molecular dynamics simulations of water in ionic and dipolar solvents were used to interpret the far-infrared (FIR) rotation/libration spectra of “solitary water” in terms of water’s rotational dynamics and interactions with solvents. Seven solvents represented by nonpolarizable all-atom force fields and a series of idealized variable-charge solvents were used to span the range of solvent polarities (hydrogen bonding) studied experimentally. Simulated spectra capture the solvent dependence observed, as well as the relationship between the frequencies of water libration (νL) and OH stretching bands (νOH). In more strongly interacting solvents, simulated νL are ∼20% higher than those of experiment. In all solvents, the simulated spectra are composites of rotational motions about the two axes perpendicular to water’s dipole moment, and the different frequencies of these two motions are responsible for the breadth of the libration band and the bimodal shape observed in halide ionic liquids. Simulations overestimate the separation of these two components in most solvents. The character of water rotational motions changes markedly with solvent polarity, from quasi-free rotation in nonpolar and weakly polar solvents to highly constrained libration in strongly hydrogen bonding environments. The changeover to librational motions dominating the spectrum occurs between solvents such as benzene (νL ∼ 250 cm−1) and acetonitrile (νL ∼ 400 cm−1). For solvents in the latter category, the mean frequency of the experimental FIR band provides a direct measure of mean-squared torques and, therefore, force constants associated with interactions constraining water’s librational motion.

Chemistry↗
DOE OSTI2019

Probing Electric Double-Layer Composition via in Situ Vibrational Spectroscopy and Molecular Simulations.

At an electrode, ions and solvent accumulate to screen charge, leading to a nanometer-scale electric double layer (EDL). The EDL guides electrode passivation in batteries, while in (super)capacitors, it determines charge storage capacity. Despite its importance, quantification of the nanometer-scale and potential-dependent EDL remains a challenging problem. Here, we directly probe changes in the EDL composition with potential using in situ vibrational spectroscopy and molecular dynamics simulations for a Li-ion battery electrolyte (LiClO 4 in dimethyl carbonate). The accumulation rate of Li + ions at the negative surface and ClO 4 - ions at the positive surface from vibrational spectroscopy compares well to that predicted by simulations using a polarizable APPLE&P force field. The ion solvation shell structure and ion-pairing within the EDL differs significantly from the bulk, especially at the negative electrode, suggesting that the common rationalization of interfacial electrochemical processes in terms of bulk ion solvation should be applied with caution.

25 ENERGY STORAGE↗
DOE OSTI2016

Mechanical and Thermal Properties of Irradiated SiC/SiC Composites: Bridge Continuum Models With Atomic-level Simulations

Due to their excellent high-temperature fracture, creep, corrosion, and thermal shock resistance in addition to their high thermo-chemical stability, reduced activation, and low radiation- induced after heat, silicon carbide-fiber/silicon carbide-matrix (SiC/SiC) composites are being developed as structural materials for first wall and breeder blanket applications in advanced fusion power plants. In such applications these materials will be subjected to a high heat flux that imposes extremely stringent requirements on the minimum thermal conductivity needed. Also, SiC offers a number of potential applications for both electron devices and structural components as an inert matrix for the transmutation of plutonium and as cladding material for gas-cooled fission reactor. There has been a rapid growth of activity in the experimental study and the modeling of energetic-beam interactions, such as those encountered in ion-beam processing or in irradiation environments, on the structure and properties of SiC. During the last decade, understanding the basics of ion-solid interaction and irradiation damage has led to significant developments in state-of-the-art atomic-level, meso-scale simulations and continuum models of mechanical and thermal property prediction, and these different scales studies have dramatically advanced the understanding of defect and defect processes in a number of materials, ranging from metals to semiconductors to insulators. Recent progress in multi-scale simulations of fundamental ion-solid interactions, defect generation and defect evolution in SiC, as well as its property degradation under irradiation, is reviewed, which will provide significant insights into the radiation resistance behavior of SiC and SiC/SiC composites. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2018

Composite Nature of Layered Hybrid Perovskites: Assessment on Quantum and Dielectric Confinements and Band Alignment

Layered hybrid organic–inorganic perovskites (HOPs) have re-emerged as potential technological solutions for next-generation photovoltaic and optoelectronic applications. Their two-dimensional (2D) nature confers them a significant flexibility and results in the appearance of quantum and dielectric confinements. Such confinements are at the origin of their fascinating properties, and understanding them from a fundamental level is of paramount importance for optimization. Here, we provide an in-depth investigation of band alignments of 2D HOP allowing access to carriers’ confinement potentials. 2D HOPs are conceptualized as composite materials in which pseudoinorganic and -organic components are defined. In this way, computational modeling of band alignments becomes affordable using first-principles methods. First, we show that the composite approach is suitable to study the position-dependent dielectric profiles and enables clear differentiation of the respective contributions of inorganic and organic components. Then we apply the composite approach to a variety of 2D HOPs, assessing the impact on the confinement potentials of well and barrier thickness, of the nature of the inorganic well, and of structural transitions. Using the deduced potentials, we further discuss the limitations of the effective mass approximation, scrutinizing the electronic properties of this family of composite materials. Our simulations demonstrate type-I dominant band alignment in 2D HOPs. Finally, we outline design principles on band alignment toward achieving specific optoelectronic properties. Furthermore, we present alternative theoretical methods to inspect the properties of 2D hybrid perovskites and expect that the composite approach will be applicable to other classes of layered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Development and Modeling of a Novel Self-Assembly Process for Polymer and Polymeric Composite Nanoparticles

Extensive computational simulations and experiments have been used to investigate the structure, dynamics and resulting photophysical properties of a number para-phenylenevinylene (PPV) based polymers and oligomers. These studies have shown how the morphology and structure are controlled to a large extent by the nature of the solute-solvent interactions in the initial solution phase preparation. A good solvent such as dichloromethane generates non-compact structures with more of a defect-extended chain like morphology while a bad solvent such as toluene leads to compact organized and folded structures with rod-like morphologies. Secondary structural organization is induced by using the solution phase structures to generate solvent-free single molecule nanoparticles. These nanoparticles are very compact and rod shaped, consisting of near-cofacial ordering of the conjugated PPV chain backbones between folds located at tetrahedral defects (sp3 C-C bonds). The resulting photophysical properties exhibit a significant enhancement in the photoluminescence quantum yield, lifetime, and stability. In addition, the single molecule nanoparticles have Gaussian-like emission spectra with discrete center frequencies that are correlated to a conjugation length, allowing the design of nanoparticles which luminesces at a particular frequency. We followed a similar approach and applied a comparable methodology in our recent work on polythiophenes in order to study the effect of polymer architecture on nanoscale assembly. Unlike linear chains of comparable size, we observed aggregation of the bottlebrush architecture of poly(norbornene)-g-poly(3-hexylthiophene) (PNB-g-P3HT) after the freeze-drying and dissolution processes. The behavior can be attributed to a significant enhancement in the number of π-π interactions between grafted P3HT side chains.

Sumpter, Bobby G.↗
DOE OSTI2022

Contaminant Transport Simulation with the P2R Model for the Composite Analysis Base Case

In order to meet the requirements of U.S. Department of Energy (DOE) in DOE O 435.1, Radioactive Waste Management, a composite analysis (CA) must be completed for the Central Plateau at the Hanford Site. The updated Hanford CA requires estimates of fate and transport of radionuclides in the groundwater from multiple sources within and downgradient of the Central Plateau.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1992

Simulated orbital impact of multi-wall composite structures

This paper presents the results of an experimental investigation in which several different composite materials were tested for their ability to prevent the perforation of multiwall systems under hypervelocity projectile impact. The damage in the composite specimens is compared to the damage in aluminum specimens of similar geometry and weight caused by hypervelocity projectiles with similar impact energies. The analysis shows that using composite materials in combination with metallic materials in multiwall structures can increase the protection afforded a spacecraft against perforation by orbital debris over that provided by traditional, purely metallic multiwall structures.

Walker, Eve J.↗
NASA NTRS1998

Simulation of Conformal Spiral Slot Antennas on Composite Platforms

During the course of the grant, we wrote and distributed about 12 reports and an equal number of journal papers supported fully or in part by this grant. The list of reports (title & abstract) and papers are given in Appendices A and B. This grant has indeed been instrumental in developing a robust hybrid finite element method for the analysis of complex broadband antennas on doubly curved platforms. Previous to the grant, our capability was limited to simple printed patch antennas on mostly planar platforms. More specifically: (1) mixed element formulations were developed and new edge-based prisms were introduced; (2) these elements were important in permitting flexibility in geometry gridding for most antennas of interest; (3) new perfectly matched absorbers were introduced for mesh truncations associated with highly curved surfaces; (4) fast integral algorithms were introduced for boundary integral truncations reducing CPU time from O(N-2) down to O(N-1.5) or less; (5) frequency extrapolation schemes were developed for efficient broadband performance evaluations. This activity has been successfully continued by NASA researchers; (6) computer codes were developed and extensively tested for several broadband configurations. These include FEMA-CYL, FEMA-PRISM and FEMA-TETRA written by L. Kempel, T. Ozdemir and J. Gong, respectively; (7) a new infinite balun feed was designed nearly constant impedance over the 800-3000 MHz operational band; (8) a complete slot spiral antenna was developed, fabricated and tested at NASA Langley. This new design is a culmination of the projects goals and integrates the computational and experimental efforts. this antenna design resulted in a U.S. patent and was revised three times to achieve the desired bandwidth and gain requirements from 800-3000 MHz.

Volakis, J. L.↗
NASA NTRS1965

Landing Characteristics of the Apollo Spacecraft with Deployed Heat Shield Impact Attenuation Systems

An experimental investigation was made to determine the landing characteristics of a 1/4-scale dynamic model of the Apollo spacecraft command module using two different active (heat shield deployed prior to landing) landing systems for impact attenuation. One landing system (configuration 1) consisted of six hydraulic struts and eight crushable honeycomb struts. The other landing system (configuration 2), consisted of four hydraulic struts and six strain straps. Tests made on water and the hard clay-gravel composite landing surfaces simulated parachute letdown (vertical) velocities of 23 ft/sec (7.0 m/s) (full scale). Landings made on the sand landing surface simulated vertical velocities of 30 ft/sec (9.1 m/s). Horizontal velocities of from 0 to 50 ft/sec (15 m/s) were simulated. Landing attitudes ranged from -30'degrees to 20 degrees, and the roll attitudes were O degrees, 90 degrees, and 180 degrees. For configuration 1, maximum normal accelerations at the vehicle center of gravity for landings on water, sand, and the hard clay-gravel composite surface were 9g, 20g, and 18g, respectively. The maximum normal center-of-gravity acceleration for configuration 2 which was landed only on the hard clay-gravel landing surface was approximately 19g. Accelerations for configuration 2 were generally equal to or lower than accelerations for configuration 1 and normal.

EXPERIMENTS↗
NASA NTRS1992

Fiber shape effects on metal matrix composite behavior

The effects of different fiber shapes on the behavior of a SiC/Ti-15 metal matrix composite is computationally simulated. A three-dimensional finite element model consisting of a group of nine unidirectional fibers is used in the analysis. The model is employed to represent five different fiber shapes: a circle, an ellipse, a kidney, and two different cross shapes. The distribution of microstresses and the composite material properties, such as moduli, coefficients of thermal expansion, and Poisson's ratios, are obtained from the finite element analysis for the various fiber shapes. Comparisons of these results are used to determine the sensitivity of the composite behavior to the different fiber shapes and assess their potential benefits. No clear benefits result from different fiber shapes though there are some increases/decreases in isolated properties.

Brown, H. C.↗
DOE OSTI2018

Application of IR Thermography with Thermal Diffusivity Analysis for Detection of Plies Displacement in CFRP Composites

This paper presents an efficient nondestructive testing (NDT) method for detection of plies displacement in carbon fiber reinforced plastic (CFRP) composites using the active thermography technique. To assess the capability of the proposed technique for detection of plies displacement, the CFRP composite specimens with simulated fault were designed and manufactured. The IR thermography measurements were conducted using two-sided experimental arrangement. From recorded sequences of thermal images, the temperature variations versus time plots were extracted to obtain the maximum thermal contrasts. For quantitative interpretation of the results, the thermal diffusivity values for each composite material were determined and related to the fiber volume fraction. The experimental results showed that the thermal diffusivity increases with an increase of fiber volume fraction; further, the values of thermal diffusivity are specimen thickness dependent. The obtained values of thermal diffusivity varied from 1.5 × 10{sup −7} m{sup 2}/s (for 3.2 mm composite with 8.5 vol.% carbon fiber) to 2.6 × 10{sup −7} m{sup 2}/s (for 7.7 mm composite with 34.1 vol.% carbon fiber). On the basis of these results, it was concluded that the active thermography combined with thermal diffusivity analysis can be considered as a reliable NDT technique for detection of plies displacement in CFRP composites.

36 MATERIALS SCIENCE↗