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At least 541 records · Page 30

On Efficient Multigrid Methods for Materials Processing Flows with Small Particles

Multiscale modeling of materials requires simulations of multiple levels of structural hierarchy. The computational efficiency of numerical methods becomes a critical factor for simulating large physical systems with highly desperate length scales. Multigrid methods are known for their superior efficiency in representing/resolving different levels of physical details. The efficiency is achieved by employing interactively different discretizations on different scales (grids). To assist optimization of manufacturing conditions for materials processing with numerous particles (e.g., dispersion of particles, controlling flow viscosity and clusters), a new multigrid algorithm has been developed for a case of multiscale modeling of flows with small particles that have various length scales. The optimal efficiency of the algorithm is crucial for accurate predictions of the effect of processing conditions (e.g., pressure and velocity gradients) on the local flow fields that control the formation of various microstructures or clusters.

Thomas, James↗

Molecular modeling of polymer composite-analyte interactions in electronic nose sensors

We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.

NASA Center JPL↗

Simulation of etch pit formation through active sites in carbon fiber micro-structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation as a result of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gasses such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

Simulation of Etch Pit Formation in DSMC Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

DSMC Simulation of Etch Pit Formation Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

Fatigue life and crack growth prediction methodology

The capabilities of a plasticity-induced crack-closure model and life-prediction code to predict fatigue crack growth and fatigue lives of metallic materials are reviewed. Crack-tip constraint factors, to account for three-dimensional effects, were selected to correlate large-crack growth rate data as a function of the effective-stress-intensity factor range (delta(K(sub eff))) under constant-amplitude loading. Some modifications to the delta(K(sub eff))-rate relations were needed in the near threshold regime to fit small-crack growth rate behavior and endurance limits. The model was then used to calculate small- and large-crack growth rates, and in some cases total fatigue lives, for several aluminum and titanium alloys under constant-amplitude, variable-amplitude, and spectrum loading. Fatigue lives were calculated using the crack growth relations and microstructural features like those that initiated cracks. Results from the tests and analyses agreed well.

Newman, J. C., Jr.↗

Fatigue life and crack growth prediction methodology

This paper reviews the capabilities of a plasticity-induced crack-closure model and life-prediction code to predict fatigue crack growth and fatigue lives of metallic materials. Crack-tip constraint factors, to account for three-dimensional effects, were selected to correlate large-crack growth rate data as a function of the effective stress-intensity factor range (Delta K(sub eff)) under constant amplitude loading. Some modifications to the Delta K(sub eff)-rate relations were needed in the near threshold regime to fit small-crackgrowth rate behavior and endurance limits. The model was then used to calculate small- and large-crack growth rates, and in some cases total fatigue lives, for several aluminum and titanium alloys under constant-amplitude, variable-amplitude, and spectrum loading. Fatigue lives were calculated using the crack-growth relations and microstructural features like those that initiated cracks. Results from the tests and analyses agreed well.

Newman, J. C., Jr.↗

Flows of Wet Foamsand Concentrated Emulsions

The aim of this project was is to advance a microstructural understanding of foam and emulsion flows. The dynamics of individual surfactant-covered drops and well as the collective behavior of dilute and concentrated was explored using numerical simulations. The long-range goal of this work is the formulation of reliable microphysically-based statistical models of emulsion flows.

Nemer, Martin B.↗

Isopycnic Phases and Structures in H2O/CO2/Ethoxylated Alcohol Surfactant Mixtures

Ternary mixtures of H2O and CO2 with ethoxylated alcohol (C(i)E(j)) surfactants can form three coexisting liquid phases at conditions where two of the phases have the same density (isopycnic phases). Isopycnic phase behavior has been observed for mixtures containing the surfactants C8E5, C10E6, and C12E6, but not for those mixtures containing either C4E1 or CgE3. Pressure-temperature (PT) projections for this isopycnic three-phase equilibrium were determined for H2O/CO2/C8E5 and H2O/CO2/C10E6 mixtures at temperatures from approximately 25 to 33 C and pressures between 90 and 350 bar. As a preliminary to measuring the microstructure in isopycnic three component mixtures, phase behavior and small angle neutron scattering (SANS) experiments were performed on mixtures of D2O/CO2/ n-hexaethyleneglycol monododecyl ether (C12E6) as a function of temperature (25-31 C), pressure (63.1-90.7 bar), and CO2 composition (0-3.9 wt%). Parameters extracted from model fits of the SANS spectra indicate that, while micellar structure remains essentially unchanged, critical concentration fluctuations increase as the phase boundary and plait point are approached.

Paulaitis, Michael E.↗

SiC Fiber-Reinforced Celsian Composites

Celsian is a promising matrix material for fiber-reinforced composites for high temperature structural applications. Processing and fabrication of small diameter multifilament silicon carbide tow reinforced celsian matrix composites are described. Mechanical and microstructural properties of these composites at ambient and elevated temperatures are presented. Effects of high-temperature exposures in air on the mechanical behavior of these composites are also given. The composites show mechanical integrity up to ~1100 C but degrade at higher temperatures in oxidizing atmospheres. A model has been proposed for the degradation of these composites in oxidizing atmospheres at high temperatures.

Bansal, Narottam P.↗

Synthesis, Microstructure and Properties of Nickel Aluminide Foams

Two Ph.D. students were involved in the project: Mr. Christopher Schuh (part-time, graduated in Spring 2001) and Ms. Andrea Hodge (full-time, graduated Summer 2002). One post-doctoral fellow, Dr. Heeman Choe, worked full-time on the project from July to December 2002. A new process to aluminize and chromize nickel foams was created. A kinetic aluminization model was developed. Creep testing was conducted on the foams. A finite-element model and a simplified analytical model for foam creep were produced. Four articles were written: one is published, two are accepted for publication, and one is in preparation. Ms. Hodge spent four months at NASA Glenn Research Center (9-12/2001 and 2-3/2002) under the supervision of Dr. Nathal. She conducted research on NiAl foam fabrication, mechanical testing and numerical modeling. She gave a talk at the ASM annual conference in November 2001 and presented her results at NASA in December 2001.

Dunand, David C.↗

Analytical Simulation of Effects of Local Mechanisms and Microstructure on Creep Response of Unidirectional Ceramic Matrix Composites

A micromechanics-based method has been developed to analyze the creep response of uncoated ceramic matrix minicomposites. Although the global stress level at which the creep response is analyzed is lower than the composite proportional limit, local stresses are assumed to be high enough that localized damage is present in the composite in the form of matrix microcracks. To model the composite creep response, including the effects of matrix cracking, a fiber shear lag-based methodology is employed. In this approach, stresses are assumed to vary in the fiber as a function of time and distance from the crack plane. The varying stresses are then used to compute the overall creep strain for the composite. Various assumptions regarding the level of matrix microcracking in the composite and the level of creep in the fiber and matrix in various portions of the composite unit cell are also examined. The creep response of the fiber is modeled using a linear Burgers model. The model is applied to a SiCf/SiC unidirectional minicomposite system. The computed creep results are compared to experimentally obtained values. The effects of the local fiber volume fraction on the overall creep response of the composite are also studied. This work will allow increased understanding of the key material damage mechanisms and load sharing that take place during creep conditions and can be expanded to provide improved analysis methods for full macrocomposites.

Micromechanics↗

Analytical Simulation of the Effects of Local Mechanisms and Microstructure on the Creep Response of Unidirectional Ceramic Matrix Composites

A micromechanics-based method has been developed to analyze the creep response of uncoated ceramic matrix minicomposites. Although the global stress level at which the creep response is analyzed is lower than the composite proportional limit, local stresses are assumed to be high enough that localized damage is present in the composite in the form of matrix microcracks. To model the composite creep response including the effects of matrix cracking, a fiber shear lag-based methodology is employed. In this approach, stresses are assumed to vary in the fiber as a function of time and distance from the crack plane. The varying stresses are then used to compute the overall creep strain for the composite. Various assumptions regarding the level of matrix microcracking in the composite, and the level of creep in the fiber and matrix in various portions of the composite unit cell, are also examined. The creep response of the fiber is modeled using a linear Burgers model. The model is applied to a SiC f /SiC unidirectional minicomposite system. The computed creep results are compared to experimentally obtained values. The effects of the local fiber volume fraction on the overall creep response of the composite are also studied. This work will allow increased understanding of the key material damage mechanisms and load sharing that take place during creep conditions and can be expanded to provide improved analysis methods for full macrocomposites.

Micromechanics↗

Three-Dimensional Reconstruction of Defects and Structures in Additively Manufactured Parts with Automated Serial Sectioning

Metal additive manufacturing (AM) processes have been demonstrated to be effective at reducing costs and lead times associated with complex components for space flight applications. Laser powderbed fusion (L-PBF) is a commonly used AM technology due to the ability to produce complex parts with fine feature resolution in a wide variety of alloys and applications. L-PBF, like many other manufacturing processes, can produce minor flaws in parts when in nominal operation as well as process-escape defects when process abnormalities occur. The effects of the flaws and methods of detecting the flaws are a subject of interest to understand the difficulties in detecting these flaws with current technology and how much risk the flaws or defects pose to potential flight parts. Using a RoboMet.3D automated serial sectioning system, seeded defects as well as minor process flaws can be imaged and reconstructed in three dimensions to compare to non-destructive evaluation (NDE) techniques, such as x-ray computed tomography (CT), neutron CT, and in-situ monitoring. The RoboMet automates the metallography process by automatically grinding, polishing, and imaging samples in a single system and providing the control data for NDE comparisons to know the real size of defects built into coupons. These comparisons provide an understanding behind the technological limitations of the NDE techniques for different alloys. The same serial sectioning methods have also been utilized to characterize the surfaces of parts to reconstruct the surfaces and take measurements of internal features not easily examined with non-destructive methods. Using the RoboMet, fine lattice structures built with L-PBF have been characterized to determine the actual thicknesses of struts and density of the lattice structures. These structures have been used as finer build supports for the L-PBF process, designs for fine catalysts, and other design considerations for small components. The RoboMet data helps to inform the modeling and design efforts around these fine components.

additive manufacturing↗

Mechanical alloying, characterization and consolidation of Ti-Al-Ni alloys

Mechanical alloying is being investigated as a processing route for the production of aluminide intermetallics. This program involves powder production and characterization, consolidation and thermal treatments and determination of microstructure-property relationships. An attritor mill is being used to produce powder in lots up to 1000 grams and the processing parameters are being systematically varied to establish the optimum milling conditions. The mill is being instrumented to generate data related to the processing to provide a basis for theoretical modeling. Powder is being characterized using thermal analysis, optical and electron microscopy and X-ray diffraction. Particle size distributions and powder density are being determined. Consolidation of the powder is being approached in several different ways including, cold isostatic pressing, sintering, extrusion and hot pressing. The results of the program so far will be presented and future directions discussed.

Nash, P.↗

TPSAS-NF1676L-13792-DND

Extreme structural requirements of future aerospace vehicles motivate the development of new, ultra-durable materials and game-changing methodologies for material certification and sustainment. Computational simulations spanning many orders of magnitude in length and time scales—from the nanoscale of underlying damage processes to the larger scales of continuum cracks—are being developed to support these requirements. Results of these simulations are used to deduce key aspects of material response to loads and environments, including: - The microstructural mechanics that govern metal fatigue crack initiation and growth - The variety and complexity of the dislocation-precipitate interac- tions that underpin plastic behavior and damage evolution - The energetic principles that govern the interaction of water with crack surfaces within a structural component - The mechanics of grain boundary separation Modeling the physics behind these metal fatigue behaviors is extremely complex, and requires intensive, high-fidelity simulations. The knowledge gained through these simulations, however, is forming the keystone for advanced material design and will enable development of more capable, reliable structures for aerospace vehicles.

Jacob Hochhalter↗

Estimates of the size of the particles in the rings of Saturn and their cosmogonic implications

Observations are discussed which are consistent with the ring particles having a very high single scattering albedo at radio wavelengths, with multiple scattering effects being important. Comparison of scattering calculations for ice and silicate particles with the radio and radar observations imply a mean particle radius of about 1 cm. The ice bands observed in the near-infrared reflectivity spectra of the rings are formed by scattering within a microstructure on the surface of the ring particles, with the scattering centers being 25 to 125 micrometers in size. The Poynting-Robertson effect has caused a significant spiraling-in of the ring particles, probably resulting in a broadening of the rings. The inferred mean size is consistent with a model in which meteoroid impacts have caused a substantial reduction in the mean particle size from its initial value.

Pollack, J. B.↗

Formation of Leading-Edge Pinholes in the Space Shuttle Wings Investigated

The space shuttle wing leading edge and nose cap are composed of a carbon/carbon composite that is protected by silicon carbide. The coefficient of thermal expansion mismatch leads to cracks in the silicon carbide. The outer coating of the silicon carbide is a sodium-silicate-based glass that becomes fluid at the shuttles high reentry temperatures and fills these cracks. Small pinholes roughly 0.1 mm in diameter have been observed on these materials after 12 or more flights. These pinholes have been investigated by researchers at the NASA Johnson Space Center, Rockwell International, the Boeing Company, Lockheed Martin Corporation, and the NASA Glenn Research Center at Lewis Field to determine the possible sources and the extent of damage. A typical pinhole is illustrated in the photomicrographs. These pinholes are found primarily on the wing leading edges and not on the nose cap, which is covered when the orbiter is on the launch pad. The pinholes are generally associated with a bead of zincrich glass. Examination of the orbiter and launch structure indicates that weathering paint on the launch structure leads to deposits of zinc-containing paint flakes on the wing leading edge. These may become embedded in the crevices of the wing leading edge and form the observed zinc-rich glass. Laboratory experiments indicate that zinc oxide reacts vigorously with the glass coating on the silicon carbide. Thus, it is likely that this is the reaction that leads to pinhole formation (Christensen, S.V.: Reinforced Carbon/Carbon Pin Hole Formation Through Zinc Oxide Attack. Rockwell International Internal Letter, RDW 96 057, May 1996). Cross-sectional examination of pinholes suggests that they are enlarged thermal expansion mismatch cracks. This is illustrated in the photomicrographs. A careful microstructural analysis indicates that the pinhole walls consist of layers of zinc-containing glass. Thus, pinholes are likely formed by zinc oxide particles lodging in crevices and forming a corrosive zinc-rich glass that enlarges existing cracks. Having established the likely source of the pinholes, we next needed to model the damage. Our concern was that if a pinhole went through the silicon carbide to the carbon/carbon substrate, oxygen would have a clear path to oxidize the carbon at high temperatures. This possibility was examined with studies in a laboratory furnace. An ultrasonic drill was used to make artificial pinholes in a sample of protected carbon/carbon. After exposure, the specimens were weighed and cross-sectioned to quantify the extent of oxidation below the pinhole. The results at higher temperatures showed good agreement with a simple diffusion-control model. This model is based on the two-step oxidation of carbon to carbon monoxide and carbon dioxide. The fluxes are illustrated in the final figure. The model indicates a strong dependence on pinhole diameter. For smaller diameters and short times, the oxidation of carbon is very limited.

Jacobson, Nathan S.↗