Search NASA⌕ Search

SEARCH · Search NASA

Results for “microstructural modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21

Computational Study of Oxidative Etch Pitting in FiberForm and the Effect on Its Material Properties

Erosion of carbon due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface, and have much higher reactivity compared to average non-defective sites. Thus, these active sites are first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these “active” sites. In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, a commonly used base material within many thermal protection system materials (TPS). The microstructure of virgin FiberForm obtained directly from X-ray microtomography experiments is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported within the Porous Microstructure Analysis (PuMA) software and various material properties such as elasticity, thermal conductivity, and permeability are computed. The variation of these properties as a result of the complex evolution of the surface topology due to etch pit formation is studied and analyzed. Furthermore, the effect of pitting is compared to the case of shrinking fibers, which has been the standard for modelling ablation of carbon structures; and significant differences are observed. Thus, such a physically realistic modeling of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to etch pit growth. This will ultimately improve our understanding of the failure modes in these materials due to ablation.

Carbon Ablators↗

Characterization of SiCSiC Composites in Support of Environmental Degradation Modeling

SiCSiC (silicon carbide fiber reinforced silicon carbide) composites are candidate materials for various turbine engine applications because of their high specific strength and good creep and oxidation resistance at elevated temperatures. This study was performed to characterize the microstructure of a melt infiltrated (MI) SiCSiC, and to examine environmental degradation mechanisms occurring in precracked MI SiCSiC CMC specimens under tensile stresses of 30 ksi or less at 815C in dry air or argon. In addition, the oxidation of the BN interface was characterized at815C, and crack opening displacement as a function of stress measurements were made. This material characterization is being performed to obtain data to support NASA GRC modeling of SiCSiC environmental degradation. The comparison of experimentally-observed phenomena with model predictions can lead to improved understanding of material degradation mechanisms.

SiC/SiC composites↗

Toughening of Boron Carbide Composites by Hierarchical Microstructuring

Due to a unique combination of properties including high hardness, low density, chemical and thermal stability, semi-conductivity, and high neutron absorption, boron carbide (B4C) is a potential candidate for various applications involving extreme environment. However, B4C’s current application is limited because of its low fracture toughness. In this study, a hierarchical microstructure design with features including TiB2 grains and graphite platelets was used to toughen B4C by simultaneously utilizing multiple toughening mechanisms including crack deflection, bridging, and micro-crack toughening. Using field-assisted sintering technology (FAST), B4C composites with dense and hierarchical microstructure were fabricated. Previously, the fracture toughness of fabricated B4C composites was measured at micro-scale using micro-indentation to have up to 56% improvement. In this work, the B4C composites’ fracture toughness was characterized at macro-scale using four-point bending methods and compared with previous results obtained at micro-scale. Micromechanics modeling of fracture behaviors for B4C-TiB2 composites was also performed to evaluate the contributions from experimentally observed toughening mechanisms. From four-point bending tests, B4C composites reinforced with both TiB2 grains (~15 vol%) and graphite platelets (~8.7 vol%) exhibited the highest fracture toughness enhancement from 2.38 to 3.65 MPa∙m^(1/2). The measured values were lower than those obtained using micro-indentation but maintained the general trends. The discrepancy between the indentation and four-point bending test results originated from the complex deformation behaviors triggered by the high contact load during indentation tests. Through micromechanics modeling, introduced thermal residual stress due to thermal expansion mismatch between B4C and TiB2, and weak interphases at B4C-TiB2 boundaries were identified as the main causes for experimentally observed toughness enhancement. These results proved the effectiveness of hierarchical microstructure designs for B4C toughening and can provide reference for the future design of B4C composites with optimized microstructures for further fracture toughness enhancement.

composites↗

Surface studies with (clean) supported metal particles and clusters

Small particles are ideal for combined studies with surface analytical and electron microscopy/diffraction methods. In this way crystallography, microstructure, morphology, physical stability, and electronic structure can be correlated directly with chemical reactivity. Various integrated experimental approaches for conducting model studies with UHV-evaporated particles have been successfully developed; they entail the use of TPD, AES, XPS, and work function measurements on one hand and standard TEM/TED, in-situ TEM/TED, and in-situ STED/TEM techniques on the other hand. The essential features of four particular experimental approaches are discussed and a selection of representative results is presented to illustrate the potential usefulness of such studies in the field of catalysis.

Poppa, H. R.↗

Enhancement of superplastic formability in a high strength aluminum alloy

A 7475 aluminum alloy was developed for superplastic forming (SPF). By lowering the Fe and Si contents in this alloy significantly below their normal levels and optimizing the thermomechanical processing to produce sheet, over 2000 percent thickness strain to failure was obtained. The microstructure, elevated-temperature uniaxial and biaxial tension, and cavitation behavior of the alloy were determined. In addition, a constitutive model was used to form a generic structural shape from which mechanical test specimens were removed and post-SPF characteristics were evaluated. The constitutive model included both material strain hardening and strain rate hardening effects, and was verified by accurately predicting forming cycles which resulted in successful component forming. Stress-life fatigue, stress rupture, and room and elevated temperature tensile tests were conducted on the formed material.

Agrawal, S. P.↗

Investigation of the Formation of Topologically Close Packed Phase Instabilities in Nickel-Based Superalloy Rene N6

Topologically close packed (TCP) phase instability in third generation Ni-base superalloys is understood to hinder component performance when used in high-temperature jet engine applications. The detrimental effects on high temperature performance from these brittle phases includes weakening of the Ni-rich matrix through the depletion of potent solid solution strengthening elements. Thirty-four compositional variations of polycrystalline Rene N6 were defined from a design-of-experiments approach and then cast, homogenized, and finally aged to promote TCP formation. Our prior work reported on the results of the multiple retression modeling of these alloys in order to predict the volume fraction of TCP. This paper will present further regression modeling results on these alloys in order to predict the occurrence of TCP in third generation Ni-base superalloy microstructures. Kinetic results are also discussed.

Ritzert, Frank↗

Lunar and Planetary Science XXXVI, Part 14

Contents include the following: Destruction of Presolar Silicates by Aqueous Alteration Observed in Murchison CM2 Chondrite. Generation of Chondrule Forming Shock Waves in Solar Nebula by X-Ray Flares. TEM and NanoSIMS Study of Hydrated/Anhydrous Phase Mixed IDPs: Cometary or Asteroidal Origin? Inflight Calibration of Asteroid Multiband Imaging Camera Onboard Hayabusa: Preliminary Results. Corundum and Corundum-Hibonite Grains Discovered by Cathodoluminescence in the Matrix of Acfer 094 Meteorite. Spatial Extent of a Deep Moonquake Nest A Preliminary Report of Reexamination. Modal Abundances of Carbon in Ureilites: Implications for the Petrogenesis of Ureilites. Trapped Noble Gas Components and Exposure History of the Enstatite Chondrite ALH84206. Deep-seated Crustal Material in Dhofar Lunar Meteorites: Evidence from Pyroxene Chemistry. Numerical Investigations of Kuiper Belt Binaries. Dust Devils on Mars: Effects of Surface Roughness on Particle Threshold. Hecates Tholus, Mars: Nighttime Aeolian Activity Suggested by Thermal Images and Mesoscale Atmospheric Model Simulations. Are the Apollo 14 High-Al Basalts Really Impact Melts? Garnet in the Lunar Mantle: Further Evidence from Volcanic Glass Beads. The Earth/Mars Dichotomy in Mg/Si and Al/Si Ratios: Is It Real? Dissecting the Polar Asymmetry in the Non-Condensable Gas Enhancement on Mars: A Numerical Modeling Study. Cassini VIMS Preliminary Exploration of Titan s Surface Hemispheric Albedo Dichotomy. An Improved Instrument for Investigating Planetary Regolith Microstructure. Isotopic Composition of Oxygen in Lunar Zircons Preliminary Design of Visualization Tool for Hayabusa Operation. Size and Shape Distributions of Chondrules and Metal Grains Revealed by X-Ray Computed Tomography Data. Properties of Permanently Shadowed Regolith. Landslides in Interior Layered Deposits, Valles Marineris, Mars: Effects of Water and Ground Shaking on Slope Stability. Mars: Recent and Episodic Volcanic, Hydrothermal, and Glacial Activity Revealed by Mars Express High Resolution Stereo Camera (HRSC). The Cratering Record of the Saturnian Satellites Phoebe, Tethys, Dione and Iapetus in Comparison: First Results from Analysis of the Cassini ISS Imaging Data. Joint Crossover Solutions of Altimetry and Image Data on 433 Eros. The Martian Soil as a Geochemical Sink for.

Source record↗

Synchrotron Tomography of SiC/SiC Minicomposites to Observe and Quantify Damage Evolution

Composite performance is dictated by its microstructure – property relationships. For example, the characteristic response of ceramic matrix composites (CMCs) depends on the distribution of its constituents (i.e. fibers, matrix, fiber coatings, matrix cracks, and voids). Micro x-ray computed tomography (micro-CT) provides an opportunity to characterize the distribution of these constituents and to quantify the CMC microstructure in three-dimensions. To this end, In-situ micro-CT was performed at the Advanced Light Source (ALS) in combination with uniaxial tensile testing on SiC/SiC minicomposites. This work will describe the tensile load-dependent damage evolution within the microstructure of the SiC/SiC CMC specimens. The results from the micro-CT datasets can be used to develop micromechanical models that effectively capture damage initiation and progression in CMCs. In addition, details regarding the segmentation tools and techniques employed to understand and quantify these large tomography datasets will be presented.

Ashley Hilmas↗

Simulation of Oxidative Etch Pit Formation and Growth on FiberForm

Erosion of carbon surfaces due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface and have much higher reactivity compared to average non-defective sites. Thus, these active sites are the first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective, and increasing their reactivity, thus leading to localized carbon removal around these “active” sites. In this manner, these highly reactive defects serve as nucleation sites for the formation and growth of etch pits, with detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in the presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, the precursor substrate of the PICA Thermal Protection System (TPS) material. The microstructure of virgin FiberForm obtained directly from X-ray microtomography scans is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported into the Porous Microstructure Analysis (PuMA) software and various material properties such as thermal conductivity, elasticity, and permeability are computed. The variation of these properties because of the complex evolution of the surface topology due to the formation of etch pits is studied and analyzed. Furthermore, the effect of pitting is compared to the case of uniform radial shrinking of fibers, which has been the standard for modelling ablation of carbon structures, and significant differences are observed. Thus, a physically realistic model of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to the growth of etch pits. This will ultimately improve our understanding of the failure modes in these materials due to ablation.

DSMC↗

Simulation of Oxidative Etch Pit Formation and Growth on FiberForm

Erosion of carbon surfaces due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface and have much higher reactivity compared to average non-defective sites. Thus, these active sites are the first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective, and increasing their reactivity, thus leading to localized carbon removal around these “active” sites. In this manner, these highly reactive defects serve as nucleation sites for the formation and growth of etch pits, with detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in the presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, the precursor substrate of the PICA Thermal Protection System (TPS) material. The microstructure of virgin FiberForm obtained directly from X-ray microtomography scans is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported into the Porous Microstructure Analysis (PuMA) software and various material properties such as thermal conductivity, elasticity, and permeability are computed. The variation of these properties because of the complex evolution of the surface topology due to the formation of etch pits is studied and analyzed. Furthermore, the effect of pitting is compared to the case of uniform radial shrinking of fibers, which has been the standard for modelling ablation of carbon structures, and significant differences are observed. Thus, a physically realistic model of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to the growth of etch pits. This will ultimately improve our understanding of the failure modes in these materials due to ablation.

DSMC↗

Microstructural design of fiber composites

The optimum performance design of composite microstructures is discussed. The forces driving progress in fiber composites are examined, and recent developments in the mechanics of laminated composites are surveyed, emphasizing thick laminates, hygrothermal effects, and thermal transient effects. The strength of continuous-fiber composites is discussed, presenting analyses of local load redistribution due to fiber breakages and treatments of statistical tensile strength theories. Modes of failure of laminated composites are examined. Elastic, physical, and viscoelastic properties as well as the strength and fracture behavior of short-fiber composites are studied, and it is shown how the performance of composites can be controlled by selecting material systems and their geometric distributions. 2D textile structural composites based on woven, knitted, and braided preforms are considered, and techniques for analyzing and modeling the thermomechanical behavior of 2D textile composites are presented. Recent developments in the processing of 3D textile preforms are introduced and the processing-microstructure relationship is demonstrated. Finite elastic deformation of flexible composites is addressed.

Chou, Tsu-Wei↗

Effects of Thermomechanical History on the Tensile Behavior of Nitinol Ribbon

Shape memory alloys (SMAs) have enormous potential for a wide variety of applications. A large body of work exists on the characterization of the microstructure and stress-strain behavior of these alloys, Nitinol (NiTi) in particular. However, many attributes of these materials are yet to be fully understood. Previous work at NASA Langley Research Center (LaRC) has included fabrication of hybrid composite specimens with embedded Nitinol actuators and modeling of their thermomechanical behavior. An intensive characterization effort has been undertaken to facilitate fundamental understanding of this alloy and to promote implementation of Nitinol in aerospace applications. Previous work revealed attributes of the Nitinol ribbon that were not easily rationalized with existing data in the literature. In particular, tensile behavior at ambient temperature showed significant dependence on the thermomechanical history prior to testing. The present work is focused on characterizing differences in the microstructure of Nitinol ribbons exposed to four different thermomechanical histories and correlation of the microstructure with tensile properties. Differential scanning calorimetry (DSC) and x-ray diffraction (XRD) analysis were employed to rationalize the microstructures present after exposure to various thermomechanical histories. Three of the Nitinol ribbon conditions were reversible upon heating (in the DSC) through the reverse transformation temperature (A(sub f) to transform the microstructure to austenite. However, the prior thermomechanical conditioning for the Nitinol ribbon that reflected the entire fabrication procedure (4% thermal cycle condition) was found to have an irreversible effect on the microstructure, as it remained unchanged after repeated complete thermal cycles. Tensile tests were conducted to determine the effect of prior thermomechancal conditioning on both the tensile behavior of the Nitinol ribbons and the stress state of the microstructure. The stress-strain behavior of the Nitinol actuators appears to be governed by the interplay between two major variables: namely, microstructural constituents such as the R-phase and the martensite; and the stress state of these constituents (whether twinned with low residual stresses, or detwinned with high residual stresses). The most significant difference in the stress-strain behavior of the four conditions, the critical stress required to achieve an initial stress plateau, was found to depend on both the amount and stress state (twinned or detwinned) of R-phase present in the initial microstructure. Thus, the effect of prior thermomechanical processing is critical to the resulting tensile behavior of the Nitinol actuator. For numerical modeling inputs one must take into account the entire fabrication process on the Nitinol actuator.

Lach, Cynthia L.↗

Surface tension and contact angles: Molecular origins and associated microstructure

Gradient theory converts the molecular theory of inhomogeneous fluid into nonlinear boundary value problems for density and stress distributions in fluid interfaces, contact line regions, nuclei and microdroplets, and other fluid microstructures. The relationship between the basic patterns of fluid phase behavior and the occurrence and stability of fluid microstructures was clearly established by the theory. All the inputs of the theory have molecular expressions which are computable from simple models. On another level, the theory becomes a phenomenological framework in which the equation of state of homogeneous fluid and sets of influence parameters of inhomogeneous fluids are the inputs and the structures, stress tensions and contact angles of menisci are the outputs. These outputs, which find applications in the science and technology of drops and bubbles, are discussed.

Davis, H. T.↗

The gravitational effects on liquid phase sintering

The liquid-phase sintering of heavy-metal PM alloys containing 78, 83, 88, 93, or 98 wt pct W plus Ni and Fe in a 7:3 ratio is investigated experimentally. The focus is on the potential role of gravity in phenomena such as specimen slumping and distortion, liquid migration, and microstructural coarsening. The results are presented in extensive graphs and micrographs and discussed in detail, and a preliminary grain-growth model is developed which accounts for the effects of contiguity and the volume fraction of solid.

Kipphut, C. M.↗

Turbine Blade Alloy

The High Speed Research Airfoil Alloy Program developed a fourth-generation alloy with up to an +85 F increase in creep rupture capability over current production airfoil alloys. Since improved strength is typically obtained when the limits of microstructural stability are exceeded slightly, it is not surprising that this alloy has a tendency to exhibit microstructural instabilities after high temperature exposures. This presentation will discuss recent results obtained on coated fourth-generation alloys for subsonic turbine blade applications under the NASA Ultra-Efficient Engine Technology (UEET) Program. Progress made in reducing microstructural instabilities in these alloys will be presented. In addition, plans will be presented for advanced alloy development and for computational modeling, which will aid future alloy development efforts.

MacKay, Rebecca↗

A Multiphysics Study to Improve Specific Energy of Primary Batteries for Low Temperature Operation for Deep Space Missions

Several lander missions on the outer planets such as Europa, Enceladus, and Titan require electrical power to operate scientific and communication equipment. The traditional power generation methods, such as a photovoltaic array, are not feasible as their efficiency drops significantly at these vast distances. The novel radioisotope power systems are not practical today based on current lander designs and the effectiveness of these systems. To perform in situ science on distant planets, a high specific energy battery (>700 Wh/kg) needs to operate for about 480 hours under cold temperatures (-40C or 0C) [1]. While a primary battery such as Li-CFx can provide high specific energy at room temperature, its specific capacity decreases significantly at low temperatures. One of the causes for this drop is low ion and electrical conductivity, and slower reaction kinetics. Slower transport and facile kinetics lead to an increase in the battery’s resistance and higher voltage drops during the cell operation, thus reducing specific capacity. Both the transport and kinetics show a strong dependence on temperature. Thus, a small temperature rise can lead to an increase in the reaction rate and ion conductivity; since the temperature, cell resistance, and specific capacity are interdependent. A conventional battery model accounts for ohmic, thermodynamic, and, electrochemical, and chemical decomposition heating. The ohmic heating can be controlled by designing a resistive microstructure and varying the ratios of the active materials [2]. The kinetics can be improved by increasing the surface area, reducing the particle size, or adding a catalyst. These parameters are often optimized to achieve high specific energy at room temperatures. A similar optimization study is not available at low temperatures and for a primary (high specific energy) battery. For this presentation, we will explore the effect of geometrical, microstructural, and material properties on optimal specific capacity at low temperatures through multiphysics simulations. The ion transport resistance depends on the porosity and the tortuosity of an electrode and the separator.

M. Mehta↗

A 3D Printable Alloy Designed for Extreme Environments

Multiprincipal-element alloys are an enabling class of materials owing to their impressive mechanical and oxidation-resistant properties, especially in extreme environments. Here we develop a new oxide-dispersion-strengthened NiCoCr-based alloy using a model-driven alloy design approach and laser-based additive manufacturing. This oxide-dispersion-strengthened alloy, called GRX-810, uses laser powder bed fusion to disperse nanoscale Y 2 O 3 particles throughout the microstructure without the use of resource-intensive processing steps such as mechanical or in situ alloying. We show the successful incorporation and dispersion of nanoscale oxides throughout the GRX-810 build volume via high-resolution characterization of its microstructure. The mechanical results of GRX-810 show a twofold improvement in strength, over 1,000-fold better creep performance and twofold improvement in oxidation resistance compared with the traditional polycrystalline wrought Ni-based alloys used extensively in additive manufacturing at 1,093 °C. The success of this alloy highlights how model-driven alloy designs can provide superior compositions using far fewer resources compared with the ‘trial-and-error’ methods of the past. These results showcase how future alloy development that leverages dispersion strengthening combined with additive manufacturing processing can accelerate the discovery of revolutionary materials.

Timothy M. Smith↗

Numerical Modeling and In-Situ Observations of the Dynamics of the Solid/Liquid Interface Morphology During Directional Solidification of Alloys

The departure from interface planarity and the subsequent evolution to a periodic array of cells or dendrites is a fundamental process that characterizes most microstructures in solidified alloys. The growing demand for high quality alloys and semiconductor crystals requires a precise methodology to predict and subsequently control both the interface morphology and the distribution of impurities, additives, and phases in the grown crystal. Apart from its practical significance, the study of morphological evolution has also been viewed as a means to unearth a general paradigm for pattern formation in nature. A previously developed 2D numerical model for the solid/liquid interface tracking has been further refined and used to simulate the time-evolution of the perturbations on the interface. The dynamics of the local growth velocity, interface undercooling and solute concentration at the interface has been theoretically predicted by means of the numerical model for Al-Cu and Pb-Sn alloys. The model shows that perturbations with a wavelengths, lambda greater than a critical wavelength lambda(sub c) continue to grow in time whereas perturbations with lambda < lambda(sub c) cease to propagate. The model further predicts that under certain conditions perturbation can also propagate along the interface. Comparison of these predictions with existing theories of pattern formation and experimental results will be discussed.

Catalina, Adrian V.↗