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- All Subjects: Mechanical Engineering
- All Subjects: engineering
- Creators: Oswald, Jay
- Creators: Peralta, Pedro
Description
ABSTRACT The behavior of the fission products, as they are released from fission events during nuclear reaction, plays an important role in nuclear fuel performance. Fission product release can occur through grain boundary (GB) at low burnups; therefore, this study simulates the mass transport of fission gases in a 2-D GB network to look into the effects of GB characteristics on this phenomenon, with emphasis on conditions that can lead to percolation. A finite element model was created based on the microstructure of a depleted UO2 sample characterized by Electron Backscattering Diffraction (EBSD). The GBs were categorized into high (D2), low (D1) and bulk diffusivity (Dbulk) based on their misorientation angles and Coincident Site Lattice (CSL) types. The simulation was run using different diffusivity ratios (D2/Dbulk) ranging from 1 to 10^8. The model was set up in three ways: constant temperature case, temperature gradient effects and window methods that mimic the environments in a Light Water Reactor (LWR). In general, the formation of percolation paths was observed at a ratio higher than 10^4 in the measured GB network, which had a 68% fraction of high diffusivity GBs. The presence of temperature gradient created an uneven concentration distribution and decreased the overall mass flux. Finally, radial temperature and fission gas concentration profiles were obtained for a fuel pellet in operation using an approximate 1-D model. The 100 µm long microstructurally explicit model was used to simulate, to the scale of a real UO2 pellet, the mass transport at different radial positions, with boundary conditions obtained from the profiles. Stronger percolation effects were observed at the intermediate and periphery position of the pellet. The results also showed that highest mass flux happens at the edge of a pellet at steady state to accommodate for the sharp concentration drop.
ContributorsLim, Harn Chyi (Author) / Peralta, Pedro (Thesis advisor) / Dey, Sandwip (Committee member) / Sieradzki, Karl (Committee member) / Arizona State University (Publisher)
Created2011
Description
Dealloying induced stress corrosion cracking is particularly relevant in energy conversion systems (both nuclear and fossil fuel) as many failures in alloys such as austenitic stainless steel and nickel-based systems result directly from dealloying. This study provides evidence of the role of unstable dynamic fracture processes in dealloying induced stress-corrosion cracking of face-centered cubic alloys. Corrosion of such alloys often results in the formation of a brittle nanoporous layer which we hypothesize serves to nucleate a crack that owing to dynamic effects penetrates into the un-dealloyed parent phase alloy. Thus, since there is essentially a purely mechanical component of cracking, stress corrosion crack propagation rates can be significantly larger than that predicted from electrochemical parameters. The main objective of this work is to examine and test this hypothesis under conditions relevant to stress corrosion cracking. Silver-gold alloys serve as a model system for this study since hydrogen effects can be neglected on a thermodynamic basis, which allows us to focus on a single cracking mechanism. In order to study various aspects of this problem, the dynamic fracture properties of monolithic nanoporous gold (NPG) were examined in air and under electrochemical conditions relevant to stress corrosion cracking. The detailed processes associated with the crack injection phenomenon were also examined by forming dealloyed nanoporous layers of prescribed properties on un-dealloyed parent phase structures and measuring crack penetration distances. Dynamic fracture in monolithic NPG and in crack injection experiments was examined using high-speed (106 frames s-1) digital photography. The tunable set of experimental parameters included the NPG length scale (20-40 nm), thickness of the dealloyed layer (10-3000 nm) and the electrochemical potential (0.5-1.5 V). The results of crack injection experiments were characterized using the dual-beam focused ion beam/scanning electron microscopy. Together these tools allow us to very accurately examine the detailed structure and composition of dealloyed grain boundaries and compare crack injection distances to the depth of dealloying. The results of this work should provide a basis for new mathematical modeling of dealloying induced stress corrosion cracking while providing a sound physical basis for the design of new alloys that may not be susceptible to this form of cracking. Additionally, the obtained results should be of broad interest to researchers interested in the fracture properties of nano-structured materials. The findings will open up new avenues of research apart from any implications the study may have for stress corrosion cracking.
ContributorsSun, Shaofeng (Author) / Sieradzki, Karl (Thesis advisor) / Jiang, Hanqing (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2012
Description
Shock loading is a complex phenomenon that can lead to failure mechanisms such as strain localization, void nucleation and growth, and eventually spall fracture. Studying incipient stages of spall damage is of paramount importance to accurately determine initiation sites in the material microstructure where damage will nucleate and grow and to formulate continuum models that account for the variability of the damage process due to microstructural heterogeneity. The length scale of damage with respect to that of the surrounding microstructure has proven to be a key aspect in determining sites of failure initiation. Correlations have been found between the damage sites and the surrounding microstructure to determine the preferred sites of spall damage, since it tends to localize at and around the regions of intrinsic defects such as grain boundaries and triple points. However, considerable amount of work still has to be done in this regard to determine the physics driving the damage at these intrinsic weak sites in the microstructure. The main focus of this research work is to understand the physical mechanisms behind the damage localization at these preferred sites. A crystal plasticity constitutive model is implemented with different damage criteria to study the effects of stress concentration and strain localization at the grain boundaries. A cohesive zone modeling technique is used to include the intrinsic strength of the grain boundaries in the simulations. The constitutive model is verified using single elements tests, calibrated using single crystal impact experiments and validated using bicrystal and multicrystal impact experiments. The results indicate that strain localization is the predominant driving force for damage initiation and evolution. The microstructural effects on theses damage sites are studied to attribute the extent of damage to microstructural features such as grain orientation, misorientation, Taylor factor and the grain boundary planes. The finite element simulations show good correlation with the experimental results and can be used as the preliminary step in developing accurate probabilistic models for damage nucleation.
ContributorsKrishnan, Kapil (Author) / Peralta, Pedro (Thesis advisor) / Mignolet, Marc (Committee member) / Sieradzki, Karl (Committee member) / Jiang, Hanqing (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2013
Description
The focus of this investigation includes three aspects. First, the development of nonlinear reduced order modeling techniques for the prediction of the response of complex structures exhibiting "large" deformations, i.e. a geometrically nonlinear behavior, and modeled within a commercial finite element code. The present investigation builds on a general methodology, successfully validated in recent years on simpler panel structures, by developing a novel identification strategy of the reduced order model parameters, that enables the consideration of the large number of modes needed for complex structures, and by extending an automatic strategy for the selection of the basis functions used to represent accurately the displacement field. These novel developments are successfully validated on the nonlinear static and dynamic responses of a 9-bay panel structure modeled within Nastran. In addition, a multi-scale approach based on Component Mode Synthesis methods is explored. Second, an assessment of the predictive capabilities of nonlinear reduced order models for the prediction of the large displacement and stress fields of panels that have a geometric discontinuity; a flat panel with a notch was used for this assessment. It is demonstrated that the reduced order models of both virgin and notched panels provide a close match of the displacement field obtained from full finite element analyses of the notched panel for moderately large static and dynamic responses. In regards to stresses, it is found that the notched panel reduced order model leads to a close prediction of the stress distribution obtained on the notched panel as computed by the finite element model. Two enrichment techniques, based on superposition of the notch effects on the virgin panel stress field, are proposed to permit a close prediction of the stress distribution of the notched panel from the reduced order model of the virgin one. A very good prediction of the full finite element results is achieved with both enrichments for static and dynamic responses. Finally, computational challenges associated with the solution of the reduced order model equations are discussed. Two alternatives to reduce the computational time for the solution of these problems are explored.
ContributorsPerez, Ricardo Angel (Author) / Mignolet, Marc (Thesis advisor) / Oswald, Jay (Committee member) / Spottswood, Stephen (Committee member) / Peralta, Pedro (Committee member) / Jiang, Hanqing (Committee member) / Arizona State University (Publisher)
Created2012
Description
Recently, the use of zinc oxide (ZnO) nanowires as an interphase in composite materials has been demonstrated to increase the interfacial shear strength between carbon fiber and an epoxy matrix. In this research work, the strong adhesion between ZnO and carbon fiber is investigated to elucidate the interactions at the interface that result in high interfacial strength. First, molecular dynamics (MD) simulations are performed to calculate the adhesive energy between bare carbon and ZnO. Since the carbon fiber surface has oxygen functional groups, these were modeled and MD simulations showed the preference of ketones to strongly interact with ZnO, however, this was not observed in the case of hydroxyls and carboxylic acid. It was also found that the ketone molecules ability to change orientation facilitated the interactions with the ZnO surface. Experimentally, the atomic force microscope (AFM) was used to measure the adhesive energy between ZnO and carbon through a liftoff test by employing highly oriented pyrolytic graphite (HOPG) substrate and a ZnO covered AFM tip. Oxygen functionalization of the HOPG surface shows the increase of adhesive energy. Additionally, the surface of ZnO was modified to hold a negative charge, which demonstrated an increase in the adhesive energy. This increase in adhesion resulted from increased induction forces given the relatively high polarizability of HOPG and the preservation of the charge on ZnO surface. It was found that the additional negative charge can be preserved on the ZnO surface because there is an energy barrier since carbon and ZnO form a Schottky contact. Other materials with the same ionic properties of ZnO but with higher polarizability also demonstrated good adhesion to carbon. This result substantiates that their induced interaction can be facilitated not only by the polarizability of carbon but by any of the materials at the interface. The versatility to modify the magnitude of the induced interaction between carbon and an ionic material provides a new route to create interfaces with controlled interfacial strength.
ContributorsGalan Vera, Magdian Ulises (Author) / Sodano, Henry A (Thesis advisor) / Jiang, Hanqing (Committee member) / Solanki, Kiran (Committee member) / Oswald, Jay (Committee member) / Speyer, Gil (Committee member) / Arizona State University (Publisher)
Created2013
Description
Gels are three-dimensional polymer networks with entrapped solvent (water etc.). They bear amazing features such as stimuli-responsive (temperature, PH, electric field etc.), high water content and biocompatibility and thus find a lot of applications. To understand the complex physics behind gel's swelling phenomenon, it is important to build up fundamental mechanical model and extend to complicated cases. In this dissertation, a coupled large deformation and diffusion model regarding gel's swelling behavior is presented. In this model, free-energy of the total gel is constituted by polymer stretching energy and polymer-solvent mixing energy. In-house nonlinear finite element code is implemented with fast computational capability. Complex phenomenon such as buckling and healing of cracked gel by swelling are studied. Due to the wide coverage of polymeric materials and solvents, solvent diffusion in gels not only follows Fickian diffusion law where concentration map is continuous but also follows non-Fickian diffusion law where concentration map shows high gradient. Phenomenological model with viscoelastic polymer constitutive and concentration dependent diffusivity is created. The model well captures this special diffusion phenomenon such as sharp diffusion front and distinctive swollen and unswollen region.
ContributorsZhang, Jiaping (Author) / Jiang, Hanqing (Thesis advisor) / Peralta, Pedro (Committee member) / Dai, Lenore (Committee member) / Rajan, Subramaniam D. (Committee member) / Chawla, Nikhilesh (Committee member) / Arizona State University (Publisher)
Created2012
Description
The following is a report that will evaluate the microstructure of the nickel-based superalloy Hastelloy X and its relationship to mechanical properties in different load conditions. Hastelloy X is of interest to the company AORA because its strength and oxidation resistance at high temperatures is directly applicable to their needs in a hybrid concentrated solar module. The literature review shows that the microstructure will produce different carbides at various temperatures, which can be beneficial to the strength of the alloy. These precipitates are found along the grain boundaries and act as pins that limit dislocation flow, as well as grain boundary sliding, and improve the rupture strength of the material. Over time, harmful precipitates form which counteract the strengthening effect of the carbides and reduce rupture strength, leading to failure. A combination of indentation and microstructure mapping was used in an effort to link local mechanical behavior to microstructure variability. Electron backscatter diffraction (EBSD) and energy dispersive spectroscopy (EDS) were initially used as a means to characterize the microstructure prior to testing. Then, a series of room temperature Vickers hardness tests at 50 and 500 gram-force were used to evaluate the variation in the local response as a function of indentation size. The room temperature study concluded that both the hardness and standard deviation increased at lower loads, which is consistent with the grain size distribution seen in the microstructure scan. The material was then subjected to high temperature spherical indentation. Load-displacement curves were essential in evaluating the decrease in strength of the material with increasing temperature. Through linear regression of the unloading portion of the curve, the plastic deformation was determined and compared at different temperatures as a qualitative method to evaluate local strength.
ContributorsCelaya, Andrew Jose (Author) / Peralta, Pedro (Thesis director) / Solanki, Kiran (Committee member) / Barrett, The Honors College (Contributor) / Mechanical and Aerospace Engineering Program (Contributor)
Created2015-05
Description
The study of the mechanical behavior of nanocrystalline metals using microelectromechanical systems (MEMS) devices lies at the intersection of nanotechnology, mechanical engineering and material science. The extremely small grains that make up nanocrystalline metals lead to higher strength but lower ductility as compared to bulk metals. Effects of strain-rate dependence on the mechanical behavior of nanocrystalline metals are explored. Knowing the strain rate dependence of mechanical properties would enable optimization of material selection for different applications and lead to lighter structural components and enhanced sustainability.
ContributorsHall, Andrea Paulette (Author) / Rajagopalan, Jagannathan (Thesis director) / Liao, Yabin (Committee member) / Barrett, The Honors College (Contributor) / Mechanical and Aerospace Engineering Program (Contributor)
Created2014-05
Finite element analysis of silicon thin films on soft substrates as anodes for lithium ion batteries
Description
The wide-scale use of green technologies such as electric vehicles has been slowed due to insufficient means of storing enough portable energy. Therefore it is critical that efficient storage mediums be developed in order to transform abundant renewable energy into an on-demand source of power. Lithium (Li) ion batteries are seeing a stream of improvements as they are introduced into many consumer electronics, electric vehicles and aircraft, and medical devices. Li-ion batteries are well suited for portable applications because of their high energy-to-weight ratios, high energy densities, and reasonable life cycles. Current research into Li-ion batteries is focused on enhancing its energy density, and by changing the electrode materials, greater energy capacities can be realized. Silicon (Si) is a very attractive option because it has the highest known theoretical charge capacity. Current Si anodes, however, suffer from early capacity fading caused by pulverization from the stresses induced by large volumetric changes that occur during charging and discharging. An innovative system aimed at resolving this issue is being developed. This system incorporates a thin Si film bonded to an elastomeric substrate which is intended to provide the desired stress relief. Non-linear finite element simulations have shown that a significant amount of deformation can be accommodated until a critical threshold of Li concentration is reached; beyond which buckling is induced and a wavy structure appears. When compared to a similar system using rigid substrates where no buckling occurs, the stress is reduced by an order of magnitude, significantly prolonging the life of the Si anode. Thus the stress can be released at high Li-ion diffusion induced strains by buckling the Si thin film. Several aspects of this anode system have been analyzed including studying the effects of charge rate and thin film plasticity, and the results are compared with preliminary empirical measurements to show great promise. This study serves as the basis for a radical resolution to one of the few remaining barriers left in the development of high performing Si based electrodes for Li-ion batteries.
ContributorsShaffer, Joseph (Author) / Jiang, Hanqing (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2011
Description
Current trends in the Computer Aided Engineering (CAE) involve the integration of legacy mesh-based finite element software with newer solid-modeling kernels or full CAD systems in order to simplify laborious or highly specialized tasks in engineering analysis. In particular, mesh generation is becoming increasingly automated. In addition, emphasis is increasingly placed on full assembly (multi-part) models, which in turn necessitates an automated approach to contact analysis. This task is challenging due to increases in algebraic system size, as well as increases in the number of distorted elements - both of which necessitate manual intervention to maintain accuracy and conserve computer resources. In this investigation, it is demonstrated that the use of a mesh-free B-Spline finite element basis for structural contact problems results in significantly smaller algebraic systems than mesh-based approaches for similar grid spacings. The relative error in calculated contact pressure is evaluated for simple two dimensional smooth domains at discrete points within the contact zone and compared to the analytical Hertz solution, as well as traditional mesh-based finite element solutions for similar grid spacings. For smooth curved domains, the relative error in contact pressure is shown to be less than for bi-quadratic Serendipity elements. The finite element formulation draws on some recent innovations, in which the domain to be analyzed is integrated with the use of transformed Gauss points within the domain, and boundary conditions are applied via distance functions (R-functions). However, the basis is stabilized through a novel selective normalization procedure. In addition, a novel contact algorithm is presented in which the B-Spline support grid is re-used for contact detection. The algorithm is demonstrated for two simple 2-dimensional assemblies. Finally, a modified Penalty Method is demonstrated for connecting elements with incompatible bases.
ContributorsGrishin, Alexander (Author) / Shah, Jami J. (Thesis advisor) / Davidson, Joe (Committee member) / Hjelmstad, Keith (Committee member) / Huebner, Ken (Committee member) / Farin, Gerald (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2010