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- Creators: Peralta, Pedro
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
Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O, Al, and V. This increase in strength is due to the fact that the solute either increases the critical stress required for the prismatic slip systems ({10-10}<1-210>) or activates another slip system ((0001)<11-20>, {10-11}<11-20>). In particular, solute additions such as O can effectively strengthen the alloy but with an attendant loss in ductility by changing the behavior from wavy (cross slip) to planar nature. In order to understand the underlying behavior of strengthening by solutes, it is important to understand the atomic scale mechanism. This dissertation aims to address this knowledge gap through a synergistic combination of density functional theory (DFT) and molecular dynamics. Further, due to the long-range strain fields of the dislocations and the periodicity of the DFT simulation cells, it is difficult to apply ab initio simulations to study the dislocation core structure. To alleviate this issue we developed a multiscale quantum mechanics/molecular mechanics approach (QM/MM) to study the dislocation core. We use the developed QM/MM method to study the pipe diffusion along a prismatic edge dislocation core. Complementary to the atomistic simulations, the Semi-discrete Variational Peierls-Nabarro model (SVPN) was also used to analyze the dislocation core structure and mobility. The chemical interaction between the solute/impurity and the dislocation core is captured by the so-called generalized stacking fault energy (GSFE) surface which was determined from DFT-VASP calculations. By taking the chemical interaction into consideration the SVPN model can predict the dislocation core structure and mobility in the presence and absence of the solute/impurity and thus reveal the effect of impurity/solute on the softening/hardening behavior in alpha-Ti. Finally, to study the interaction of the dislocation core with other planar defects such as grain boundaries (GB), we develop an automated method to theoretically generate GBs in HCP type materials.
ContributorsBhatia, Mehul Anoopkumar (Author) / Solanki, Kiran N (Thesis advisor) / Peralta, Pedro (Committee member) / Jiang, Hanqing (Committee member) / Neithalath, Narayanan (Committee member) / Rajagopalan, Jagannathan (Committee member) / Arizona State University (Publisher)
Created2014
Description
Understanding damage evolution, particularly as it relates to local nucleation and growth kinetics of spall failure in metallic materials subjected to shock loading, is critical to national security. This work uses computational modeling to elucidate what characteristics have the highest impact on damage localization at the microstructural level in metallic materials, since knowledge of these characteristics is critical to improve these materials. The numerical framework consists of a user-defined material model implemented in a user subroutine run in ABAQUS/Explicit that takes into account crystal plasticity, grain boundary effects, void nucleation and initial growth, and both isotropic and kinematic hardening to model incipient spall. Finite element simulations were performed on copper bicrystal models to isolate the boundary effects between two grains. Two types of simulations were performed in this work: experimentally verified cases in order to validate the constitutive model as well as idealized cases in an attempt to determine the microstructural characteristic that define weakest links in terms of spall damage. Grain boundary effects on damage localization were studied by varying grain boundary orientation in respect to the shock direction and the crystallographic properties of each grain in the bicrystal. Varying these parameters resulted in a mismatch in Taylor factor across the grain boundary and along the shock direction. The experimentally verified cases are models of specific damage sites found from flyer plate impact tests on copper multicrystals in which the Taylor factor mismatch across the grain boundary and along the shock direction are both high or both low. For the idealized cases, grain boundary orientation and crystallography of the grains are chosen such that the Taylor factor mismatch in the grain boundary normal and along the shock direction are maximized or minimized. A perpendicular grain boundary orientation in respect to the shock direction maximizes Taylor factor mismatch, while a parallel grain boundary minimizes the mismatch. Furthermore, it is known that <1 1 1> crystals have the highest Taylor factor, while <0 0 1> has nearly the lowest Taylor factor. The permutation of these extremes for mismatch in the grain boundary normal and along the shock direction results in four idealized cases that were studied for this work. Results of the simulations demonstrate that the material model is capable of predicting damage localization, as it has been able to reproduce damage sites found experimentally. However, these results are qualitative since further calibration is still required to produce quantitatively accurate results. Moreover, comparisons of results for void nucleation rate and void growth rate suggests that void nucleation is more influential in the total void volume fraction for bicrystals with high property mismatch across the interface, suggesting that nucleation is the dominant characteristic in the propagation of damage in the material. Further work in recalibrating the simulation parameters and modeling different bicrystal orientations must be done to verify these results.
ContributorsVo, Johnathan Hiep (Author) / Peralta, Pedro (Thesis director) / Oswald, Jay (Committee member) / Barrett, The Honors College (Contributor) / Mechanical and Aerospace Engineering Program (Contributor) / School of Mathematical and Statistical Sciences (Contributor)
Created2014-12