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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
Magnetic liquids called ferrofluids have been used in applications ranging from audio speaker cooling and rotary pressure seals to retinal detachment surgery and implantable artificial glaucoma valves. Recently, ferrofluids have been investigated as a material for use in magnetically controllable liquid droplet robotics. Liquid droplet robotics is an emerging technology that aims to apply control theory to manipulate fluid droplets as robotic agents to perform a wide range of tasks. Furthermore, magnetically controlled micro-robotics is another popular area of study where manipulating a magnetic field allows for the control of magnetized micro-robots. Both of these emerging fields have potential for impact toward medical applications: liquid characteristics such as being able to dissolve various compounds, be injected via a needle, and the potential for the human body to automatically filter and remove a liquid droplet robot, make liquid droplet robots advantageous for medical applications; while the ability to remotely control the torques and forces on an untethered microrobot via modulating the magnetic field and gradient is also highly advantageous. The research described in this dissertation explores applications and methods for the electromagnetic control of ferrofluid droplet robots. First, basic electrical components built from fluidic channels containing ferrofluid are made remotely tunable via the placement of ferrofluid within the channel. Second, a ferrofluid droplet is shown to be fully controllable in position, stretch direction, and stretch length in two dimensions using proportional-integral-derivative (PID) controllers. Third, control of a ferrofluid’s position, stretch direction, and stretch length is extended to three dimensions, and control gains are optimized via a Bayesian optimization process to achieve higher accuracy. Finally, magnetic control of both single and multiple ferrofluid droplets in two dimensions is investigated via a visual model predictive control approach based on machine learning. These achievements take both liquid droplet robotics and magnetic micro-robotics fields several steps closer toward real-world medical applications such as embedded soft electronic health monitors, liquid-droplet-robot-based drug delivery, and automated magnetically actuated surgeries.
ContributorsAhmed, Reza James (Author) / Marvi, Hamidreza (Thesis advisor) / Espanol, Malena (Committee member) / Rajagopalan, Jagannathan (Committee member) / Zhuang, Houlong (Committee member) / Xu, Zhe (Committee member) / Arizona State University (Publisher)
Created2022