Theses and Dissertations
This collection includes both ASU Theses and Dissertations, submitted by graduate students, and the Barrett, Honors College theses submitted by undergraduate students.
Displaying 1 - 3 of 3
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- All Subjects: Diffusion
- Creators: Phelan, Patrick
- Creators: Wang, Robert
Description
As one of the most promising materials for high capacity electrode in next generation of lithium ion batteries, silicon has attracted a great deal of attention in recent years. Advanced characterization techniques and atomic simulations helped to depict that the lithiation/delithiation of silicon electrode involves processes including large volume change (anisotropic for the initial lithiation of crystal silicon), plastic flow or softening of material dependent on composition, electrochemically driven phase transformation between solid states, anisotropic or isotropic migration of atomic sharp interface, and mass diffusion of lithium atoms. Motivated by the promising prospect of the application and underlying interesting physics, mechanics coupled with multi-physics of silicon electrodes in lithium ion batteries is studied in this dissertation. For silicon electrodes with large size, diffusion controlled kinetics is assumed, and the coupled large deformation and mass transportation is studied. For crystal silicon with small size, interface controlled kinetics is assumed, and anisotropic interface reaction is studied, with a geometry design principle proposed. As a preliminary experimental validation, enhanced lithiation and fracture behavior of silicon pillars via atomic layer coatings and geometry design is studied, with results supporting the geometry design principle we proposed based on our simulations. Through the work documented here, a consistent description and understanding of the behavior of silicon electrode is given at continuum level and some insights for the future development of the silicon electrode are provided.
ContributorsAn, Yonghao (Author) / Jiang, Hanqing (Thesis advisor) / Chawla, Nikhilesh (Committee member) / Phelan, Patrick (Committee member) / Wang, Yinming (Committee member) / Yu, Hongyu (Committee member) / Arizona State University (Publisher)
Created2014
Description
The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical analysis of the mass transfer phenomena on drug in cylindrical matrix system, the governing equations are derived from the cylindrical matrix systems, Krogh cylinder model, which modeling system is comprised of a capillary to a surrounding cylinder tissue along with the arterial distance to veins. ADI (Alternative Direction Implicit) scheme and Thomas algorithm are applied to solve the nonlinear partial differential equations (PDEs). This study shows that the important factors which have an effect on the drug penetration depth to the tissue are the mass diffusivity and the consumption of relevant species during the time allowed for diffusion to the brain tissue. Also, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion in a three dimensional capillary network, which are satisfied in the physiological range of a typical capillary. A three dimensional geometry has been constructed to replicate the one studied by Secomb et al. (2000), and the computational framework features a non-Newtonian viscosity model for blood, the oxygen transport model including in oxygen-hemoglobin dissociation and wall flux due to tissue absorption, as well as an ability to study the diffusion of drugs and other materials in the capillary streams. Finally, a chemical kinetic mechanism of JP-10 has been compiled and validated for a wide range of combustion regimes, covering pressures of 1atm to 40atm with temperature ranges of 1,200 K - 1,700 K, which is being studied as a possible Jet propellant for the Pulse Detonation Engine (PDE) and other high-speed flight applications such as hypersonic missiles. The comprehensive skeletal mechanism consists of 58 species and 315 reactions including in CPD, Benzene formation process by the theory for polycyclic aromatic hydrocarbons (PAH) and soot formation process on the constant volume combustor, premixed flame characteristics.
ContributorsBae, Kang-Sik (Author) / Lee, Taewoo (Thesis advisor) / Huang, Huei-Ping (Committee member) / Calhoun, Ronald (Committee member) / Phelan, Patrick (Committee member) / Lopez, Juan (Committee member) / Arizona State University (Publisher)
Created2012
Description
Droplet-structure interactions play a pivotal role in many engineering applications as droplet-based solutions are evolving. This work explores the physical understanding of these interactions through systematic research leading to improvements in thermal management via dropwise condensation (DWC), and breathable protective wearables against chemical aerosols for better thermoregulation.
In DWC, the heat transfer rate can be further increased by increasing the nucleation and by optimally ‘refreshing’ the surface via droplet shedding. Softening of surfaces favor the former while having an adverse effect on the latter. This optimization problem is addressed by investigating how mechanical properties of a substrate impact relevant droplet-surface interactions and DWC heat transfer rate. The results obtained by combining droplet induced surface deformation with finite element model show that softening of the substrates below a shear modulus of 500 kPa results in a significant reduction in the condensation heat transfer rate.
On the other hand, interactions between droplet and polymer leading to polymer swelling can be used to develop breathable wearables for use in chemically harsh environments. Chemical aerosols are hazardous and conventional protective measures include impermeable barriers which limit the thermoregulation. To solve this, a solution is proposed consisting of a superabsorbent polymer developed to selectively absorb these chemicals and closing the pores in the fabric. Starting from understanding and modeling the droplet induced swelling in elastomers, the extent and topological characteristic of swelling is shown to depend on the relative comparison of the polymer and aerosol geometries. Then, this modeling is extended to a customized polymer, through a simplified characterization paradigm. In that, a new method is proposed to measure the swelling parameters of the polymer-solvent pair and develop a validated model for swelling. Through this study, it is shown that for this polymer, the concentration-dependent diffusion coefficient can be measured through gravimetry and Poroelastic Relaxation Indentation, simplifying the characterization effort. Finally, this model is used to design composite fabric. Specifically, using model results, the SAP geometry, base fabric design, method of composition is optimized, and the effectiveness of the composite fabric highlighted in moderate-to-high concentrations over short durations.
In DWC, the heat transfer rate can be further increased by increasing the nucleation and by optimally ‘refreshing’ the surface via droplet shedding. Softening of surfaces favor the former while having an adverse effect on the latter. This optimization problem is addressed by investigating how mechanical properties of a substrate impact relevant droplet-surface interactions and DWC heat transfer rate. The results obtained by combining droplet induced surface deformation with finite element model show that softening of the substrates below a shear modulus of 500 kPa results in a significant reduction in the condensation heat transfer rate.
On the other hand, interactions between droplet and polymer leading to polymer swelling can be used to develop breathable wearables for use in chemically harsh environments. Chemical aerosols are hazardous and conventional protective measures include impermeable barriers which limit the thermoregulation. To solve this, a solution is proposed consisting of a superabsorbent polymer developed to selectively absorb these chemicals and closing the pores in the fabric. Starting from understanding and modeling the droplet induced swelling in elastomers, the extent and topological characteristic of swelling is shown to depend on the relative comparison of the polymer and aerosol geometries. Then, this modeling is extended to a customized polymer, through a simplified characterization paradigm. In that, a new method is proposed to measure the swelling parameters of the polymer-solvent pair and develop a validated model for swelling. Through this study, it is shown that for this polymer, the concentration-dependent diffusion coefficient can be measured through gravimetry and Poroelastic Relaxation Indentation, simplifying the characterization effort. Finally, this model is used to design composite fabric. Specifically, using model results, the SAP geometry, base fabric design, method of composition is optimized, and the effectiveness of the composite fabric highlighted in moderate-to-high concentrations over short durations.
ContributorsPhadnis, Akshay (Author) / Rykaczewski, Konrad (Thesis advisor) / Wang, Robert (Committee member) / Wang, Liping (Committee member) / Oswald, Jay (Committee member) / Burgin, Timothy (Committee member) / Arizona State University (Publisher)
Created2019