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- All Subjects: Mechanical Engineering
- Genre: Doctoral Dissertation
- Creators: Arizona State University
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
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
A new method of adaptive mesh generation for the computation of fluid flows is investigated. The method utilizes gradients of the flow solution to adapt the size and stretching of elements or volumes in the computational mesh as is commonly done in the conventional Hessian approach. However, in the new method, higher-order gradients are used in place of the Hessian. The method is applied to the finite element solution of the incompressible Navier-Stokes equations on model problems. Results indicate that a significant efficiency benefit is realized.
ContributorsShortridge, Randall (Author) / Chen, Kang Ping (Thesis advisor) / Herrmann, Marcus (Thesis advisor) / Wells, Valana (Committee member) / Huang, Huei-Ping (Committee member) / Mittelmann, Hans (Committee member) / Arizona State University (Publisher)
Created2011
Description
The world is grappling with two serious issues related to energy and climate change. The use of solar energy is receiving much attention due to its potential as one of the solutions. Air conditioning is particularly attractive as a solar energy application because of the near coincidence of peak cooling loads with the available solar power. Recently, researchers have started serious discussions of using adsorptive processes for refrigeration and heat pumps. There is some success for the >100 ton adsorption systems but none exists in the <10 ton size range required for residential air conditioning. There are myriad reasons for the lack of small-scale systems such as low Coefficient of Performance (COP), high capital cost, scalability, and limited performance data. A numerical model to simulate an adsorption system was developed and its performance was compared with similar thermal-powered systems. Results showed that both the adsorption and absorption systems provide equal cooling capacity for a driving temperature range of 70-120 ºC, but the adsorption system is the only system to deliver cooling at temperatures below 65 ºC. Additionally, the absorption and desiccant systems provide better COP at low temperatures, but the COP's of the three systems converge at higher regeneration temperatures. To further investigate the viability of solar-powered heat pump systems, an hourly building load simulation was developed for a single-family house in the Phoenix metropolitan area. Thermal as well as economic performance comparison was conducted for adsorption, absorption, and solar photovoltaic (PV) powered vapor compression systems for a range of solar collector area and storage capacity. The results showed that for a small collector area, solar PV is more cost-effective whereas adsorption is better than absorption for larger collector area. The optimum solar collector area and the storage size were determined for each type of solar system. As part of this dissertation work, a small-scale proof-of-concept prototype of the adsorption system was assembled using some novel heat transfer enhancement strategies. Activated carbon and butane was chosen as the adsorbent-refrigerant pair. It was found that a COP of 0.12 and a cooling capacity of 89.6 W can be achieved.
ContributorsGupta, Yeshpal (Author) / Phelan, Patrick E (Thesis advisor) / Bryan, Harvey J. (Committee member) / Mikellidas, Pavlos G (Committee member) / Pacheco, Jose R (Committee member) / Trimble, Steven W (Committee member) / Arizona State University (Publisher)
Created2011
Description
The flow around a golf ball is studied using direct numerical simulation (DNS). An immersed boundary approach is adopted in which the incompressible Navier-Stokes equations are solved using a fractional step method on a structured, staggered grid in cylindrical coordinates. The boundary conditions on the surface are imposed using momentum forcing in the vicinity of the boundary. The flow solver is parallelized using a domain decomposition strategy and message passing interface (MPI), and exhibits linear scaling on as many as 500 processors. A laminar flow case is presented to verify the formal accuracy of the method. The immersed boundary approach is validated by comparison with computations of the flow over a smooth sphere. Simulations are performed at Reynolds numbers of 2.5 × 104 and 1.1 × 105 based on the diameter of the ball and the freestream speed and using grids comprised of more than 1.14 × 109 points. Flow visualizations reveal the location of separation, as well as the delay of complete detachment. Predictions of the aerodynamic forces at both Reynolds numbers are in reasonable agreement with measurements. Energy spectra of the velocity quantify the dominant frequencies of the flow near separation and in the wake. Time-averaged statistics reveal characteristic physical patterns in the flow as well as local trends within dimples. A mechanism of drag reduction due to the dimples is confirmed, and metrics for dimple optimization are proposed.
ContributorsSmith, Clinton E (Author) / Squires, Kyle D (Thesis advisor) / Balaras, Elias (Committee member) / Herrmann, Marcus (Committee member) / Adrian, Ronald (Committee member) / Stanzione, Daniel C (Committee member) / Calhoun, Ronald (Committee member) / Arizona State University (Publisher)
Created2011
Description
Multiphase flows are an important part of many natural and technological phe- nomena such as ocean-air coupling (which is important for climate modeling) and the atomization of liquid fuel jets in combustion engines. The unique challenges of multiphase flow often make analytical solutions to the governing equations impos- sible and experimental investigations very difficult. Thus, high-fidelity numerical simulations can play a pivotal role in understanding these systems. This disserta- tion describes numerical methods developed for complex multiphase flows and the simulations performed using these methods. First, the issue of multiphase code verification is addressed. Code verification answers the question "Is this code solving the equations correctly?" The method of manufactured solutions (MMS) is a procedure for generating exact benchmark solutions which can test the most general capabilities of a code. The chief obstacle to applying MMS to multiphase flow lies in the discontinuous nature of the material properties at the interface. An extension of the MMS procedure to multiphase flow is presented, using an adaptive marching tetrahedron style algorithm to compute the source terms near the interface. Guidelines for the use of the MMS to help locate coding mistakes are also detailed. Three multiphase systems are then investigated: (1) the thermocapillary motion of three-dimensional and axisymmetric drops in a confined apparatus, (2) the flow of two immiscible fluids completely filling an enclosed cylinder and driven by the rotation of the bottom endwall, and (3) the atomization of a single drop subjected to a high shear turbulent flow. The systems are simulated numerically by solving the full multiphase Navier- Stokes equations coupled to the various equations of state and a level set interface tracking scheme based on the refined level set grid method. The codes have been parallelized using MPI in order to take advantage of today's very large parallel computational architectures. In the first system, the code's ability to handle surface tension and large tem- perature gradients is established. In the second system, the code's ability to sim- ulate simple interface geometries with strong shear is demonstrated. In the third system, the ability to handle extremely complex geometries and topology changes with strong shear is shown.
ContributorsBrady, Peter, Ph.D (Author) / Herrmann, Marcus (Thesis advisor) / Lopez, Juan (Thesis advisor) / Adrian, Ronald (Committee member) / Calhoun, Ronald (Committee member) / Chen, Kangping (Committee member) / Arizona State University (Publisher)
Created2011
Description
Structural health management (SHM) is emerging as a vital methodology to help engineers improve the safety and maintainability of critical structures. SHM systems are designed to reliably monitor and test the health and performance of structures in aerospace, civil, and mechanical engineering applications. SHM combines multidisciplinary technologies including sensing, signal processing, pattern recognition, data mining, high fidelity probabilistic progressive damage models, physics based damage models, and regression analysis. Due to the wide application of carbon fiber reinforced composites and their multiscale failure mechanisms, it is necessary to emphasize the research of SHM on composite structures. This research develops a comprehensive framework for the damage detection, localization, quantification, and prediction of the remaining useful life of complex composite structures. To interrogate a composite structure, guided wave propagation is applied to thin structures such as beams and plates. Piezoelectric transducers are selected because of their versatility, which allows them to be used as sensors and actuators. Feature extraction from guided wave signals is critical to demonstrate the presence of damage and estimate the damage locations. Advanced signal processing techniques are employed to extract robust features and information. To provide a better estimate of the damage for accurate life estimation, probabilistic regression analysis is used to obtain a prediction model for the prognosis of complex structures subject to fatigue loading. Special efforts have been applied to the extension of SHM techniques on aerospace and spacecraft structures, such as UAV composite wings and deployable composite boom structures. Necessary modifications of the developed SHM techniques were conducted to meet the unique requirements of the aerospace structures. The developed SHM algorithms are able to accurately detect and quantify impact damages as well as matrix cracking introduced.
ContributorsLiu, Yingtao (Author) / Chattopadhyay, Aditi (Thesis advisor) / Rajadas, John (Committee member) / Dai, Lenore (Committee member) / Papandreou-Suppappola, Antonia (Committee member) / Jiang, Hanqing (Committee member) / Arizona State University (Publisher)
Created2012
Description
Structural features of canonical wall-bounded turbulent flows are described using several techniques, including proper orthogonal decomposition (POD). The canonical wall-bounded turbulent flows of channels, pipes, and flat-plate boundary layers include physics important to a wide variety of practical fluid flows with a minimum of geometric complications. Yet, significant questions remain for their turbulent motions' form, organization to compose very long motions, and relationship to vortical structures. POD extracts highly energetic structures from flow fields and is one tool to further understand the turbulence physics. A variety of direct numerical simulations provide velocity fields suitable for detailed analysis. Since POD modes require significant interpretation, this study begins with wall-normal, one-dimensional POD for a set of turbulent channel flows. Important features of the modes and their scaling are interpreted in light of flow physics, also leading to a method of synthesizing one-dimensional POD modes. Properties of a pipe flow simulation are then studied via several methods. The presence of very long streamwise motions is assessed using a number of statistical quantities, including energy spectra, which are compared to experiments. Further properties of energy spectra, including their relation to fictitious forces associated with mean Reynolds stress, are considered in depth. After reviewing salient features of turbulent structures previously observed in relevant experiments, structures in the pipe flow are examined in greater detail. A variety of methods reveal organization patterns of structures in instantaneous fields and their associated vortical structures. Properties of POD modes for a boundary layer flow are considered. Finally, very wide modes that occur when computing POD modes in all three canonical flows are compared. The results demonstrate that POD extracts structures relevant to characterizing wall-bounded turbulent flows. However, significant care is necessary in interpreting POD results, for which modes can be categorized according to their self-similarity. Additional analysis techniques reveal the organization of smaller motions in characteristic patterns to compose very long motions in pipe flows. The very large scale motions are observed to contribute large fractions of turbulent kinetic energy and Reynolds stress. The associated vortical structures possess characteristics of hairpins, but are commonly distorted from pristine hairpin geometries.
ContributorsBaltzer, Jon Ronald (Author) / Adrian, Ronald J (Thesis advisor) / Calhoun, Ronald (Committee member) / Gelb, Anne (Committee member) / Herrmann, Marcus (Committee member) / Squires, Kyle D (Committee member) / Arizona State University (Publisher)
Created2012
Description
Damage assessment and residual useful life estimation (RULE) are essential for aerospace, civil and naval structures. Structural Health Monitoring (SHM) attempts to automate the process of damage detection and identification. Multiscale modeling is a key element in SHM. It not only provides important information on the physics of failure, such as damage initiation and growth, the output can be used as "virtual sensing" data for detection and prognosis. The current research is part of an ongoing multidisciplinary effort to develop an integrated SHM framework for metallic aerospace components. In this thesis a multiscale model has been developed by bridging the relevant length scales, micro, meso and macro (or structural scale). Micro structural representations obtained from material characterization studies are used to define the length scales and to capture the size and orientation of the grains at the micro level. Parametric studies are conducted to estimate material parameters used in this constitutive model. Numerical and experimental simulations are performed to investigate the effects of Representative Volume Element (RVE) size, defect area fraction and distribution. A multiscale damage criterion accounting for crystal orientation effect is developed. This criterion is applied for fatigue crack initial stage prediction. A damage evolution rule based on strain energy density is modified to incorporate crystal plasticity at the microscale (local). Optimization approaches are used to calculate global damage index which is used for the RVE failure prediciton. Potential cracking directions are provided from the damage criterion simultaneously. A wave propagation model is incorporated with the damage model to detect changes in sensing signals due to plastic deformation and damage growth.
ContributorsLuo, Chuntao (Author) / Chattopadhyay, Aditi (Thesis advisor) / Papandreou-Suppappola, Antonia (Committee member) / Jiang, Hanqing (Committee member) / Dai, Lenore (Committee member) / Li, Jian (Committee member) / Arizona State University (Publisher)
Created2011
Description
With the increasing focus on developing environmentally benign electronic packages, lead-free solder alloys have received a great deal of attention. Mishandling of packages, during manufacture, assembly, or by the user may cause failure of solder joint. A fundamental understanding of the behavior of lead-free solders under mechanical shock conditions is lacking. Reliable experimental and numerical analysis of lead-free solder joints in the intermediate strain rate regime need to be investigated. This dissertation mainly focuses on exploring the mechanical shock behavior of lead-free tin-rich solder alloys via multiscale modeling and numerical simulations. First, the macroscopic stress/strain behaviors of three bulk lead-free tin-rich solders were tested over a range of strain rates from 0.001/s to 30/s. Finite element analysis was conducted to determine appropriate specimen geometry that could reach a homogeneous stress/strain field and a relatively high strain rate. A novel self-consistent true stress correction method is developed to compensate the inaccuracy caused by the triaxial stress state at the post-necking stage. Then the material property of micron-scale intermetallic was examined by micro-compression test. The accuracy of this measure is systematically validated by finite element analysis, and empirical adjustments are provided. Moreover, the interfacial property of the solder/intermetallic interface is investigated, and a continuum traction-separation law of this interface is developed from an atomistic-based cohesive element method. The macroscopic stress/strain relation and microstructural properties are combined together to form a multiscale material behavior via a stochastic approach for both solder and intermetallic. As a result, solder is modeled by porous plasticity with random voids, and intermetallic is characterized as brittle material with random vulnerable region. Thereafter, the porous plasticity fracture of the solders and the brittle fracture of the intermetallics are coupled together in one finite element model. Finally, this study yields a multiscale model to understand and predict the mechanical shock behavior of lead-free tin-rich solder joints. Different fracture patterns are observed for various strain rates and/or intermetallic thicknesses. The predictions have a good agreement with the theory and experiments.
ContributorsFei, Huiyang (Author) / Jiang, Hanqing (Thesis advisor) / Chawla, Nikhilesh (Thesis advisor) / Tasooji, Amaneh (Committee member) / Mobasher, Barzin (Committee member) / Rajan, Subramaniam D. (Committee member) / Arizona State University (Publisher)
Created2011