Methods and Distributed Software for Visualization of Cracks Propagating in Discrete Particle Systems

Scientific visualization is becoming increasingly important in analyzing and interpreting numerical and experimental data sets. Parallel computations of discrete particle systems lead to large data sets that can be produced, stored and visualized on distributed IT infrastructures. However, this leads to very complicated environments handling complex simulation and interactive visualization on the remote heterogeneous architectures. In micro-structure of continuum, broken connections between neighbouring particles can form complex cracks of unknown geometrical shape. The complex disjoint surfaces of cracks with holes and unavailability of a suitable scalar field defining the crack surfaces limit the application of the common surface extraction methods. The main visualization task is to extract the surfaces of cracks according to the connectivity of the broken connections and the geometry of the neighbouring particles. The research aims at enhancing the visualization methods of discrete particle systems and increasing speed of distributed visualization software. The dissertation consists of introduction, three main chapters and general conclusions. In the first Chapter, a literature review on visualization software, distributed environments, discrete element simulation of particle systems and crack visualization methods is presented. In the second Chapter, novel visualization methods were proposed for extraction of crack surfaces from monodispersed particle systems modelled by the discrete element method. The cell cut-based method, the Voronoi-based method and cell centre-based method explicitly define geometry of propagating cracks in fractured regions. The proposed visualization methods were implemented in the grid visualization e–service VizLitG and the distributed visualization software VisPartDEM. Partial data set transfer from the grid storage element was developed to reduce the data transfer and visualization time. In the third Chapter, the results of experimental research are presented. The performance of e-service VizLitG was evaluated in a geographically distributed grid. Different types of software were employed for data transfer in order to present the quantitative comparison. The performance of the developed visualization methods was investigated. The quantitative comparison of the execution time of local Voronoi-based method and that of global Voronoi diagrams generated by Voro++ library was presented. The accuracy of the developed methods was evaluated by computing the total depth of cuts made in particles by the extracted crack surfaces. The present research confirmed that the proposed visualization methods and the developed distributed software were capable of visualizing crack propagation modelled by the discrete element method in monodispersed particulate media

UNDERSTANDING DEGRADATION AND LITHIUM DIFFUSION IN LITHIUM ION BATTERY ELECTRODES

Lithium-ion batteries with higher capacity and longer cycle life than that available today are required as secondary energy sources for a wide range of emerging applications. In particular, the cycling performance of several candidate materials for lithium-ion battery electrodes is insufficient because of the fast capacity fading and short cycle life, which is mainly a result of mechanical degradation. This dissertation mainly focuses on the issue of mechanical degradation in advanced lithium-ion battery electrodes. Thin films of tin electrodes were studied where we observed whisker growth as a result of electrochemical cycling. These whiskers bring safety concerns because they may penetrate through the separator, and cause short-circuit of the electrochemical cells. Cracking patterns generated in amorphous silicon thin film electrodes because of electrochemical cycling were observed and analyzed. A two-dimensional spring-block model was proposed to successfully simulate the observed cracking patterns. With semi-quantitative study of the cracking pattern features, two strategies to void cracking in thin-film electrodes were proposed, namely reducing the film thickness and patterning the thin-film electrodes. We also investigated electrodes consisting of low melting point elements and showed that cracks can be self-healed by the solid-to-liquid phase transformation upon cycling. Using gallium as an example, mechanical degradation as a failure mechanism for lithium-ion battery electrodes can be eliminated. In order to quantitatively understand the effect of surface modification on electrodes, we analyzed diffusion equations with boundary conditions of finite interfacial reactions, and proposed a modified potentialstatic intermittent titration technique (PITT) as an electro-analytical technique to study diffusion and interfacial kinetics. The modified PITT has been extended to thin-film geometry and spherical geometry, and thus can be used to study thin-film and composite electrodes consisting of particles as active materials

Effect of Desiccation Cracks on Earth Embankments

Levees are earth structures used for flood protection. Due to their easy availability and low permeability, clays are the most common material used for the construction of levees. Clays are susceptible to desiccation cracks when subjected to long dry spells during summers. There has been an increased interest in studying the occurrence of cracks in soil mass. In particular, many experimental investigations for soils have been undertaken to learn about the crack pattern in earth embankment. However, there is a dearth of work that focuses on the numerical modeling of desiccation cracks effects on levees. This study has been undertaken to analyze the effect of desiccation cracking on the hydraulic behavior of an earth embankment under flooding conditions. A numerical model was developed using the finite element package CODE_BRIGHT. The model was validated from the data obtained from a small scale embankment experiment under controlled environmental conditions. As the phenomenon of desiccation cracking is highly random, a simple random model was developed to capture the variability in crack geometry. The random crack geometry was then passed on to the finite element mesh, so that a probabilistic analysis can be carried out using a Monte Carlo approach, for assessing the embankment’s integrity. The results obtained from the analysis such as time to steady state saturation and steady state flow rate at the outward slope were very interesting to study and provided an insight on the effect of desiccation cracks on unsaturated earth embankments