With the growth of global population, the demand for sustainable infrastructure is significantly increasing. Substructures with appropriate materials are required to be built in or above soil that can support the massive volume of construction demand. However, increased structural requirements often require ground improvement to increase the soil capacity. Moreover, certain soils are prone to liquefaction during an earthquake, which results in significant structural damage and loss of lives. While various soil treatment methods have been developed in the past to improve the soil’s load carrying ability, most of these traditional treatment methods have been found either hazardous and may cause irreversible damage to natural environment, or too disruptive to use beneath or adjacent to existing structures. Thus, alternative techniques are required to provide a more natural and sustainable solution. Biomediated methods of strengthening soil through mineral precipitation, in particular through microbially induced carbonate precipitation (MICP), have recently emerged as a promising means of soil improvement. In MICP, the precipitation of carbonate (usually in the form of calcium carbonate) is mediated by microorganisms and the process is referred to as biomineralization. The precipitated carbonate coats soil particles, precipitates in the voids, and bridges between soil particles, thereby improving the mechanical properties (e.g., strength, stiffness, and dilatancy). Although it has been reported that the soil’s mechanical properties can be extensively enhanced through MICP, the micro-scale mechanisms that influence the macro-scale constitutive response remain to be clearly explained.

The utilization of alternative techniques such as MICP requires an in-depth understanding of the particle-scale contact mechanisms and the ability to predict the improvement in soil properties resulting from calcite precipitation. For this purpose, the discrete element method (DEM), which is extensively used to investigate granular materials, is adopted in this dissertation. Three-dimensional discrete element method (DEM) based numerical models are developed to simulate the response of bio-cemented sand under static and dynamic loading conditions and the micro-scale mechanisms of MICP are numerically investigated. Special focus is paid to the understanding of the particle scale mechanisms that are dominant in the common laboratory scale experiments including undrained and drained triaxial compression when calcite bridges are present in the soil, that enhances its load capacity. The mechanisms behind improvement of liquefaction resistance in cemented sands are also elucidated through the use of DEM. The thesis thus aims to provide the fundamental link that is important in ensuring proper material design for granular materials to enhance their mechanical performance.

The main objective of this study is to numerically investigate: (i) the ionic transport, especially chloride ion penetration into cementitious materials under imposed electric fields, and (ii) moisture transport through cracked concretes as a function of the crack geometry. Numerical methods were implemented to simulate the ionic transport process, based on coupling the Nernst-Planck equation and Poisson's equation to account for transport dominated by electromigration. This mathematical model was also modified to account for the chloride binding mechanism (physical and chemical trapping of chlorides by the cement hydrates) and the concentration dependence of the diffusion coefficient of each ion in the transport process. To validate the numerical model, experimental data from a companion work was used in this study. The non-steady state migration test, which is one of the common accelerated chloride ion transport test, is numerically simulated. The simulation provides a linear relationship between ionic concentration and ionic flux, which indicates that the diffusion part is negligible under a strong external voltage environment. The numerical models along with adjustments for the concentration-dependent diffusion coefficients, a pore structure factor (from electrical measurements) and chloride binding considerations are found to be successful in predicting the chloride penetration depth into plain and modified concretes under imposed electrical potentials. Moisture transport through cracked concrete was examined in the second part of this thesis. To better understand the crack's influence on the permeability, modified Louis' equation was chosen to relate the permeability with crack characteristics. 3D concrete crack models were developed using a MATLAB program with distinct crack tortuosities, roughnesses and sizes. As a comparison, Navier-Stokes equation and the Lattice Boltzmann method were also applied on the 3D model of the cracked concrete to evaluate their permeability. The methodology developed here is expected to be useful in understanding the influence of cracking on moisture transport, and when properly coupled with an ionic transport model that will be further developed, helps comprehensively understand the coupling effects of moisture and ionic transport on deterioration in concrete structures.