Portland cement is one of the most widely used materials in the construction industry. One of its inherent characteristics is shrinkage upon drying which may lead to formation of cracks. In response to this concern, expansive cements have been developed and used in the field for several decades. When mixed with water, expansive cements expand and create tensile stresses in the reinforcing steel. This generates compressive stresses in the concrete which reduced the cracking potential. However, the current procedure for preparation of expansive cements is based on trial and error. The objective of this research is to evaluate the physico-chemical, microstructural, and micromechanical properties of expansive cements. The research consists of both numerical modeling and experimental evaluation to obtain an understanding of the mechanical properties of expansive cements.