| With the development of computer and computing technology, the computational materials science has developed rapidly based on the materials science in the field of materials. The subject of computational materials science involves prediction and modeling of materials performance, materials design and techniques simulation. It is becoming the focus of the development of materials science to research the structure and composing of materials and the micro transforming mechanism in physical and chemical procedure to achieve the best combination of composition, makeup and the parameter of preparation.Digitized simulation of cement particles is very complicated due to their wide size ranges, complex shapes and multi-phase nature. The chemical and physical properties of cement are determined by the procedure of hydration of cement paste. So a more accurate simulation can make a more reliable prediction, further more, through the simulation the factor such as the best mixing proportion of reactant, the maintaining environment, which affects the hydration of cements, can be controlled; consequently the design of material is realized.This paper is based on the scanning electron microscopy and digital image processing, and begin with 2-D SEM/X-ray image, combining with the characteristic of cement particles, label the pixels and reconstruct the 3-D image and ensure all the parameter in accord with that of 3-D image. During the procedure of reconstruction a new kind data structure and a new algorithm is designed by the author to construct non- spherical cement particle, and this kind of structure can make the surface proportion, W/C and distribution of particle size all accord with the target value. During the simulation, combine the mechanism of cements hydration with authority of cellular-automata and apply them to the 3-D structure to simulate the reaction between all phases. Besides these the author import OpenGL technique to the simulation and make the model visual, make up the lack of... |