关键词: C-S-H凝胶;分子动力学模拟;力学性能

Abstract: C-S-H gel is an amorphous multi-component material, is one of the important products of cement hydration.Molecular dynamics simulation of C-S-H gel physico-chemical properties become a hot topic in recent years.The use of CAMPASS force field can fully simulate the physical and chemical properties of cement hydration products .The mechanical properties of different C /S ratio(C/S =1, C/S=0.83, C/S =0.67 and C /S =1.5)specific hydrated calcium silicates based on the Hamid model and Jennite model were studied.It was found that the elastic modulus of the system increased with the increase of C /S ratio and the changes of bulk modulus and shear modulus were similar .

Key words: C-S-H gel;molecular dynamics simulation;mechanical property