Abstract
Effect of water on the structure and deformation of 22Na2O 11Al2O3 67SiO2 glass was investigated by molecular dynamics simulation. The hydrous glass was prepared by substituting H for Na (NH glass) and adding H2O molecules in the glass network (NMH glass). In NH glass, the water showed three patterns such as Onb-H, Ob-H, and Onb-2H. In NMH glass, there was Onb-2H bond when the glass relaxed at 300 K and Onb-H bond when the glass relaxed at 1000 K besides H2O molecule. Under compression and tension, hydrous glass deformed easily compared with anhydrous glass, due to the breakage of Si or Al-O bond by OH and H2O.
