Dynamic mechanical behaviors of calcium silicate hydrate under shock compression loading using molecular dynamics simulation

Abstract

Dynamic mechanical behaviors of the calcium silicate hydrate (C-S-H) under shock compression loading in layered direction have been investigated by molecular dynamics (MD) simulations. The various piston velocities ranging from 0.2 to 3.0 km/s used to describe the propagation of stress waves have been employed in our MD simulations. The shock Hugoniot curve and the distribution of particle velocity are obtained. It is found that the Hugoniot elastic limit is 7.5 GPa, and the impact may induce elastic response, elastic-plastic response and shock regime. Our results reveal that only a continuous elastic wave exists when the particle velocity is below 0.5 km/s, while a new wave is generated when the particle velocity is at 0.5 km/s. With further increasing the particle velocity, a two-wave structure is generated. After the particle velocity is larger than 2.0 km/s, the shock wave is dominant. These findings provide important atomic insights for understanding the dynamic mechanical behaviors of C-S-H.