Temperature Effects on Tensile and Compressive Mechanical Behaviors of C-S-H Structure via Atomic Simulation

Figure 1

Schematic conversion diagram of simulation box in x-y plane. (a) Initial 11 Å tobermorite structure without water molecules and hydroxyl groups. Cell parameters: = 26.76 Å, = 22.17 Å, = 22.77 Å, α = β = 90°, γ = 123.49°. (b) Transformed box parameters: = 22.32 Å, = 22.17 Å, = 22.77 Å, α = β = γ = 90°.

(a) Original box of a monoclinic cell

(b) Transformed box of a orthogonal cell