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An atomic scale model of amorphous calcium silicate hydrate (C-S-H) with Ca/Si ratio of 1.67 is constructed. Effects of temperature on mechanical properties of C-S-H structure under tensile and compressive loading in the layered direction are investigated via molecular dynamics simulations. Results from present simulations show that (1) the tensile strength and Young’s modulus of C-S-H structure significantly decrease with the increase of the temperature; (2) the water layer plays an important role in the mechanical properties of C-S-H structure; (3) the compressive strength is stronger than tensile strength, which corresponds with the characteristic of cement paste.

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