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

Abstract EN

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.