DOI: 10.1039/d6cp02453j ISSN: 1463-9076

Molecular insights into pre-existing crack induced mechanical degradation of CSH gel

Yonghe Tang, Wenbin Xing, Huilin Xie, Cong Lu, Dongshuai Hou, Muhan Wang, Yue Zhang, Xiangfei Meng, Pan Wang

Atomistic simulations show that higher Ca/Si ratios reduce CSH stiffness and tensile strength, while pre-existing Mode I fractures intensify anisotropy, stress concentration, and fracture propagation.