凝胶孔对水化硅酸钙(C-S-H)力学性能影响的分子动力学模拟

Effect of Gel Pore on the Mechanical Properties of Calcium Silicate Hydrate by Molecular Dynamics Simulation

本研究首先利用分子动力学分析了不同尺寸凝胶孔对水化硅酸钙(C-S-H)弹性力学参数的影响,然后模拟了不同受力状态下的受力变形性能,比较并分析了应力应变关系的特征参数变化。结果表明:C-S-H的体积模量、剪切模量和杨氏模量均随凝胶孔尺寸的增大而减小。凝胶孔会降低CS-H拉伸、压缩和剪切时的力学性能和变形性能,但不同受力状态下的影响程度不同。凝胶孔对抗拉强度的影响程度最大,对抗压和抗剪强度的影响程度较小且基本相同;对拉伸变形性能的影响程度最大,对压缩变形性能的影响程度最小。

The effects of different sizes of gel pores on the elastic mechanical parameters of calcium silicate hydrate(C-S-H)were analyzed by molecular dynamics.Then,the mechanical and deformation properties under different stress states were simulated,and the characteristic parameters of the stress-strain relationships were compared and analyzed.The results show that the bulk modulus,shear modulus,and Young's modulus of C-S-H decrease with the increase of gel pore size.Gel pores will reduce the mechanical and deformation properties of C-S-H,but the effect varies under different stress states.Gel pores have the largest impact on tensile strength,and have almost the same effect on the compressive and shear strength.In terms of the gel pore effect on deformation properties,it is the largest under tension,followed by shearing,and finally compression.