The incorporation of nano-reinforcements is believed to be a promising method to create high performance nanocomposites, which are largely dependent on the interfacial connections. In this work, the newly emerging two-dimensional (2D) material, 2D-silica is intentionally intercalated into the interlayer defective sites of calcium silicate hydrate (C-S-H), which is the primary hydration product of ordinary portland cements. The reactive molecular simulation results indicate the nano-reinforcement can strongly interact with the inorganic matrix to form a high-ductility nanocomposite. The uniaxial tensile loading tests show the plastic stage of the C-S-H is considerably enhanced due to the intercalation of 2D-silica, which removes the intrinsic brittleness of cement-based materials at the nano-scale. It is observed that the dangling atoms at the edge of 2D-silica can react with non-bridging oxygen atoms of C-S-H, forming Si-O-Si bonds at interfaces. Those covalent bonds transform Q₁ and Q₂ in the C-S-H into high connectivity Q₃ and Q₄ species, which increases the integrity of the matrix and its resistance to crack propagation. During the tensile process, the elongation and breakage of those high-strength covalent bonds needs higher tensile stress and consumes higher energy, which leads to a strong plasticity and higher toughness. This work may shed new lights on the interaction mechanisms between 2D-materials and inorganic hosts, and provide solutions to modifying the brittleness of concrete.

纳米增强剂的引入被认为是产生高性能纳米复合材料的有前途的方法，该复合材料很大程度上取决于界面连接。在这项工作中，新出现的二维（2D）材料2D二氧化硅被有意插入到水合硅酸钙（CSH）的层间缺陷部位，而水合硅酸钙是普通硅酸盐水泥的主要水合产物。反应性分子模拟结果表明，纳米增强材料可以与无机基体强烈相互作用，形成高延展性的纳米复合材料。单轴拉伸载荷测试表明，由于2D二氧化硅的插层，CSH的塑性阶段得到了显着增强，这消除了水泥基材料在纳米级的固有脆性。观察到在2D二氧化硅边缘的悬空原子可以与CSH的非桥接氧原子反应，在界面处形成Si-O-Si键。那些共价键改变了QCSH中的₁和Q ₂变成具有高连通性的Q ₃和Q ₄物种，这增加了基体的完整性及其对裂纹扩展的抵抗力。在拉伸过程中，那些高强度共价键的伸长和断裂需要较高的拉伸应力并消耗较高的能量，从而导致较强的可塑性和较高的韧性。这项工作可能会为二维材料与无机主体之间的相互作用机制开辟新的思路，并为解决混凝土的脆性提供解决方案。