“…[26][27][28][29] Furthermore, its application in high-temperature studies of cementitious materials, silica-based cement composites, and other related systems has had good results. 19,[30][31][32][33][34] The core of ReaxFF is the bond-level expression, which defines the interactions between atoms as a function of bond order, and the energy expression for the reaction force field is calculated by means of a complex function as detailed in eqn (1) and Table 1: 35,36…”