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Understanding and quantifying the atomic structure, energetics, and the effect of defects on mechanics and reactivity of low symmetry oxides is an engineering challenge. This study focuses on atomistic analysis of screw dislocation in three thermodynamically reversible polymorphs of tricalcium silicate (Ca₃SiO₃), which is the key ingredient of cement. We employ molecular simulations to decode the interplay between the dislocation formation core energies, nonplanar core structures, displacement fields, disregistry functions, and Peierls stresses of tricalcium silicate polymorphs. By analyzing the core geometry at multiple scales, we found that the screw dislocations minimally impact the atomic bonds and angles at the vicinity of the Ca₃SiO₃ core dislocations, largely due to the sizeable channels and rigid body type relocation of atoms, which moderate most of the disturbances enforced by dislocations. Furthermore …