Crystallisation rates of calcite from an amorphous precursor in confinement

Using molecular dynamics, we simulate the crystallisation of calcite from an amorphous calcium carbonate precursor within the confines of a cylindrical potential. The crystallisation rates of various low-index calcite surfaces are measured. A notable inhibition in the growth of the (00.1) surface is observed and a mechanism relating to the rotation of the carbonate ions is proposed to explain it.

► Crystallisation rates of six calcite surfaces from ACC are measured using MD. ► The polar surfaces, (00.1) and (01.2), are slower than predicted by growth models. ► (00.1) is especially slow; the ionic ordering is shown to be the source of inhibition.