Molecular Dynamics Simulations of ${\hat{I}}^3$-Belite(010)-Water Interfaces with High-Dimensional Neural Network Potentials

Bernadeta Prus, Jörg Behler

Belite -- dicalcium silicate Ca${}_2$SiO${}_4$ -- is a main constituent of low-carbon cement. In this work, we study several terminations of the (010) surface of ${\hat{I}}^3$-belite, its most…