A Transferable Interatomic Potential for Calcium Carbonate
- 1 January 1992
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 9 (2) , 175-177
- https://doi.org/10.1080/08927029208050610
Abstract
The development of an interatomic potential for calcium carbonate is described. The potential is fitted to calcite and then transferred to aragonite. The calculated structure and trend in lattice energies are both compared with experimental values.Keywords
This publication has 1 reference indexed in Scilit:
- Computer Simulation of Inorganic MaterialsPublished by Springer Nature ,1990