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. Author manuscript; available in PMC: 2015 Jul 28.
Published in final edited form as: RSC Adv. 2015 Mar 27;5:36614–36633. doi: 10.1039/C4RA17180B

Fig.5.

Fig.5

Results of an interatomic potential study showing the structural rearrangement of (001) faces on HAp surface (left and right of the diagram) as the result of free energy minimization requirements. Even though the unit cells adjacent to the surface appear to be perfectly hexagonal, while the channels closer to the surface assume a distorted hexagonal geometry, the simulation has suggested the deformation of the OH- channel outlined by Ca2 atoms, extending together with a short-range interaction between the surfaces over the distance of several unit cells into the bulk of the material.