Research Article
Atomistic Simulation of Intrinsic Defects and Trivalent and Tetravalent Ion Doping in Hydroxyapatite
Table 3
Calculated and experimental elastic constants of hydroxyapatite.
| | Elastic constants (GPa) | | | | | | | Bulk modulus |
| Present work | 158.58 | 57.10 | 58.90 | 142.11 | 43.70 | 89.72 |
Hughes et al. (Exp.) [49] | 166.7 | 13.96 | 66.3 | 139.6 | — | 84.6 |
Katz and Ukraincik (Exp.) [50] | 137.0 | 42.50 | 54.90 | 172.0 | 39.60 | 82.60 |
Pedone et al. (Theo.) [41] | 157.5 | — | 59.7 | 147.3 | 43.9 | 90.66 |
de Leeuw et al. (Theo.) [31] | 134.4 | 48.9 | 68.5 | 184.7 | 51.4 | 90.0 | Snyders et al. (Theo.) [32] | 117.1 | 26.2 | 55.6 | 231.8 | 56.4 | 76.0 |
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