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