New model for the hydroxyapatite-octacalcium phosphate interface

被引:34
作者
Fernández, ME
Zorilla-Cangas, C
García-Garcìa, R
Ascencio, JA
Reyes-Gasga, J
机构
[1] Inst Nacl Invest Nucl, Mexico City 52045, DF, Mexico
[2] Univ Nacl Autonoma Mexico, Inst Fis, Mexico City 04510, DF, Mexico
[3] Inst Mexicano Petr, Programa Invest & Desarrollo Ductos, Mexico City 07730, DF, Mexico
关键词
D O I
10.1107/S0108768103002167
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Some experimental results have indicated that hydroxyapatite ( HA) and octacalcium phosphate (OCP) can form an epitaxic interface. Subsequently the OCP-HA interface has become of great biological interest in the context of mineralized tissue formation. In this work a new OCP-HA interface model based on Brown's proposed configuration [ Brown ( 1962), Nature, 197, 1048-1050] and using the minimum interface free-energy optimization is presented. This new model is formed by half a unit cell of HA and one unit cell of OCP, as in Brown's model, but in our case [1 (2) over bar 10] of HA is 'glued' with [010] of OCP. Therefore, the relationship found was: [ 0001] HA parallel to [001](OCP) and [1 (2) over bar 10](HA) parallel to [010](OCP). Self-consistent field methods were used for the analysis of Brown's model and ours. It is shown that the atoms in our model have similar environments as in the HA and OCP unit cells and that, as a result of the differences between HA and OCP unit-cell parameters, this interface presents misfit-dislocation-like features. High-resolution transmission electron microscopy (HREM) simulated images for the new interface model have been included and, when they are compared with the experimental ones, the similarity is quite good.
引用
收藏
页码:175 / 181
页数:7
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