期刊
ACTA BIOMATERIALIA
卷 5, 期 8, 页码 3067-3075出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.actbio.2009.04.030
关键词
Hydroxyapatite; Mechanical properties; Elastic constants; Tensile strength
资金
- US Department of Energy [DE-FG02-84DR45170]
- Office of Science of DOE [DE-AC03-76SF00098]
- NSF [CMS-0506297]
We report elastic constant calculation and a theoretical tensile experiment on stoichiometric hydroxyapatite (HAP) crystal using an ab initio technique. These results compare favorably with a variety of measured data. Theoretical tensile experiments are performed on the orthorhombic cell of HAP for both uniaxial and biaxial loading. The results show considerable anisotropy in the stress-strain behavior. It is shown that the failure behavior of the perfect HAP crystal is brittle for tension along the z-axis with a maximum stress of 9.6 GPa at 10% strain. Biaxial failure envelopes from six theoretical loading tests show a highly anisotropic pattern. Structural analysis of the crystal under various stages of tensile strain reveals that the deformation behavior manifests itself mainly in the rotation of the PO4 tetrahedron with concomitant movements of both the columnar and axial Ca ions. These results are discussed in the context of mechanical properties of bioceramic composites relevant to mineralized tissues. (C) 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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