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Volumn 5, Issue 8, 2009, Pages 3067-3075

Ab initio elastic properties and tensile strength of crystalline hydroxyapatite

Author keywords

Elastic constants; Hydroxyapatite; Mechanical properties; Tensile strength

Indexed keywords

ANISOTROPY; CALCULATIONS; ELASTIC CONSTANTS; TENSILE STRAIN; TENSILE STRENGTH;

EID: 70349155844     PISSN: 17427061     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actbio.2009.04.030     Document Type: Article
Times cited : (124)

References (63)
  • 2
    • 84971683084 scopus 로고
    • Bioceramics
    • Hench L.L., and Wilson J. Bioceramics. MRS Bull 16 9 (1991) 62-74
    • (1991) MRS Bull , vol.16 , Issue.9 , pp. 62-74
    • Hench, L.L.1    Wilson, J.2
  • 3
    • 0002646064 scopus 로고
    • Three analogies to explain the mechanical properties of bone
    • Currey J.D. Three analogies to explain the mechanical properties of bone. Biorheology 2 (1964) 1-10
    • (1964) Biorheology , vol.2 , pp. 1-10
    • Currey, J.D.1
  • 4
    • 0015130955 scopus 로고
    • Hard tissue as a composite material. 1. Bounds on elastic behavior
    • Katz J.L. Hard tissue as a composite material. 1. Bounds on elastic behavior. J Biomech 4 5 (1971) 455
    • (1971) J Biomech , vol.4 , Issue.5 , pp. 455
    • Katz, J.L.1
  • 9
  • 10
    • 0032029664 scopus 로고    scopus 로고
    • Mechanical properties and the hierarchical structure of bone
    • Rho J.Y., Kuhn-Spearing L., and Zioupos P. Mechanical properties and the hierarchical structure of bone. Med Eng Phys 20 2 (1998) 92-102
    • (1998) Med Eng Phys , vol.20 , Issue.2 , pp. 92-102
    • Rho, J.Y.1    Kuhn-Spearing, L.2    Zioupos, P.3
  • 11
    • 42449158841 scopus 로고
    • The relationship between crystal structure and chemical composition of enamel and dentin
    • Gruner J.W., McConnell D., and Armstrong W.D. The relationship between crystal structure and chemical composition of enamel and dentin. J Biol Chem 121 2 (1937) 771-781
    • (1937) J Biol Chem , vol.121 , Issue.2 , pp. 771-781
    • Gruner, J.W.1    McConnell, D.2    Armstrong, W.D.3
  • 15
    • 85009625486 scopus 로고    scopus 로고
    • Variations in dental enamel crystallites and micro-structure
    • Sakae T. Variations in dental enamel crystallites and micro-structure. Oral Biosci 48 2 (2006) 85-93
    • (2006) Oral Biosci , vol.48 , Issue.2 , pp. 85-93
    • Sakae, T.1
  • 16
    • 0036976186 scopus 로고    scopus 로고
    • Variations in bone mineral properties with age and disease
    • Boskey A. Variations in bone mineral properties with age and disease. Musculoskelet Neuronal Interact 2 (2002) 532-534
    • (2002) Musculoskelet Neuronal Interact , vol.2 , pp. 532-534
    • Boskey, A.1
  • 17
    • 1542346348 scopus 로고    scopus 로고
    • Age-related changes in physicochemical properties of mineral crystals are related to impaired mechanical function of cortical bone
    • Akkus O., Adar F., and Schaffler M.B. Age-related changes in physicochemical properties of mineral crystals are related to impaired mechanical function of cortical bone. Bone 34 3 (2004) 443-453
    • (2004) Bone , vol.34 , Issue.3 , pp. 443-453
    • Akkus, O.1    Adar, F.2    Schaffler, M.B.3
  • 18
    • 34548416739 scopus 로고    scopus 로고
    • Towards an atomistic understanding of apatite-collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings
    • Zahn D., Hochrein O., Kawska A., Brickmann J., and Kniep R. Towards an atomistic understanding of apatite-collagen biomaterials: linking molecular simulation studies of complex-, crystal- and composite-formation to experimental findings. J Mater Sci 42 21 (2007) 8966-8973
    • (2007) J Mater Sci , vol.42 , Issue.21 , pp. 8966-8973
    • Zahn, D.1    Hochrein, O.2    Kawska, A.3    Brickmann, J.4    Kniep, R.5
  • 19
    • 70349157864 scopus 로고    scopus 로고
    • Physico-mechanical properties determination using microscale homotopic measurement: application to sound and caries-affected primary tooth dentin
    • Marangos O., Misra A., Spencer P., Bohaty B., and Katz J.L. Physico-mechanical properties determination using microscale homotopic measurement: application to sound and caries-affected primary tooth dentin. Acta Biomater 10 (2008) 023
    • (2008) Acta Biomater , vol.10 , pp. 023
    • Marangos, O.1    Misra, A.2    Spencer, P.3    Bohaty, B.4    Katz, J.L.5
  • 21
    • 12844252036 scopus 로고    scopus 로고
    • Two different correlations between nanoindentation modulus and mineral content in the bone-cartilage interface
    • Gupta H.S., Schratter S., Tesch W., Roschger P., Berzlanovich A., Schoeberl T., et al. Two different correlations between nanoindentation modulus and mineral content in the bone-cartilage interface. J Struct Biol 149 2 (2005) 138-148
    • (2005) J Struct Biol , vol.149 , Issue.2 , pp. 138-148
    • Gupta, H.S.1    Schratter, S.2    Tesch, W.3    Roschger, P.4    Berzlanovich, A.5    Schoeberl, T.6
  • 22
    • 29144464341 scopus 로고    scopus 로고
    • Complex nonlinear deformation of nanometer intergranular glassy films in β-Si3N4
    • Chen J., Ouyang L., Rulis P., Misra A., and Ching W.Y. Complex nonlinear deformation of nanometer intergranular glassy films in β-Si3N4. Phys Rev Lett 95 (2005) 256103
    • (2005) Phys Rev Lett , vol.95 , pp. 256103
    • Chen, J.1    Ouyang, L.2    Rulis, P.3    Misra, A.4    Ching, W.Y.5
  • 23
    • 33748324450 scopus 로고    scopus 로고
    • Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in β-Si3N4
    • Ching W.Y., Chen J., Rulis P., Ouyang L., and Misra A. Ab initio modeling of clean and Y-doped grain boundaries in alumina and intergranular glassy films (IGF) in β-Si3N4. J Mater Sci 41 (2006) 5061-5067
    • (2006) J Mater Sci , vol.41 , pp. 5061-5067
    • Ching, W.Y.1    Chen, J.2    Rulis, P.3    Ouyang, L.4    Misra, A.5
  • 24
    • 59849120859 scopus 로고    scopus 로고
    • Ab initio tensile experiment on a model of intergranular glassy film in β-Si3N4 with prismatic surfaces
    • 051907-051901-051903
    • Ching W., Rulis P., Ouyang L., and Misra A. Ab initio tensile experiment on a model of intergranular glassy film in β-Si3N4 with prismatic surfaces. Appl Phys Lett 94 6 (2009) 051907-051901-051903
    • (2009) Appl Phys Lett , vol.94 , Issue.6
    • Ching, W.1    Rulis, P.2    Ouyang, L.3    Misra, A.4
  • 25
    • 34547844075 scopus 로고    scopus 로고
    • Ab initio calculations of strain fields and failure patterns in silicon nitride intergranular glassy films
    • Misra A., Ouyang L., Chen J., and Ching W.Y. Ab initio calculations of strain fields and failure patterns in silicon nitride intergranular glassy films. Philos Mag 87 25 (2007) 3839-3852
    • (2007) Philos Mag , vol.87 , Issue.25 , pp. 3839-3852
    • Misra, A.1    Ouyang, L.2    Chen, J.3    Ching, W.Y.4
  • 26
    • 0005340938 scopus 로고    scopus 로고
    • Powder diffraction studies of synthetic calcium and lead apatites
    • Kim J.Y., Fenton R.R., Hunter B.A., and Kennedy B.J. Powder diffraction studies of synthetic calcium and lead apatites. Austr J Chem 53 8 (2000) 679-686
    • (2000) Austr J Chem , vol.53 , Issue.8 , pp. 679-686
    • Kim, J.Y.1    Fenton, R.R.2    Hunter, B.A.3    Kennedy, B.J.4
  • 27
    • 0035249521 scopus 로고    scopus 로고
    • Determination of calcium/phosphorus atomic ratio of calcium phosphate apatites using X-ray diffractometry
    • Raynaud S., Champion E., Bernache-Assollant D., and Laval J.P. Determination of calcium/phosphorus atomic ratio of calcium phosphate apatites using X-ray diffractometry. J Am Ceram Soc 84 2 (2001) 359-366
    • (2001) J Am Ceram Soc , vol.84 , Issue.2 , pp. 359-366
    • Raynaud, S.1    Champion, E.2    Bernache-Assollant, D.3    Laval, J.P.4
  • 28
    • 0037763980 scopus 로고    scopus 로고
    • Electronic and crystallographic structure of apatites
    • Calderin L., Stott M.J., and Rubio A. Electronic and crystallographic structure of apatites. Phys Rev B 67 13 (2003)
    • (2003) Phys Rev B , vol.67 , Issue.13
    • Calderin, L.1    Stott, M.J.2    Rubio, A.3
  • 29
    • 37649030735 scopus 로고    scopus 로고
    • Electronic structure and bonding in calcium apatite crystals: hydroxyapatite, fluorapatite, chlorapatite, and bromapatite
    • Rulis P., Ouyang L., and Ching W.Y. Electronic structure and bonding in calcium apatite crystals: hydroxyapatite, fluorapatite, chlorapatite, and bromapatite. Phys Rev B 70 15 (2004)
    • (2004) Phys Rev B , vol.70 , Issue.15
    • Rulis, P.1    Ouyang, L.2    Ching, W.Y.3
  • 30
    • 37149015428 scopus 로고    scopus 로고
    • Electronic structure, bonding, charge distribution, and X-ray absorption spectra of the (0 0 1) surfaces of fluorapatite and hydroxyapatite from first principles
    • Rulis P., Yao H.Z., Ouyang L.Z., and Ching W.Y. Electronic structure, bonding, charge distribution, and X-ray absorption spectra of the (0 0 1) surfaces of fluorapatite and hydroxyapatite from first principles. Phys Rev B 76 24 (2007)
    • (2007) Phys Rev B , vol.76 , Issue.24
    • Rulis, P.1    Yao, H.Z.2    Ouyang, L.Z.3    Ching, W.Y.4
  • 31
    • 0037143341 scopus 로고    scopus 로고
    • Characterization of electronic structure and bonding in hydroxyapatite: Zn substitution for Ca
    • Terra J., Jiang M., and Ellis D.E. Characterization of electronic structure and bonding in hydroxyapatite: Zn substitution for Ca. Philos Mag A 82 11 (2002) 2357-2377
    • (2002) Philos Mag A , vol.82 , Issue.11 , pp. 2357-2377
    • Terra, J.1    Jiang, M.2    Ellis, D.E.3
  • 32
    • 50449084932 scopus 로고    scopus 로고
    • First-principles study of hydroxyapatite surfaces and water absorption
    • 075427-075421-075411
    • Astala R., and Stott M. First-principles study of hydroxyapatite surfaces and water absorption. Phys Rev B 78 (2008) 075427-075421-075411
    • (2008) Phys Rev B , vol.78
    • Astala, R.1    Stott, M.2
  • 33
    • 63249126633 scopus 로고    scopus 로고
    • Corno M, Busco C, Bolis V, Tosoni S, Ugliengo P. Water absorption on stoichiometric (0 0 1) and (0 1 0) surfaces of hydroxyapatite: a periodic B3LYP study. Langmuir 2009;25(4):2188-98.
    • Corno M, Busco C, Bolis V, Tosoni S, Ugliengo P. Water absorption on stoichiometric (0 0 1) and (0 1 0) surfaces of hydroxyapatite: a periodic B3LYP study. Langmuir 2009;25(4):2188-98.
  • 34
    • 35848959259 scopus 로고    scopus 로고
    • Initial stages of hydration and Zn substitution/occupation on hydroxyapatite (0 0 0 1) surfaces
    • Ma X.Y., and Ellis D.E. Initial stages of hydration and Zn substitution/occupation on hydroxyapatite (0 0 0 1) surfaces. Biomaterials 29 3 (2008) 257-265
    • (2008) Biomaterials , vol.29 , Issue.3 , pp. 257-265
    • Ma, X.Y.1    Ellis, D.E.2
  • 35
    • 35949007146 scopus 로고
    • Ab-initio molecular-dynamics for open-shell transition-metals
    • Kresse G., and Hafner J. Ab-initio molecular-dynamics for open-shell transition-metals. Phys Rev B 48 17 (1993) 13115-13118
    • (1993) Phys Rev B , vol.48 , Issue.17 , pp. 13115-13118
    • Kresse, G.1    Hafner, J.2
  • 36
    • 0030190741 scopus 로고    scopus 로고
    • Efficiency of ab initio total energy calculation for metals and semiconductors using plane wave basis set
    • Kresse G., and Furthmuller J. Efficiency of ab initio total energy calculation for metals and semiconductors using plane wave basis set. Comput Mat Sci 6 (1996) 15-50
    • (1996) Comput Mat Sci , vol.6 , pp. 15-50
    • Kresse, G.1    Furthmuller, J.2
  • 37
    • 4243943295 scopus 로고
    • Generalized gradient approximation made easy
    • Perdew J., Burke K., and Eerzerhof M. Generalized gradient approximation made easy. Phys Rev Lett 77 (1995) 3865-3869
    • (1995) Phys Rev Lett , vol.77 , pp. 3865-3869
    • Perdew, J.1    Burke, K.2    Eerzerhof, M.3
  • 38
    • 34548820965 scopus 로고    scopus 로고
    • Ab initio calculation of elastic constants of ceramic crystals
    • Yao H.Z., Ouyang L.Z., and Ching W.Y. Ab initio calculation of elastic constants of ceramic crystals. J Am Ceram Soc 90 10 (2007) 3194-3204
    • (2007) J Am Ceram Soc , vol.90 , Issue.10 , pp. 3194-3204
    • Yao, H.Z.1    Ouyang, L.Z.2    Ching, W.Y.3
  • 40
    • 0004698699 scopus 로고
    • A calculation of the bulk modulus of polycrystalline materials
    • Reuss A., and Angnew Z. A calculation of the bulk modulus of polycrystalline materials. Math Meth 9 (1929) 55
    • (1929) Math Meth , vol.9 , pp. 55
    • Reuss, A.1    Angnew, Z.2
  • 42
    • 63849162442 scopus 로고    scopus 로고
    • First-principles approach to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces
    • 013001-013001-013033
    • Ogata S., Umeno Y., and Kohyama M. First-principles approach to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces. Modell Simul Mater Sci Eng 17 (2009) 013001-013001-013033
    • (2009) Modell Simul Mater Sci Eng , vol.17
    • Ogata, S.1    Umeno, Y.2    Kohyama, M.3
  • 43
    • 10044264131 scopus 로고    scopus 로고
    • Ab initio theoretical tensile test on Y-doped Sigma-3 grain boundary in alpha-Al2O3
    • Chen J., Xu Y.N., Rulis P., Ouyang L.Z., and Ching W.Y. Ab initio theoretical tensile test on Y-doped Sigma-3 grain boundary in alpha-Al2O3. Acta Mater 53 2 (2005) 403-410
    • (2005) Acta Mater , vol.53 , Issue.2 , pp. 403-410
    • Chen, J.1    Xu, Y.N.2    Rulis, P.3    Ouyang, L.Z.4    Ching, W.Y.5
  • 46
    • 0015420176 scopus 로고
    • Anisotropy in hard dental tissues
    • Lees S.R.F. Anisotropy in hard dental tissues. J Biomech 5 (1972) 557-566
    • (1972) J Biomech , vol.5 , pp. 557-566
    • Lees, S.R.F.1
  • 47
    • 0001003187 scopus 로고
    • Elastic properties of apatites
    • Gilmore R.S., and Katz J.L. Elastic properties of apatites. J Mater Sci 17 4 (1982) 1131-1141
    • (1982) J Mater Sci , vol.17 , Issue.4 , pp. 1131-1141
    • Gilmore, R.S.1    Katz, J.L.2
  • 48
    • 0015052517 scopus 로고
    • Anisotropic elastic properties of hydroxyapatite
    • Katz J.L., and Ukrainck K. Anisotropic elastic properties of hydroxyapatite. J Biomech 4 3 (1971) 221-227
    • (1971) J Biomech , vol.4 , Issue.3 , pp. 221-227
    • Katz, J.L.1    Ukrainck, K.2
  • 49
    • 0035521921 scopus 로고    scopus 로고
    • Processing and characterization of hydroxyapatite coating on titanium produced by magnetron sputting
    • Nieh T.G., Jankowsk A.F., and Koike J. Processing and characterization of hydroxyapatite coating on titanium produced by magnetron sputting. Mater Res 16 (2001) 3238-3245
    • (2001) Mater Res , vol.16 , pp. 3238-3245
    • Nieh, T.G.1    Jankowsk, A.F.2    Koike, J.3
  • 51
    • 0036009848 scopus 로고    scopus 로고
    • Nanoindentation mapping of the mechanical properties of human molar tooth enamel
    • Guy J.L., Mann A.B., Kivi K.J., Teaford M.F., and Weihs T.P. Nanoindentation mapping of the mechanical properties of human molar tooth enamel. Arch Oral Biol 47 4 (2002) 281-291
    • (2002) Arch Oral Biol , vol.47 , Issue.4 , pp. 281-291
    • Guy, J.L.1    Mann, A.B.2    Kivi, K.J.3    Teaford, M.F.4    Weihs, T.P.5
  • 52
    • 0033975337 scopus 로고    scopus 로고
    • Microstructural dependence of Young's and shear moduli of P2O5 glass reinforced hydroxyapatite for biomedical applications
    • Lopes M.A., Silva R.F., Monteiro F.J., and Santos J.D. Microstructural dependence of Young's and shear moduli of P2O5 glass reinforced hydroxyapatite for biomedical applications. Biomaterials 21 7 (2000) 749-754
    • (2000) Biomaterials , vol.21 , Issue.7 , pp. 749-754
    • Lopes, M.A.1    Silva, R.F.2    Monteiro, F.J.3    Santos, J.D.4
  • 53
    • 0035544731 scopus 로고    scopus 로고
    • Scanning acoustic microscopy study of human cortical and trabecular bone
    • Bumrerraj S., and Katz J.L. Scanning acoustic microscopy study of human cortical and trabecular bone. Ann Biomed Eng 29 12 (2001) 1034-1042
    • (2001) Ann Biomed Eng , vol.29 , Issue.12 , pp. 1034-1042
    • Bumrerraj, S.1    Katz, J.L.2
  • 54
    • 0012235190 scopus 로고    scopus 로고
    • An ab initio calculation of the ideal tensile strength of beta-silicon nitride
    • Ogata S., Hirosaki N., Kocer C., and Kitagawa H. An ab initio calculation of the ideal tensile strength of beta-silicon nitride. Phys Rev B 6417 17 (2001)
    • (2001) Phys Rev B , vol.6417 , Issue.17
    • Ogata, S.1    Hirosaki, N.2    Kocer, C.3    Kitagawa, H.4
  • 55
    • 0033798413 scopus 로고    scopus 로고
    • Mineralized collagen fibrils: a mechanical model with a staggered arrangement of mineral particles
    • Jager I., and Fratzl P. Mineralized collagen fibrils: a mechanical model with a staggered arrangement of mineral particles. Biophys J 79 4 (2000) 1737-1746
    • (2000) Biophys J , vol.79 , Issue.4 , pp. 1737-1746
    • Jager, I.1    Fratzl, P.2
  • 56
    • 33846458993 scopus 로고    scopus 로고
    • 'Universal' microstructural patterns in cortical and trabecular, extracellular and extravascular bone materials: micromechanics-based prediction of anisotropic elasticity
    • Fritsch A., and Hellmich C. 'Universal' microstructural patterns in cortical and trabecular, extracellular and extravascular bone materials: micromechanics-based prediction of anisotropic elasticity. J Theor Biol 244 4 (2007) 597-620
    • (2007) J Theor Biol , vol.244 , Issue.4 , pp. 597-620
    • Fritsch, A.1    Hellmich, C.2
  • 57
    • 44849089062 scopus 로고    scopus 로고
    • Hierarchical modeling of the elastic properties of bone at submicron scales: the role of extrafibrillar mineralization
    • Nikolov S., and Raabe D. Hierarchical modeling of the elastic properties of bone at submicron scales: the role of extrafibrillar mineralization. Biophys J 94 11 (2008) 4220-4232
    • (2008) Biophys J , vol.94 , Issue.11 , pp. 4220-4232
    • Nikolov, S.1    Raabe, D.2
  • 58
    • 4043114822 scopus 로고    scopus 로고
    • Structure and mechanical quality of the collagen-mineral nano-composite in bone
    • Fratzl P., Gupta H.S., Paschalis E.P., and Roschger P. Structure and mechanical quality of the collagen-mineral nano-composite in bone. J Mater Chem 14 14 (2004) 2115-2123
    • (2004) J Mater Chem , vol.14 , Issue.14 , pp. 2115-2123
    • Fratzl, P.1    Gupta, H.S.2    Paschalis, E.P.3    Roschger, P.4
  • 59
    • 0042659484 scopus 로고    scopus 로고
    • Size and shape of mineralites in young bovine bone measured by atomic force microscopy
    • Tong W., Glimcher M.J., Katz J.L., Kuhn L., and Eppell S.J. Size and shape of mineralites in young bovine bone measured by atomic force microscopy. Calcif Tissue Int 72 5 (2003) 592-598
    • (2003) Calcif Tissue Int , vol.72 , Issue.5 , pp. 592-598
    • Tong, W.1    Glimcher, M.J.2    Katz, J.L.3    Kuhn, L.4    Eppell, S.J.5
  • 60
    • 0038287424 scopus 로고    scopus 로고
    • Detection of hydroxyl ions in bone mineral by solid-state NMR spectroscopy
    • Cho G.Y., Wu Y.T., and Ackerman J.L. Detection of hydroxyl ions in bone mineral by solid-state NMR spectroscopy. Science 300 5622 (2003) 1123-1127
    • (2003) Science , vol.300 , Issue.5622 , pp. 1123-1127
    • Cho, G.Y.1    Wu, Y.T.2    Ackerman, J.L.3
  • 61
    • 0041386489 scopus 로고    scopus 로고
    • Comparison of in vivo dissolution processes in hydroxyapatite and silicon-substituted hydroxyapatite bioceramics
    • Porter A.E., Patel N., Skepper J.N., Best S.M., and Bonfield W. Comparison of in vivo dissolution processes in hydroxyapatite and silicon-substituted hydroxyapatite bioceramics. Biomaterials 24 25 (2003) 4609-4620
    • (2003) Biomaterials , vol.24 , Issue.25 , pp. 4609-4620
    • Porter, A.E.1    Patel, N.2    Skepper, J.N.3    Best, S.M.4    Bonfield, W.5
  • 62
    • 49249118532 scopus 로고    scopus 로고
    • The true toughness of human cortical bone measured with realistically short cracks
    • Koester K.J., Ager J.W., and Ritchie R.O. The true toughness of human cortical bone measured with realistically short cracks. Nat Mater 7 8 (2008) 672-677
    • (2008) Nat Mater , vol.7 , Issue.8 , pp. 672-677
    • Koester, K.J.1    Ager, J.W.2    Ritchie, R.O.3
  • 63
    • 0036647209 scopus 로고    scopus 로고
    • Formation and properties of hydroxyapatite-calcium poly(vinyl phosphonate) composites
    • Greish Y.E., and Brown P.W. Formation and properties of hydroxyapatite-calcium poly(vinyl phosphonate) composites. J Am Ceram Soc 85 7 (2002) 1738-1744
    • (2002) J Am Ceram Soc , vol.85 , Issue.7 , pp. 1738-1744
    • Greish, Y.E.1    Brown, P.W.2


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