Role of hydroxyapatite crystal shape in nanoscale mechanical behavior of model tropocollagen–hydroxyapatite hard biomaterials

Dubey, Devendra K.; Tomar, Vikas

doi:10.1016/j.msec.2009.04.015

Cited by 34 publications

(24 citation statements)

References 46 publications

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“…Resulting nanoscale interfacial interactions between TC and HAP phases is a strong determinant of the strength of such materials. Recent works by Dubey and Tomar [10,20,77,78] present a mechanistic understanding of such interfacial interactions by examining idealized TC and HAP interfacial biomaterials. A three-dimensional atomistic modeling framework is developed, which combines both organic and inorganic cells together to form a supercell as shown in Figure 13.5.…”

Section: Atomistic Modelingmentioning

confidence: 99%

Interfacial Forces and Interfaces in Hard Biomaterial Mechanics

Dubey

Tomar

2012

Biomimetic Approaches for Biomaterials Development

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Section: Atomistic Modelingmentioning

confidence: 99%

Interfacial Forces and Interfaces in Hard Biomaterial Mechanics

Dubey

Tomar

2012

Biomimetic Approaches for Biomaterials Development

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“…Resulting nanoscale interfacial interactions between TC phase and HAP phase is a strong determinant of the strength of such materials. Recent works by Dubey and Tomar, 18,19,20,21,22 present a mechanistic understanding of such interfacial interactions by examining idealized TC and HAP interfacial biomaterials. The HAP mineral modeled in this study is limited to the pure HAP as described in ''Nacre'' section.…”

Section: Atomistic Modeling Tc-hap Biomimetic Materials: Role Of Intementioning

confidence: 99%

“…PS cells also showed higher interfacial strength and fracture resistance as compared to NS cells. 17,19 Visual deformation analysis using visual molecular dynamics (VMD) package revealed another interesting observation: HAP mineral platelets deform in a ductile fashion during compressive deformation of TC-HAP biocomposite (Fig. 9).…”

Section: Atomistic Modeling Tc-hap Biomimetic Materials: Role Of Intementioning

confidence: 99%

“…For example, three-dimensional explicit atomistic failure analyses of model tropocollagen (TC)-hydroxyapatite (HAP) interfacial biomaterial (similar to material found in bone tissues) performed at the nanoscopic length scale. Dubey and Tomar [18][19][20] have pointed out that maximizing the contact area between the TC and HAP phases result in higher interfacial strength as well as higher fracture strength. Analyses have also shown that high toughness and strain hardening behavior of such biomaterial is due to reconstitution of columbic interactions between TC and HAP surfaces during interfacial sliding due to mechanical deformation.…”

Section: Introductionmentioning

confidence: 99%

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Role of Molecular Level Interfacial Forces in Hard Biomaterial Mechanics: A Review

Dubey

Tomar

2010

Ann Biomed Eng

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Biological materials have evolved over millions of years and are often found as complex composites with superior properties compared to their relatively weak original constituents. Hard biomaterials such as nacre, bone, and dentin have intrigue researchers for decades for their high stiffness and toughness, multifunctionality, and self-healing capabilities. Challenges lie in identifying nature's mechanisms behind imparting such properties and her pathways in fabricating these composites. The route frequently acquired by nature is embedding submicron- or nano-sized mineral particles in protein matrix in a well-organized hierarchical arrangement. The key here is the formation of large amount of precisely and carefully designed organic-inorganic interfaces and synergy of mechanisms acting over multiple scales to distribute loads and damage, dissipate energy, and resist change in properties owing to events such as cracking. An important aspect to focus on is the chemo-mechanics of the organic-inorganic interfaces and its correlation with overall mechanical behavior of materials. This review focuses on presenting an overview of the past work and currently ongoing work done on this aspect. Analyses focuses on understanding role played by the interfacial mechanics on overall mechanical strength of hard biomaterials. Specific attention is given to synergy between experiments and modeling at the nanoscale to understand the hard biomaterial biomechanics.

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“…TC in bone) and inorganic phases (i.e. HAP in bone) [16][17][18][19]. However, atomistic studies on chitin based materials have been limited.…”

Section: Introductionmentioning

confidence: 99%

Influence of interfacial interactions on deformation mechanism and interface viscosity in α-chitin–calcite interfaces

Verma

Alucozai

et al. 2015

Acta Biomaterialia

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The interfaces between organic and inorganic phases in natural materials have a significant effect on their mechanical properties. This work presents a quantification of the interface stress as a function of interface chemical changes (water, organic molecules) in chitin-calcite (CHI-CAL) interfaces using classical non-equilibrium molecular dynamics (NEMD) simulations and steered molecular dynamics (SMD) simulations. NEMD is used to investigate interface stress as a function of applied strain based on the virial stress formulation. SMD is used to understand interface separation mechanism and to calculate interfacial shear stress based on a viscoplastic interfacial sliding model. Analyses indicate that interfacial shear stress combined with shear viscosity can result in variations to the mechanical properties of the examined interfacial material systems. It is further verified with Kelvin-Voigt and Maxwell viscoelastic analytical models representing viscous interfaces and outer matrix. Further analyses show that overall mechanical deformation depends on maximization of interface shear strength in such materials. This work establishes lower and upper bounds of interface strength in the interfaces examined.

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Role of hydroxyapatite crystal shape in nanoscale mechanical behavior of model tropocollagen–hydroxyapatite hard biomaterials

Cited by 34 publications

References 46 publications

Interfacial Forces and Interfaces in Hard Biomaterial Mechanics

Interfacial Forces and Interfaces in Hard Biomaterial Mechanics

Role of Molecular Level Interfacial Forces in Hard Biomaterial Mechanics: A Review

Influence of interfacial interactions on deformation mechanism and interface viscosity in α-chitin–calcite interfaces

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