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    Multiscale Modeling of Collagen Fibril in Bone at Various Crosslink Densities: An Insight into Its Deformation Mechanisms

    S.M. Pradhan1, K.S.Katti1, D.R. Katti1

    CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.2, pp. 181-201, 2014, DOI:10.3970/cmes.2014.098.181

    Abstract Multiscale modeling of collagen fibril is carried out by incorporating the material properties of collagen obtained from steered molecular dynamics into the finite element model of collagen fibril with inclusion of crosslinks. The results indicate that the nonbonded interactions between collagen and mineral contribute to the significant enhancement of the elastic modulus of collagen fibril at all the crosslink densities in both the low strain and high strain regimes. The crosslinks are found to play an important role in the mechanical response of collagen fibril, the enhancement in elastic modulus ranging from 5-11% for various More >

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