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    Multiscale Model of Collagen Fibril in Bone: Elastic Response

    Source: Journal of Engineering Mechanics:;2014:;Volume ( 140 ):;issue: 003
    Author:
    Shashindra M.
    ,
    Pradhan
    ,
    Kalpana S.
    ,
    Katti
    ,
    Dinesh R.
    ,
    Katti
    DOI: 10.1061/(ASCE)EM.1943-7889.0000482
    Publisher: American Society of Civil Engineers
    Abstract: In this paper, the development of a multiscale model of collagen fibril is described using a hierarchical approach by combining molecular dynamics simulations and FEM. Steered molecular dynamics was used to investigate the mechanical response of collagen under various conditions that mimic the organization of collagen molecules and mineral inside the collagen fibril. The steered molecular dynamics simulations showed that the elastic properties of collagen molecules are significantly higher in the proximity of mineral. The properties of collagen and interfaces at the molecular scale were carried over to the continuum model of collagen fibril. The model of collagen fibril (measuring approximately
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      Multiscale Model of Collagen Fibril in Bone: Elastic Response

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    https://yetl.yabesh.ir/yetl1/handle/yetl/60965
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    contributor authorShashindra M.
    contributor authorPradhan
    contributor authorKalpana S.
    contributor authorKatti
    contributor authorDinesh R.
    contributor authorKatti
    date accessioned2017-05-08T21:43:58Z
    date available2017-05-08T21:43:58Z
    date copyrightMarch 2014
    date issued2014
    identifier other%28asce%29em%2E1943-7889%2E0000491.pdf
    identifier urihttp://yetl.yabesh.ir/yetl/handle/yetl/60965
    description abstractIn this paper, the development of a multiscale model of collagen fibril is described using a hierarchical approach by combining molecular dynamics simulations and FEM. Steered molecular dynamics was used to investigate the mechanical response of collagen under various conditions that mimic the organization of collagen molecules and mineral inside the collagen fibril. The steered molecular dynamics simulations showed that the elastic properties of collagen molecules are significantly higher in the proximity of mineral. The properties of collagen and interfaces at the molecular scale were carried over to the continuum model of collagen fibril. The model of collagen fibril (measuring approximately
    publisherAmerican Society of Civil Engineers
    titleMultiscale Model of Collagen Fibril in Bone: Elastic Response
    typeJournal Paper
    journal volume140
    journal issue3
    journal titleJournal of Engineering Mechanics
    identifier doi10.1061/(ASCE)EM.1943-7889.0000482
    treeJournal of Engineering Mechanics:;2014:;Volume ( 140 ):;issue: 003
    contenttypeFulltext
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