• predicting buckling behavior of microtubules based on an atomistic-continuum model

    نویسندگان :
    جزئیات بیشتر مقاله
    • تاریخ ارائه: 1392/01/01
    • تاریخ انتشار در تی پی بین: 1392/01/01
    • تعداد بازدید: 657
    • تعداد پرسش و پاسخ ها: 0
    • شماره تماس دبیرخانه رویداد: -
     an atomistic-continuum model is proposed for microtubules. a higher-order gradient continuum constitutive relationship is established, and elasticity and global buckling of microtubules are studied intensively. as a typical macromolecular bio-system, atomic components and structures are much more complicated. traditional atomistic simulation methods and classical continuum approaches have their own fundamental drawbacks in dealing with this large atomic system. adopting a homogenization technique, this paper proposes a concept of fictitious bonds for microtubules to link the large atomic structure with continuum description. after selecting a representative unit, the fictitious bond energy equals to the energy stored in the continuum model. the higher-order cauchy–born rule is used to approximate the deformation of fictitious bonds under arbitrary loading conditions. a mesh-free numerical scheme is specifically developed for modeling computation. the elastic modulus and critical compressive force are predicted. representative case studies are presented, and some results are obtained and discussed.

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