Premium
Data‐driven reduced‐order model of microtubule mechanics
Author(s) -
Feng Yan,
Mitran Sorin
Publication year - 2018
Publication title -
cytoskeleton
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.95
H-Index - 86
eISSN - 1949-3592
pISSN - 1949-3584
DOI - 10.1002/cm.21419
Subject(s) - beam (structure) , timoshenko beam theory , stiffness , physics , microtubule , stiffness matrix , deformation (meteorology) , coupling (piping) , bending , bending stiffness , mechanics , materials science , classical mechanics , optics , biology , composite material , meteorology , thermodynamics , microbiology and biotechnology
Abstract A beam element is constructed for microtubules based upon data reduction of the results from atomistic simulation of the carbon backbone chain of α β ‐tubulin dimers. The database of mechanical responses to various types of loads from atomistic simulation is reduced to dominant modes. The dominant modes are subsequently used to construct the stiffness matrix of a beam element that captures the anisotropic behavior and deformation mode coupling that arises from a microtubule's spiral structure. In contrast to standard Euler–Bernoulli or Timoshenko beam elements, the link between forces and node displacements results not from hypothesized deformation behavior, but directly from the data obtained by molecular scale simulation. Differences between the resulting microtubule data‐driven beam model (MTDDBM) and standard beam elements are presented, with a focus on coupling of bending, stretch, shear deformations. The MTDDBM is just as economical to use as a standard beam element, and allows accurate reconstruction of the mechanical behavior of structures within a cell as exemplified in a simple model of a component element of the mitotic spindle.