Meshfree simulation of temperature effects on the mechanical behaviors of microtubules

The temperature-related mechanical behaviors of microtubules are investigated by way of the developed meshfree computational framework. An atomistic-continuum constitutive relationship is formulated for bridging-scale simulations of microtubules from polyatomic structure to continuum meshfree modeling. The establishment of a specific meshfree theory is based on high-order gradient continuity, by incorporating a higher-order Cauchy-Born rule. The influence of temperature on the critical buckling force and free vibration frequencies of microtubules is intensively studied. It is realized from the simulation results that temperature significantly affects the mechanical behaviors of microtubules. The critical buckling force and natural vibration frequencies of microtubules decrease with increases in temperature. A lower temperature will always result in a higher flexural rigidity, thus benefiting the mechanical strength of microtubules. In contrast, an elevated temperature will have negative impacts on microtubule stiffness. Microtubules with typical boundary restrictions subjected to different temperatures are included in the analysis. A series of simulation results on the critical buckling force and natural vibration frequencies of microtubules covering a wide range of microtubule lengths is presented for the purpose of the provision of engineering references.