The National Natural Science Foundation of China, No.11302037, 2014.1-2016.12
Studying and developing the nano-devices with the controllable mechanical performance can provide a scientific reference and a practical scheme for executing the controlling operation accurately in the nanoscale system. In this project, the controllable mechanical behaviors of the water-filled and the ionic liquid-filled carbon nanotubes with two half-fullerene caps in the electro-mechanical field will be examined on the basis of the molecular dynamics simulations and the relevant classical continuum theories. Through the numerical simulationsand the theoretical researches, this project will focus on: the states, the configurations and the dynamic behaviors of the water molecules and the ions under thecoupling effect of the external electric field and the confined environment; the variation of the mechanical property of the water-filled carbon nanotubes (the elastic modulus, the critical buckling stress and so on) with the intensity and the direction of the electric field; the variation of the deformation of the ionic liquid-filled carbon nanotubes (tension, bending and so on) with the intensity and the direction of the electric field; the theoretical model describing the changeablemechanical behavior of the fluid-filled carbon nanotubes with the intensity and thedirection of the electric field. The outcomes of the project will provide valuable theoretical basis and guidance for the design and the fabrication of the controllable nano-devices.