A novel continuum–discrete multiscale coupling method for strain localization of lipid bio-membrane under tension

A study on the effect of defects on the buckling of double-walled carbon nanotubes under compression based on a new atomic-continuum coupling method

“…As mentioned above, MD simulations can track every atom's motion and exactly characterize the details of subtle local deformation; however, the calculations are very time-consuming, and studies are limited in small size; continuum models cannot fully include the accurate physics of discrete nanostructures and cannot precisely capture the complex interlayer vdW interactions of DWCNTs. To avoid these drawbacks, ACC models are developed for SWCNTs [33] and biomembrane [34], respectively. The MLS approximation is used for linking discrete atomic lattices and the virtual continuum counterparts, and the intrinsic physics laws involved in atomic structures can be accurately mapped into the continuum models.…”

“…Remarks: Both interatomic multibody actions and interlayer vdW actions are established based on real atomic structure. P in u ð Þ and P nb u ð Þ in equations ( 33) and (34), respectively, are calculated without using approximate numerical quadrature which is unlike traditional numerical computational methods, such as FEMs and meshless methods. Therefore, ACC model can accurately express the nonlinear mechanical properties of defective DWCNTs.…”