Abstract
A novel clustered atomistic-continuum method (CACM) based on the transient finite element theory is proposed herein to simulate the dynamic structural transitions of the double strand DNA (dsDNA) under external loading. Moreover, the meso-mechanics of dsDNA molecules is then studied via the CACM model, including the base-stacking interaction between DNA adjacent nucleotide base pairs, the hydrogen bond of complementary base-pairs and electrostatic interactions along DNA backbones. Additionally, the mechanics of the dsDNA unzip is studied by the verified dsDNA CACM model.