Dynamical fracture in SiSe2 nanowires—a molecular-dynamics study

The dynamics of fracture in SiSe₂ nanowires under constant uniaxial strain is investigated using the molecular-dynamics (MD) method. It is found that the nanowires remain highly crystalline and stay in the elastic-deformation regime up to a critical strain. Under large uniaxial strain, fracture of the nanowires is preceded by initiation of an amorphous region in the chains at the outermost layer. The dynamics of amorphization and fracture are discussed.