Atomic- and Molecular-level study of connection and propagation mechanisms of local plastic deformations in crystal and polymer structures

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In order to elucidate the transition mechanism from homogeneous to inhomogeneous of deformation and fracture modes related to the strain rate and temperature in nano structured materials, we perform deformation tests for nanocrystal and polymer models using molecular dynamics simulations. It can be concluded that the difficulties for structural transitions of local lattice defects, e.g., structural changes from line defects to plane defects, strongly affect the generation of local plastic deformations and its propagations.