Microscopic Carriers of Plasticity in Glassy Polystyrene

The relevant parts of the microstructure participating in plastic deformation glassy polystyrene are identified. This is achieved by performing quasi-static simulations an atomistic representation polystyrene, within a thermodynamic framework, under experimentally realistic boundary conditions (controlled compressive strain, atmospheric pressure lateral directions, and room temperature). In particular, it shown that discontinuities free energy course representative microscopic events, which strongly correlated with heterogeneous non-affine phenyl-rings. However, despite induced anisotropy during deformation, phenyl-rings do not show any preferred orientation deformation. rearrangements analyzed further terms local best-fit gradient tensor (a modified version procedure introduced Falk Langer 1998) as well stretch- rotation-components clusters atoms significant analysis shows highly heterogeneous, locally strains rotations can be orders magnitude larger than imposed giving rise to material.