Research / 2020 / Article / Fig 3

Research Article

Atomistic Insights into the Tunable Transition from Cavitation to Crazing in Diamond Nanothread-Reinforced Polymer Composites

Figure 3

Cavitation and deformation pattern for hybrid nanocomposites. (a) Density distribution of polymer atoms in DNT/PMMA before onset of cavitation. Stripe shape in green color represents the slippage path of DNT reinforcement during tensile deformation. It is clearly observed that original damage initiates at the interface; (b) cavity (represented with red color) evolution with 0.5% and 5% DNT, respectively; (c) single-bridging and network interlocking in DNT/PMMA with 0.5% and 5% DNT, respectively; (d) crazes in DNT/PMMA modeling by the coarse-grained method and full molecular dynamics method. The Connolly surfaces (green dots) of the DNT and PMMA chains are depicted to present the nonbond interaction.