Effect of chain length on nanoscratching of polystyrene A molecular dynamics study
JJ Zhang and K Du and FD Xu and T Sun and YJ Tang, 6TH INTERNATIONAL SYMPOSIUM ON ADVANCED OPTICAL MANUFACTURING AND TESTING TECHNOLOGIES: DESIGN, MANUFACTURING, AND TESTING OF SMART STRUCTURES, MICRO- AND NANO- OPTICAL DEVICES, AND SYSTEMS, 8418, 84180U (2012).
In current study we perform molecular dynamics simulations of nanoscratching of amorphous polystyrene. The AIREBO potential is utilized to describe intermolecular and intramolecular interactions in simulated polystyrene system. In addition, the effect of chain length on the deformation behavior of polystyrene chains, force variation, and increment of temperature and potential energy is studied. Our simulations results demonstrate the permanent deformation of polystyrene during nanoscratching is governed by chain sliding and deformation of chain itself, i.e.. change in chain structure and rotation of phenyl group. There is strong chain length dependence of the mobility of the chain, which in turn affects deformation behavior of polystyrene and machining force. The influence of chain mobility on temperature and potential energy variations is also discussed.
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