Effect of chain length on nanoscratching of polystyrene: a molecular dynamics study

Junjie Zhang; Kai Du; Fangda Xu; Tao Sun; Yongjian Tang

doi:10.1117/12.971202

15 October 2012 Effect of chain length on nanoscratching of polystyrene: a molecular dynamics study

Junjie Zhang, Kai Du, Fangda Xu, Tao Sun, Yongjian Tang

Proceedings Volume 8418, 6th International Symposium on Advanced Optical Manufacturing and Testing Technologies: Design, Manufacturing, and Testing of Smart Structures, Micro- and Nano-Optical Devices, and Systems; 84180U (2012) https://doi.org/10.1117/12.971202
Event: 6th International Symposium on Advanced Optical Manufacturing and Testing Technologies (AOMATT 2012), 2012, Xiamen, China

Abstract

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.

Citation Download Citation

Junjie Zhang, Kai Du, Fangda Xu, Tao Sun, and Yongjian Tang "Effect of chain length on nanoscratching of polystyrene: a molecular dynamics study", Proc. SPIE 8418, 6th International Symposium on Advanced Optical Manufacturing and Testing Technologies: Design, Manufacturing, and Testing of Smart Structures, Micro- and Nano-Optical Devices, and Systems, 84180U (15 October 2012); https://doi.org/10.1117/12.971202

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