Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films
作者： Tian-Bao Ma , Yuan-Zhong Hu , Hui Wang
DOI: 10.1016/J.CARBON.2009.03.040
关键词:
摘要: The shear-induced graphitization of amorphous carbon (a-C) films in sliding contact with a diamond counterface is investigated by molecular dynamics (MD) simulations. gradual formation graphene-like sp 2 dominant layer on the a-C film surface observed after steady-state has been achieved, which provides direct evidence for experimental observations friction induced film. After graphitized formed, relative occurs between atomic layers. During shearing process, biaxial stress experiences transition from highly compressive (42 GPa) to tensile (� 3 GPa). It relaxation local that leads -to-sp structural transformation.
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