Molecular dynamics simulation of shear-induced graphitization of amorphous carbon films

作者：Ma, Tian-Bao^*; Hu, Yuan-Zhong; Wang, Hui

来源：Carbon, 2009, 47(8): 1953-1957.

DOI：10.1016/j.carbon.2009.03.040

• DIAMOND-LIKE-CARBON
• INDUCED PHASE-TRANSFORMATION
• FRICTION
• COATINGS
• SCALE
• STRESSES
• SURFACE

The shear-induced graphitization of amorphous carbon (a-C) films in sliding contact with a diamond counterface is investigated by molecular dynamics (MD) simulations. The gradual formation of a graphene-like sp(2) dominant layer on the a-C film surface is observed after steady-state sliding has been achieved, which provides direct evidence for the experimental observations of friction induced graphitization of a-C film. After the graphitized layer is formed, the relative sliding occurs between the graphitized atomic layers. During the shearing process, the biaxial stress in the graphitized layer experiences a transition from highly compressive (42 GPa) to tensile (-3 GPa). It is the relaxation of the local biaxial stress that leads to the sp(3)-to-sp(2) structural transformation.

• 出版日期2009-7
• 单位清华大学