Chaofan Yao, Huanhuan Cao, Zhanyuan Xu*, Lichun Bai*
CMES-Computer Modeling in Engineering & Sciences, Vol.141, No.3, pp. 2107-2119, 2024, DOI:10.32604/cmes.2024.055743
- 31 October 2024
Abstract Shear deformation mechanisms of diamond-like carbon (DLC) are commonly unclear since its thickness of several micrometers limits the detailed analysis of its microstructural evolution and mechanical performance, which further influences the improvement of the friction and wear performance of DLC. This study aims to investigate this issue utilizing molecular dynamics simulation and machine learning (ML) techniques. It is indicated that the changes in the mechanical properties of DLC are mainly due to the expansion and reduction of sp3 networks, causing the stick-slip patterns in shear force. In addition, cluster analysis showed that the sp2-sp3 transitions arise… More >
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