Li, Xiao-Wei Joe, Min-Woong Wang, Ai-Ying Lee, Kwang-Ryeol 2024-01-20T11:34:51Z 2024-01-20T11:34:51Z 2021-09-04 2013-08-15 0257-8972 https://pubs.kist.re.kr/handle/201004/127772 The residual stress and atomic bond structure of Si-incorporated diamond-like carbon films were investigated by the molecular dynamics simulation using Tersoff interatomic potential. The effect of Si incorporation into amorphous carbon matrix was analyzed for the various Si concentrations ranging from 0 to 2.1 at.%. The present simulation revealed that the incorporation of a small amount of Si significantly reduced the residual compressive stress: when the Si content was 0.54 at.%, the minimal compressive stress of 1.4 GPa was observed. Structural analysis using the radial distribution function and the bond angle distribution indicated that the compressive stress reduction resulted from the relaxation of highly distorted bond angles less than 109.5 degrees. (C) 2012 Elsevier B.V. All rights reserved. English ELSEVIER SCIENCE SA TETRAHEDRAL AMORPHOUS-CARBON TRIBOLOGICAL PROPERTIES STRUCTURAL-PROPERTIES DLC COATINGS THIN-FILMS DEPOSITION GROWTH MODEL SIMULATIONS ENERGY Stress reduction of diamond-like carbon by Si incorporation: A molecular dynamics study Article 10.1016/j.surfcoat.2012.06.031 1 SURFACE & COATINGS TECHNOLOGY, v.228, pp.S190 - S193 SURFACE & COATINGS TECHNOLOGY 228 S190 S193 scie scopus 000323628400041 2-s2.0-84879793774 Materials Science, Coatings & Films Physics, Applied Materials Science Physics Article; Proceedings Paper TETRAHEDRAL AMORPHOUS-CARBON TRIBOLOGICAL PROPERTIES STRUCTURAL-PROPERTIES DLC COATINGS THIN-FILMS DEPOSITION GROWTH MODEL SIMULATIONS ENERGY Diamond-like carbon Residual stress Si incorporation Molecular dynamics simulation