Effects of diffused hydrogen atoms on thermomechanical properties and contact behavior of a diamond-like carbon film

Benjamin Dankesreiter, Jingan Song, Shahriar Mufid Rahman, Nayem Mohammed Reza Shah, Chang Dong Yeo

Research output: Contribution to journalArticlepeer-review

Abstract

Hydrogen atoms are doped to diamond-like carbon (DLC) to improve its thermomechanical properties and tribological performance as a surface protective coating. In this study, molecular dynamics (MD) simulations are performed to investigate the impacts of diffused H atoms on the mechanical stiffness, surface energy, specific heat, and thermomechanical contact behavior of DLC. The hydrogenated DLC (a-C:H) is prepared by adding H atoms to a fixed amount of C atoms (method 1) and by replacing C atoms in DLC with H atoms (method 2). The atomic percentage of hydrogen (at. % H) in DLC is varied from 0 to 8.6%. From the systematic MD simulation results, it is observed that the DLC's mechanical stiffness increases with at. % H due to the increasing density with a higher sp3%, but it shows a decreasing trend for method 2 due to the decreasing density. During the sliding contact with a hemispherical diamond tip, the a-C:H samples show a lower coefficient of friction (COF) than the hydrogen-free DLC (ta-C) sample for method 1 but a higher COF for method 2, which can be attributed to the changes in density and surface energy with respect to hydrogen contents in DLC.

Original languageEnglish
Article number025303
JournalJournal of Applied Physics
Volume130
Issue number2
DOIs
StatePublished - Jul 14 2021

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