Tribology and Materials | Volume 5 | Issue 2 | 2026 | 94-104
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https://doi.org/10.46793/tribomat.2026.010
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Molecular dynamics simulation of ion energy influence on cathodic arc deposition of TiAlCN thin film
Duc Luan Nguyen
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Duc Cuong Pham
HaUI Institute of Technology, Hanoi University of Industry, Hanoi, Vietnam
Abstract: TiAlCN thin-film coatings have attracted significant interest due to their high stiffness, low friction and good thermal stability. Despite progress in experimental deposition techniques such as cathodic arc and sputtering, the underlying growth mechanisms are still not fully understood. In this study, molecular dynamics (MD) simulations were employed to investigate the effect of additional energy on the deposition of TiAlCN coatings on Fe substrates. The deposition process of Ti, Al, C and N atoms was modelled at energy levels of − 60, − 80, − 100 and − 120 V. Main properties, including hardness, coefficient of friction (COF) and surface roughness, were evaluated. The results indicate that an additional energy of − 80 V yields a maximum hardness of 27.3 GPa. The lowest surface roughness (3.802 Å) and the minimum COF (0.498) were obtained at − 100 V. These findings show reasonable agreement with the experimental data, supporting the validity of the simulation approach. Overall, the study suggests that controlling additional energy during deposition may be an effective strategy for optimising TiAlCN coating properties, while also providing a useful reference for experimental design.
Keywords: cathodic arc technique, coefficient of friction, molecular dynamics, hardness, surface roughness, TiAlCN thin film, ion energy.
Received: 21-03-2026, Revised: 12-05-2026, Accepted: 02-06-2026
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) license, which allows users to distribute, remix, adapt,
and build upon the material in any medium or format for non-commercial purposes only, and only so long as attribution is given to the creator.
Abstract: TiAlCN thin-film coatings have attracted significant interest due to their high stiffness, low friction and good thermal stability. Despite progress in experimental deposition techniques such as cathodic arc and sputtering, the underlying growth mechanisms are still not fully understood. In this study, molecular dynamics (MD) simulations were employed to investigate the effect of additional energy on the deposition of TiAlCN coatings on Fe substrates. The deposition process of Ti, Al, C and N atoms was modelled at energy levels of − 60, − 80, − 100 and − 120 V. Main properties, including hardness, coefficient of friction (COF) and surface roughness, were evaluated. The results indicate that an additional energy of − 80 V yields a maximum hardness of 27.3 GPa. The lowest surface roughness (3.802 Å) and the minimum COF (0.498) were obtained at − 100 V. These findings show reasonable agreement with the experimental data, supporting the validity of the simulation approach. Overall, the study suggests that controlling additional energy during deposition may be an effective strategy for optimising TiAlCN coating properties, while also providing a useful reference for experimental design.
Keywords: cathodic arc technique, coefficient of friction, molecular dynamics, hardness, surface roughness, TiAlCN thin film, ion energy.
Received: 21-03-2026, Revised: 12-05-2026, Accepted: 02-06-2026
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This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) license, which allows users to distribute, remix, adapt, and build upon the material in any medium or format for non-commercial purposes only, and only so long as attribution is given to the creator.