Paper Abstract and Keywords |
Presentation |
2007-10-05 10:20
A Quantum Chemical Molecular Dynamics Study on Formation Process of Diamond-Like Carbon Film Aodun Qimuge, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Akira Miyamoto (Tohoku Univ.) SDM2007-182 Link to ES Tech. Rep. Archives: SDM2007-182 |
Abstract |
(in Japanese) |
(See Japanese page) |
(in English) |
Diamond-like carbon (DLC) films are widely used as the coating materials in sliding parts. Because they show low friction and good wear resistance. In order to design DLC films which can be utilized to various usages and purposes, it is necessary to evaluate its characteristics caused by the difference of film quality. We have developed molecular dynamics method with chemical reaction which was used to prepare the DLC model. However, the investigations by the quantum theory are also needed for the analysis of the tribochemical reaction between the carbon atoms. From the point of this view, in this study we have prepared a DLC film using the first principle calculation program CASTEP. In addition, we study the DLC Formation process by using the molecular dynamics method with chemical reaction NEW-RYUDO-CR and the tight-binding quantum molecular dynamics method developed in this laboratory. |
Keyword |
(in Japanese) |
(See Japanese page) |
(in English) |
Diamond-like carbon / Tight-Binding quantum molecular / Formation process / / / / / |
Reference Info. |
IEICE Tech. Rep., vol. 107, no. 245, SDM2007-182, pp. 29-30, Oct. 2007. |
Paper # |
SDM2007-182 |
Date of Issue |
2007-09-27 (SDM) |
ISSN |
Print edition: ISSN 0913-5685 Online edition: ISSN 2432-6380 |
Copyright and reproduction |
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SDM2007-182 Link to ES Tech. Rep. Archives: SDM2007-182 |
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