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| 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 |
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| 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 |
All rights are reserved and no part of this publication may be reproduced or transmitted in any form or by any means, electronic or mechanical, including photocopy, recording, or any information storage and retrieval system, without permission in writing from the publisher. Notwithstanding, instructors are permitted to photocopy isolated articles for noncommercial classroom use without fee. (License No.: 10GA0019/12GB0052/13GB0056/17GB0034/18GB0034) | |
| Download PDF | SDM2007-182 |
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| Conference Information | |
| Committee | SDM |
| Conference Date | 2007-10-04 - 2007-10-05 |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | Tohoku Univ. |
| Topics (in Japanese) | (See Japanese page) |
| Topics (in English) | Process Science and Novel Process Technologies |
| Paper Information | |
| Registration To | SDM |
| Conference Code | 2007-10-SDM |
| Language | Japanese |
| Title (in Japanese) | (See Japanese page) |
| Sub Title (in Japanese) | (See Japanese page) |
| Title (in English) | A Quantum Chemical Molecular Dynamics Study on Formation Process of Diamond-Like Carbon Film |
| Sub Title (in English) | |
| Keyword(1) | Diamond-like carbon |
| Keyword(2) | Tight-Binding quantum molecular |
| Keyword(3) | Formation process |
| Keyword(4) | |
| Keyword(5) | |
| Keyword(6) | |
| Keyword(7) | |
| Keyword(8) | |
| 1st Author's Name | Aodun Qimuge |
| 1st Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 2nd Author's Name | Yusuke Morita |
| 2nd Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 3rd Author's Name | Ai Suzuki |
| 3rd Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 4th Author's Name | Riadh Sahnoun |
| 4th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 5th Author's Name | Michihisa Koyama |
| 5th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 6th Author's Name | Hideyuki Tsuboi |
| 6th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 7th Author's Name | Nozomu Hatakeyama |
| 7th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 8th Author's Name | Akira Endou |
| 8th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 9th Author's Name | Hiromitsu Takaba |
| 9th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 10th Author's Name | Momoji Kubo |
| 10th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 11th Author's Name | Carlos A. Del Carpio |
| 11th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 12th Author's Name | Akira Miyamoto |
| 12th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| Speaker | Author-1 |
| Date Time | 2007-10-05 10:20:00 |
| Presentation Time | 25 minutes |
| Registration for | SDM |
| Paper # | SDM2007-182 |
| Volume (vol) | vol.107 |
| Number (no) | no.245 |
| Page | pp.29-30 |
| #Pages | 2 |
| Date of Issue | 2007-09-27 (SDM) |
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