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| Presentation | 2007-10-04 13:25 Theoretical Prediction of Kinetic Properties of MgO by Molecular Dynamics Method Hiroaki Onuma, Kazumi Serizawa, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio (Tohoku Univ.), Hiroshi Kajiyama, Tsutae Shinoda (Hiroshima Univ.), Akira Miyamoto (Tohoku Univ.)  SDM2007-171 |
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| Abstract | (in Japanese) | (See Japanese page) |
| (in English) | Theoretical predictions of kinetic properties under interfaces and extreme conditions, such as high electric field or high pressure, are very effective for the device designing because of difficulty of experimental determinations under such extreme conductions. In this study, to estimate the kinetic properties of MgO, we carried out the molecular dynamics (MD) simulation and estimated the atomistic behaviors of MgO. Our estimated Poisson’s ratio was 0.2 and it was in good agreement with that obtained by experiment. Moreover, we also carried out the MD simulation considered the forces corresponding to the electric field and could predate the MgO deformation under electric field. | |
| Keyword | (in Japanese) | (See Japanese page) |
| (in English) | Molecular dynamics method / Poisson’s ratio / Young’s modulus / Electric field / / / / | |
| Reference Info. | IEICE Tech. Rep., vol. 107, no. 245, SDM2007-171, pp. 3-4, Oct. 2007. | |
| Paper # | SDM2007-171 | |
| 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 | SDM2007-171 |
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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) | Theoretical Prediction of Kinetic Properties of MgO by Molecular Dynamics Method |
| Sub Title (in English) | |
| Keyword(1) | Molecular dynamics method |
| Keyword(2) | Poisson’s ratio |
| Keyword(3) | Young’s modulus |
| Keyword(4) | Electric field |
| Keyword(5) | |
| Keyword(6) | |
| Keyword(7) | |
| Keyword(8) | |
| 1st Author's Name | Hiroaki Onuma |
| 1st Author's Affiliation | Tohoku University (Tohoku Univ.) |
| 2nd Author's Name | Kazumi Serizawa |
| 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 | Hiroshi Kajiyama |
| 12th Author's Affiliation | Hiroshima University (Hiroshima Univ.) |
| 13th Author's Name | Tsutae Shinoda |
| 13th Author's Affiliation | Hiroshima University (Hiroshima Univ.) |
| 14th Author's Name | Akira Miyamoto |
| 14th Author's Affiliation | Tohoku University (Tohoku Univ.) |
| Speaker | Author-1 |
| Date Time | 2007-10-04 13:25:00 |
| Presentation Time | 25 minutes |
| Registration for | SDM |
| Paper # | SDM2007-171 |
| Volume (vol) | vol.107 |
| Number (no) | no.245 |
| Page | pp.3-4 |
| #Pages | 2 |
| Date of Issue | 2007-09-27 (SDM) |
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