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Paper Abstract and Keywords
Presentation 2014-10-10 16:05
Evaluation of thermal physical properties for thermoelectric materials by molecular dynamics method
Hirotaka Kojima, Ryo Abe, Fumiya Fujiwara, Mitsuhiro Ito, Takuya Hashizume, Ryosuke Matsubara, Masakazu Nakamura (NAIST) OME2014-46 Link to ES Tech. Rep. Archives: OME2014-46
Abstract (in Japanese) (See Japanese page) 
(in English) Molecular cluster models having different structures of C60 which shows specific thermoelectric effect have been modeled and the temperature dependence of rotational motions has been evaluated by molecular dynamics calculations. The thermal properties such as thermal conductivity and heat capacity are estimated with changing temperature, and some characteristic behavior can be observed in microcrystalline structure. This temperature agrees with the region in which drastic changes of electrical conductivity and Seebeck coefficient are observed, and thus the relationship between thermal and electrical properties is pointed out. Besides, the consistency of our calculations is confirmed by comparing X-ray diffraction patterns obtained from experiments and simulations.
Keyword (in Japanese) (See Japanese page) 
(in English) Thermoelectric effect / Seebeck effect / Molecular Dynamics / MD / Fullerene / / /  
Reference Info. IEICE Tech. Rep., vol. 114, no. 241, OME2014-46, pp. 51-56, Oct. 2014.
Paper # OME2014-46 
Date of Issue 2014-10-03 (OME) 
ISSN Print edition: ISSN 0913-5685  Online edition: ISSN 2432-6380
Copyright
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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 OME2014-46 Link to ES Tech. Rep. Archives: OME2014-46

Conference Information
Committee OME  
Conference Date 2014-10-10 - 2014-10-10 
Place (in Japanese) (See Japanese page) 
Place (in English) Osaka University Nakanoshima Center 
Topics (in Japanese) (See Japanese page) 
Topics (in English) Organic devices and sensors, etc. 
Paper Information
Registration To OME 
Conference Code 2014-10-OME 
Language Japanese 
Title (in Japanese) (See Japanese page) 
Sub Title (in Japanese) (See Japanese page) 
Title (in English) Evaluation of thermal physical properties for thermoelectric materials by molecular dynamics method 
Sub Title (in English)  
Keyword(1) Thermoelectric effect  
Keyword(2) Seebeck effect  
Keyword(3) Molecular Dynamics  
Keyword(4) MD  
Keyword(5) Fullerene  
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Keyword(8)  
1st Author's Name Hirotaka Kojima  
1st Author's Affiliation Nara Institute of Science and Technology (NAIST)
2nd Author's Name Ryo Abe  
2nd Author's Affiliation Nara Institute of Science and Technology (NAIST)
3rd Author's Name Fumiya Fujiwara  
3rd Author's Affiliation Nara Institute of Science and Technology (NAIST)
4th Author's Name Mitsuhiro Ito  
4th Author's Affiliation Nara Institute of Science and Technology (NAIST)
5th Author's Name Takuya Hashizume  
5th Author's Affiliation Nara Institute of Science and Technology (NAIST)
6th Author's Name Ryosuke Matsubara  
6th Author's Affiliation Nara Institute of Science and Technology (NAIST)
7th Author's Name Masakazu Nakamura  
7th Author's Affiliation Nara Institute of Science and Technology (NAIST)
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Speaker
Date Time 2014-10-10 16:05:00 
Presentation Time 25 
Registration for OME 
Paper # IEICE-OME2014-46 
Volume (vol) IEICE-114 
Number (no) no.241 
Page pp.51-56 
#Pages IEICE-6 
Date of Issue IEICE-OME-2014-10-03 


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