論文

査読有り
2015年11月

Molecular dynamics calculations of heat conduction in actinide oxides under thermal gradient

PROGRESS IN NUCLEAR ENERGY
  • Taku Matsumoto
  • ,
  • Tatsumi Arima
  • ,
  • Yaohiro Inagaki
  • ,
  • Kazuya Idemitsu
  • ,
  • Masato Kato
  • ,
  • Teppei Uchida

85
開始ページ
271
終了ページ
276
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.pnucene.2015.06.012
出版者・発行元
PERGAMON-ELSEVIER SCIENCE LTD

Thermal conductivities of UO2, PuO2 and (U-0.8,Pu-0.(2))O-2 have been investigated by non-equilibrium molecular dynamics (NEMD) simulation between 300 K and 2000 K. The thermal conductivity was directly calculated by the temperature gradient on the system according to Fourier's law in NEMD simulation. The thermal conductivity obtained from the NEMD simulation decreases with a decrease of the supercell size, which means the phonon scattering occurs at the system boundaries in the microsystem. In addition, the present NEMD simulation, as well as previous EMD simulation studies, clearly shows that the Umklapp process causes the decrease of thermal conductivity at high temperatures. When comparison is made with literature data, the calculated results obtained from the relatively small supercell are in good agreement with the measured ones for the above actinide dioxides. (C) 2015 Elsevier Ltd. All rights reserved.

リンク情報
DOI
https://doi.org/10.1016/j.pnucene.2015.06.012
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000363349100023&DestApp=WOS_CPL
URL
http://www.scopus.com/inward/record.url?eid=2-s2.0-84934757810&partnerID=MN8TOARS
URL
http://orcid.org/0000-0002-1080-4155
ID情報
  • DOI : 10.1016/j.pnucene.2015.06.012
  • ISSN : 0149-1970
  • ORCIDのPut Code : 38952588
  • SCOPUS ID : 84934757810
  • Web of Science ID : WOS:000363349100023

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