Thermal Conductivity of MgO at High Pressures

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抄録

The first non-empirical prediction of lattice thermal conductivity of MgO has been determined using molecular dynamics (MD), a non-empirical ionic model (the Variationally Induced Breathing (VIB) model), and Green-Kubo theory. The computation is first-principles is the sense that no parameters are fit to experiment. Results are presented at low pressure as a function of temperature, and for 2500K for pressures to 290 GPa. We find an unexpectedly small pressure effect at small compressions, perhaps due to saturation of thermal conductivity at the high temperatures due to the small mean free path. At higher pressure expected behavior is found.

収録刊行物

  • 高圧力の科学と技術 = The Review of high pressure science and technology

    高圧力の科学と技術 = The Review of high pressure science and technology 7, 160-162, 1998

    The Japan Society of High Pressure Science and Technology

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各種コード

  • NII論文ID(NAID)
    10002689178
  • NII書誌ID(NCID)
    AN10452913
  • 本文言語コード
    ENG
  • 資料種別
    ART
  • ISSN
    0917639X
  • NDL 記事登録ID
    4493868
  • NDL 雑誌分類
    ZP1(科学技術--化学・化学工業)
  • NDL 請求記号
    Z17-1589
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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