Simple Molecular Systems at Very High Pressures : computer simulation studies

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抄録

We discuss the application of ab initio molecular dynamics simulations results to a variety of simple molecular systems under pressure. In particular we consider the polymerization and subsequent amorphization of C<SUB>2</SUB>H<SUB>2</SUB> crystals upon compression up to 50 GPa, the determination of the ground state structure of the broken symmetry phase of H<SUB>2</SUB> in the pressure range 100-150 GPa, the fate of methane and ammonia along the isentrope of the middle ice layers of Neptune. We also discuss preliminary applications to O<SUB>2</SUB> and CO.

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, 172-177, 1998 

    The Japan Society of High Pressure Science and Technology

参考文献:  44件

各種コード

  • NII論文ID(NAID)
    10002689240
  • 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
    4493872
  • 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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