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J-GLOBAL ID：201902241753489260   Reference number：19A0626189

Structural studies on fluid sulfur at high temperatures and high pressures: II. Molecular structure obtained by ab initio molecular dynamics simulations

高温高圧における流体硫黄の構造研究 II ab initio分子動力学シミュレーションにより得られた分子構造【JST・京大機械翻訳】

Author (4)： Munejiri Shuji (Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8521, Japan) ,  Shimojo Fuyuki (Graduate School of Science and Technology, Kumamoto University, 860-8555, Japan) ,  Hoshino Kozo (Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8521, Japan) ,  Inui Masanori (Graduate School of Integrated Arts and Sciences, Hiroshima University, Higashi-Hiroshima, Hiroshima 739-8521, Japan)
Material： Journal of Non-Crystalline Solids  (J Non-Cryst Solid)
Volume： 510  Page： 15-19  Publication year： 2019 
JST Material Number： D0642A  ISSN： 0022-3093  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： An ab initio molecular-dynamic...

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Thesaurus term： supercritical fluid ,  *Sulfur ,  supercriticality ,  *molecular structure ,  structure factor ,  coordination number ,  sulfur content ,  double bond ,  *Computer Simulation ,  X-Ray Diffraction ,  *Molecular Dynamics Simulation ,  *computer application ,  *utilization
Semi thesaurus term： 低密度 ,  *高温高圧 , 【Automatic Indexing@JST】

Author keywords (5)： Ab initio molecular dynamics simulation ,  Liquid sulfur ,  Molecular structure ,  Local structure ,  Supercritical fluid

JST classification (1)： Structure of liquids in general  (BK02010E)

Terms in the title (6)： 高温高圧 ,  流体 ,  硫黄 ,  研究 ,  分子動力学シミュレーション ,  分子構造