<I>Ab initio</I> Studies on Liquids and Neutron Experiments

• Shimojo Fuyuki

  Department of Physics, Kumamoto University

Bibliographic Information

Other Title

• 第一原理的手法を用いた液体の理論研究と中性子実験
• ダイイチ ゲンリテキ シュホウ オ モチイタ エキタイ ノ リロン ケンキュウ ト チュウセイシ ジッケン

Abstract

The recent development of ab initio simulation techniques enables us to carry out reliable simulations for liquid-state materials. As an example, we describe the results of ab initio molecular-dynamics simulations for liquid alkali-chalcogen mixtures and molten noble-metal halides. It is shown that the calculated structure factors are in good agreement with those obtained by neutron scattering experiments. We discuss the relationship between ab initio studies on liquids and neutron experiments from the viewpoint of theoretical research.

Journal

• hamon

  hamon 16 (1), 40-43, 2006

  The Japanese Society for Neutron Science

Keywords

• liquid chalcogenides
• molten halides
• ab initio
• simulation

Details

• CRID: 1390282680367690112
• NII Article ID: 130001998467
• NII Book ID: AA11905115
• DOI: 10.5611/hamon.16.40
• ISSN: 1884636X
• ISSN: 1349046X
• NDL BIB ID: 7844644
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I7844644
• Data Source:
  • JaLC
  • NDL
  • Crossref
  • CiNii Articles
  • KAKEN
• Abstract License Flag: Disallowed