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ID 29252
本文ファイル
著者
Maruyama, Kenji
Nakada, Masaru
キーワード
iron
liquid metals
liquid structure
liquid theory
Melting
Monte Carlo methods
X-ray diffraction
X-ray scattering
NDC
物理学
抄録(英)
X-ray diffraction measurements were carried out for liquid iron near the melting temperature and atomic configurations were constructed from the structure factor S(Q) obtained, by reverse Monte Carlo modeling and Monte Carlo simulation with the effective pair potential deduced by the inverse method. The bond-orientational order parameter W-6 calculated from the atomic configurations obtained from both simulations indicates a pronounced icosahedral ordering, and the fraction of nearly icosahedral configurations is estimated to be approximately 14% in liquid iron. These experimentally obtained results seem consistent with recent results of ab initio molecular-dynamics simulation for liquid iron [P. Ganesh and M. Widom, Phys. Rev. B 77, 014205 (2008)].
掲載誌名
Physical Review B
80巻
18号
出版年月日
2009-11-05
出版者
American Physical Society
ISSN
1098-0121
NCID
出版者DOI
言語
英語
NII資源タイプ
学術雑誌論文
広大資料タイプ
学術雑誌論文
DCMIタイプ
text
フォーマット
application/pdf
著者版フラグ
publisher
権利情報
Copyright (c) 2009 American Physical Society.
関連情報URL
部局名
総合科学研究科