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ID 29252
file
creator
Maruyama, Kenji
Nakada, Masaru
subject
iron
liquid metals
liquid structure
liquid theory
Melting
Monte Carlo methods
X-ray diffraction
X-ray scattering
NDC
Physics
abstract
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)].
journal title
Physical Review B
volume
Volume 80
issue
Issue 18
date of issued
2009-11-05
publisher
American Physical Society
issn
1098-0121
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
publisher
rights
Copyright (c) 2009 American Physical Society.
relation url
department
Graduate School of Integrated Arts and Sciences