Icosahedral ordering in liquid iron studied via x-ray scattering and Monte Carlo simulations
Use this link to cite this item : https://ir.lib.hiroshima-u.ac.jp/00029252
ID | 29252 |
file | |
creator |
Maruyama, Kenji
Nakada, Masaru
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subject | iron
liquid metals
liquid structure
liquid theory
Melting
Monte Carlo methods
X-ray diffraction
X-ray scattering
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NDC |
Physics
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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)].
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journal title |
Physical Review B
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volume | Volume 80
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issue | Issue 18
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date of issued | 2009-11-05
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publisher | American Physical Society
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issn | 1098-0121
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ncid | |
publisher doi | |
language |
eng
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nii type |
Journal Article
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HU type |
Journal Articles
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DCMI type | text
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format | application/pdf
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text version | publisher
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rights | Copyright (c) 2009 American Physical Society.
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relation url | |
department |
Graduate School of Integrated Arts and Sciences
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