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ID 21462
file
creator
Tanaka, Shunichiro
Shimojo, Fuyuki
subject
modelling and simulation
molecular dynamics
structure
NDC
Physics
abstract
We have carried out molecular-dynamics simulations for nonmetallic fluid mercury in liquid and vapor phases using a Lennard-Jones type effective potential and shown that the structure factors S(Q) and the dynamic structure factors S(Q, omega) of nonmetallic fluid mercury obtained by our MD simulations are in good agreement with recent X-ray diffraction and inelastic X-ray scattering experiments. We conclude from these results that, though the fluid mercury which shows a metal-nonmetal transition is a 'complex' fluid, the nonmetallic fluid mercury is a relatively 'simple' liquid, which can be well described by the single density-independent Lennard-Jones type potential.
journal title
Electrochimica Acta
volume
Volume 353
issue
Issue 32-40
start page
3389
end page
3393
date of issued
2007-10
publisher
Elsevier Science BV
issn
0013-4686
ncid
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
author
rights
Copyright(c) 2007 Elsevier Science BV
relation is version of URL
http://dx.doi.org/10.1016/j.jnoncrysol.2007.05.089
department
Graduate School of Integrated Arts and Sciences