Dynamical structure of fluid mercury: Molecular-dynamics simulations
Electrochimica Acta Volume 353 Issue 32-40
Page 3389-3393
published_at 2007-10
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| File | |
| Title ( eng ) |
Dynamical structure of fluid mercury: Molecular-dynamics simulations
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| Creator |
Tanaka Shunichiro
Shimojo Fuyuki
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| Source Title |
Electrochimica Acta
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| Volume | 353 |
| Issue | 32-40 |
| Start Page | 3389 |
| End Page | 3393 |
| 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.
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| Keywords |
modelling and simulation
molecular dynamics
structure
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| NDC |
Physics [ 420 ]
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| Language |
eng
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| Resource Type | journal article |
| Publisher |
Elsevier Science BV
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| Date of Issued | 2007-10 |
| Rights |
Copyright(c) 2007 Elsevier Science BV
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| Publish Type | Author’s Original |
| Access Rights | open access |
| Source Identifier |
[ISSN] 0013-4686
[DOI] 10.1016/j.jnoncrysol.2007.05.089
[NCID] AA00633261
[DOI] http://dx.doi.org/10.1016/j.jnoncrysol.2007.05.089
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