Molecular Turbulence : rearrangement dynamics of network
| Project/Area Number |
06640502
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| Research Category |
Grant-in-Aid for General Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Research Field |
物性一般(含基礎論)
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| Research Institution | Nagoya University |
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Principal Investigator |
SASAI Masaki Nagoya University, Graduate School of Human Informatics, Assoc.Pfor., 人間情報学研究科, 助教授 (30178628)
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| Project Period (FY) |
1994 – 1995
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| Project Status |
Completed (Fiscal Year 1995)
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| Budget Amount *help |
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 1995: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1994: ¥1,500,000 (Direct Cost: ¥1,500,000)
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| Keywords | hydrogen bond / random network / moleculer turbulence / 1 / f-noise / 自己秩序臨界状態 / f ゆらぎ |
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| Research Abstract |
Hydrogen bond network was regarded as a random graph on the lattice and represented by a 0-1 bit pattern. Dynamical rearrangement of this random graph was followed with the coupled-map-lattice technique. Energy fluctuation of this model was shown to have the 1/f-like long time fluctuation as was previously found in the molecular dynamics study. Due to the relative easiness of statistical sampling in this model, it is possible to obtain clearer view than in MD simulations. Radial distribution function in this model was analyzed in detail. More efforts are being concentrated to get the quantitative law of spatiotemporal network fluctuations and to examine the effects on solutes and solute reactions.
Results of the random graph model was compared with the MD calculation. We found that in the MD calculation, there are strong local fluctuations of structural ordering and disordering. Each water molecule goes through the strucuturally ordered and disorderd periods which last as long as a few picoseconds. A new measure of the structural order, local strutural index (LSI) was defined and the spatio-temporal pattern of LSI was analyzed.
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Report
(3 results)
Research Products
(8 results)
