Molecular Simulations of Mixing of Two Distinct Fluids and its visualization
Grant-in-Aid for General Scientific Research (C)
|Allocation Type||Single-year Grants|
|Research Institution||Ibaraki National College of Technology|
KOIBUCHI Hiroshi Ibaraki Coll. Tech., Mechanical, Assoc. Prof., 機械工学科, 助教授 (00178196)
|Project Period (FY)
1994 – 1995
Completed(Fiscal Year 1995)
|Budget Amount *help
¥1,000,000 (Direct Cost : ¥1,000,000)
Fiscal Year 1995 : ¥1,000,000 (Direct Cost : ¥1,000,000)
|Keywords||Phase Trausition / Lnterface / Monte Carlo Simulation / Statistical Mechanics / 統計力学|
1. We build a model for 2-dimensional fluid membrane which separates two distinct fluids, based on the properties of the surface tension. By simulating the canonical ensemble average of the model via the Monte Carlo, we find
(a) a model made up only with properties of surface tension has a second order phase transition,
(b) both a model with area nonpreserving property and a model with self-nonintersecting property have also second order phase transitions respectively.
2. A model of fixed triangulation, which is a dynamical variable, is also studied by MC.By using triangulatted lattices which are made so that the number of bonds per one molecule as uniform as possible, we find
(a) a model of fixed triangulation has a second order phase transition,
(b) any results of numerical experiments are independent of the triangulation,
(c) a model with dynamical triangulation and one with fixed triangulation are expected to be different from each other because of the difference of their critical exponents.
3. The following studies are yet to be done :
(a) Large scale numerical experiments.
(b) Is the model of fixed triangulation fully independent of the triangulations?
(c) Applying the numerical techn-iques such as the Langevin simulations, molecular dynamics simulations, to the models of fluid membrane.
Research Output (4results)