Molecular Simulations of Mixing of Two Distinct Fluids and its visualization

1.基于表面张力的性质，我们建立了一个分离两种不同流体的二维流体膜模型。通过Monte Carlo方法对模型的正则系综平均进行模拟，我们发现：（a）只考虑表面张力性质的模型存在二级相变;（B）具有面积不保持性质的模型和具有自不相交性质的模型也存在二级相变. MC还研究了作为动力学变量的固定三角网格模型。通过使用使每个分子的键数尽可能均匀的三角网格，我们发现（a）固定三角网格模型具有二级相变，（b）任何数值实验结果都与三角网格无关，（B）任何数值实验结果都与三角网格无关，（c）动态三角剖分模型和固定三角剖分模型由于临界指数的不同而不同.以下研究尚待完成：（a）大规模数值试验。(b)固定三角网的模型是否完全独立于三角网？(c)将Langevin模拟、分子动力学模拟等数值技术应用于流体膜模型。

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.