Coil-bridge transition and Monte Carlo simulation of a stretched polymer
Coil-bridge transition and Monte Carlo simulation of a stretched polymer
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DOI：
10.1103/physreve.84.041809
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发表时间：
2011-10-25
影响因子：
2.4
通讯作者：
Chen, Jeff Z. Y.
中科院分区：
文献类型：
--
作者：
Chen, Jeff Z. Y.
研究了由短程力吸引到远处平坦壁表面层的接枝自回避聚合物链组成的系统结构。在低吸引能的线圈状态和高吸引能的桥状态之间确定一阶转变。系统的转移特性是通过蒙特卡罗模拟获得的，该模拟使用逆态密度作为转移权重，并重新加权回到规范系综。态密度的测定遵循修正的 Wang-Landau 程序，其中使用距接枝位点的质心距离作为变量。还给出了观察到的数值结果的缩放参数。
The structure of the system consisting of a grafted self-avoiding polymer chain attracted to the surface layer of a flat wall at a distance away by a short-ranged force is investigated. A first-order transition is determined between the coil state at a low attraction energy and the bridge state at a high attraction energy. The transition properties of the system are obtained by a Monte Carlo simulation, which uses the inverse density of states as the transition weight and is reweighted back to a canonical ensemble. The determination of the density of states follows a revised Wang-Landau procedure in which the center-of-mass distance from the grafted site is used as the variable. Scaling arguments are also given for the observed numerical results.