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A Scaling Algorithm of Self-avoiding Chain Adsorbed on the Surface

机译:吸附在表面的自规链的缩放算法

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摘要

A single polymer chain with one end tethered to an impenetrable flat surface is simulated by using Monte Carlo simulation method. The polymer chain is generated using self-avoiding walk method in the simple cubic lattice. The monomer does Brownian motion by the bond-fluctuation method in the simulation. After a long Monte Carlo step, the conformation of the chain reaches equilibrium. There is a scaling relation between the surface contact number M and the chain length N at the critical adsorption temperature T_c. The scaling algorithm is presented to determine the critical adsorption point T_c. by the variance between the interpolation value and the curve fitting value. The dependence of the surface contact number M on the chain length TV is presented near the critical adsorption point T_c by two critical exponents ø and & The results provide a new efficient method to locate the critical adsorption point and to find out the critical exponents.
机译:使用蒙特卡罗模拟方法模拟了一条末端拴在不可穿透的平坦表面上的聚合物链。聚合物链是在简单的立方晶格中使用自动规避行走方法生成的。在模拟中,单体通过键涨落法进行布朗运动。经过漫长的蒙特卡洛步骤后,链的构象达到平衡。在临界吸附温度T_c下,表面接触数M与链长N之间存在比例关系。提出了定标算法以确定临界吸附点T_c。插值和曲线拟合值之间的差异。表面接触数M对链长TV的依赖性由两个临界指数φ和&给出,位于临界吸附点T_c附近。该结果为定位临界吸附点和找出临界指数提供了一种新的有效方法。

著录项

  • 来源
    《Journal of software》 |2013年第12期|3200-3205|共6页
  • 作者单位

    Department of Computer Science, Wenzhou Vocational and Technical College, Wenzhou, China;

    Department of Computer Science, Wenzhou Vocational and Technical College, Wenzhou, China;

    Department of Computer, Wenzhou University, Wenzhou, China;

    Department of Computer, Wenzhou University, Wenzhou, China;

    Department of Computer, Wenzhou University, Wenzhou, China;

    School of Computer Science and Technology, Shandong University, Jinan, China;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    simulation; chain; critical adsorption; scaling method;

    机译:模拟;链;临界吸附缩放方法;

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