Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems

IF 1.2 Q3 PHYSICS, MULTIDISCIPLINARY

Papers in Physics Pub Date : 2020-06-15 DOI:10.4279/pip.120001

A. Pezzutti, H. Hernández

引用次数: 3

Abstract

In the time evolution simulation of a copolymer system towards its equilibrium configuration, it is common to use the Otha-Kawasaki approach for free energy and time evolution by means of a Cahn-Hilliard diffusion equation. The conventional numerical resolution is to use the cell dynamics simulation method (CDS). Although this method gives an adequate response, it is limited since it needs very small time steps to present both appropriate resolution and stability. Recently, unconditionally stable methods have been used in gradient systems that provide adequate resolution and stability with a greater time step in solving Cahn-Hilliard equations. In this paper, we develop and implement unconditionally stable algorithms for copolymer-solvent systems and for the resolution of the time evolution of block copolymer systems under the Otha-Kawasaki functional.

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共聚物和共聚物溶剂系统的无条件稳定算法

在共聚物系统向其平衡构型的时间演化模拟中，通常使用Otha Kawasaki方法通过Cahn Hilliard扩散方程进行自由能和时间演化。传统的数值分辨率是使用细胞动力学模拟方法（CDS）。尽管这种方法给出了足够的响应，但它是有限的，因为它需要非常小的时间步长来呈现适当的分辨率和稳定性。最近，在梯度系统中使用了无条件稳定的方法，这些方法在求解Cahn-Hilliard方程时提供了足够的分辨率和稳定性，并具有更大的时间步长。在本文中，我们开发并实现了共聚物-溶剂系统的无条件稳定算法，以及在Otha Kawasaki泛函下解决嵌段共聚物系统的时间演化的算法。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Papers in Physics PHYSICS, MULTIDISCIPLINARY-

CiteScore

1.90

自引率

0.00%

发文量

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