共聚物和共聚物溶剂系统的无条件稳定算法

IF 1.2 Q3 PHYSICS, MULTIDISCIPLINARY Papers in Physics Pub Date : 2020-06-15 DOI:10.4279/pip.120001
A. Pezzutti, H. Hernández
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引用次数: 3

摘要

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。
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Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
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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来源期刊
Papers in Physics
Papers in Physics PHYSICS, MULTIDISCIPLINARY-
CiteScore
1.90
自引率
0.00%
发文量
13
期刊介绍: Papers in Physics publishes original research in all areas of physics and its interface with other subjects. The scope includes, but is not limited to, physics of particles and fields, condensed matter, relativity and gravitation, nuclear physics, physics of fluids, biophysics, econophysics, chemical physics, statistical mechanics, soft condensed matter, materials science, mathematical physics and general physics. Contributions in the areas of foundations of physics, history of physics and physics education are not considered for publication. Articles published in Papers in Physics contain substantial new results and ideas that advance the state of physics in a non-trivial way. Articles are strictly reviewed by specialists prior to publication. Papers in Physics highlights outstanding articles published in the journal through the Editors'' choice section. Papers in Physics offers two distinct editorial treatments to articles from which authors can choose. In Traditional Review, manuscripts are submitted to anonymous reviewers seeking constructive criticism and editors make a decision on whether publication is appropriate. In Open Review, manuscripts are sent to reviewers. If the paper is considered original and technically sound, the article, the reviewer''s comments and the author''s reply are published alongside the names of all involved. This way, Papers in Physics promotes the open discussion of controversies among specialists that are of help to the reader and to the transparency of the editorial process. Moreover, our reviewers receive their due recognition by publishing a recorded citable report. Papers in Physics publishes Commentaries from the reviewer(s) if major disagreements remain after exchange with the authors or if a different insight proposed is considered valuable for the readers.
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