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...

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Main Authors: Aldo Pezzutti, Hugo Hernández
Format: Article
Language:English
Published: Papers in Physics 2020-06-01
Series:Papers in Physics
Subjects:
Online Access:https://www.papersinphysics.org/papersinphysics/article/view/572
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author Aldo Pezzutti
Hugo Hernández
author_facet Aldo Pezzutti
Hugo Hernández
author_sort Aldo Pezzutti
collection DOAJ
description 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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spelling doaj.art-33f8f42f86c94313a38cdd042b17c8712022-12-22T00:14:23ZengPapers in PhysicsPapers in Physics1852-42492020-06-011210.4279/pip.120001Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent SystemsAldo Pezzutti0Hugo Hernández1Instituto de Física del Sur (IFISUR), Universidad Nacional del Sur (UNS), Av. Alem 1253 (8000), Bahía Blanca, Argentina Universidad Nacional del Sur (UNS), Av. Alem 1253 (8000), Bahía Blanca, ArgentinaIn 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.https://www.papersinphysics.org/papersinphysics/article/view/572Unconditionally stableCDSCahn Hilliard
spellingShingle Aldo Pezzutti
Hugo Hernández
Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
Papers in Physics
Unconditionally stable
CDS
Cahn Hilliard
title Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
title_full Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
title_fullStr Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
title_full_unstemmed Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
title_short Unconditionally Stable Algorithm for Copolymer and Copolymer-Solvent Systems
title_sort unconditionally stable algorithm for copolymer and copolymer solvent systems
topic Unconditionally stable
CDS
Cahn Hilliard
url https://www.papersinphysics.org/papersinphysics/article/view/572
work_keys_str_mv AT aldopezzutti unconditionallystablealgorithmforcopolymerandcopolymersolventsystems
AT hugohernandez unconditionallystablealgorithmforcopolymerandcopolymersolventsystems