Recent developments on multiscale simulations for rheology and complex flow of polymers

IF 2.2 4区工程技术 Q2 MECHANICS

Korea-Australia Rheology Journal Pub Date : 2024-10-24 DOI:10.1007/s13367-024-00112-2

Takeshi Sato, Kenji Yoshimoto

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引用次数: 0

Abstract

This review summarized the multiscale simulation (MSS) methods for polymeric liquids. Since polymeric liquids have multiscale characteristics of monomeric, mesoscopic, and macroscopic flow scales, MSSs that relate different hierarchical levels are adequate to reproduce flow properties accurately. Our review includes pioneering studies to the most advanced MSS studies on rheology predictions and flow simulations of polymeric liquids. We discuss two major types of MSS methods: the bottom-up and model-embedded MSS methods. The former method mainly connects all-atom molecular dynamics models and mesoscopic models to predict rheological properties. In contrast, the latter method, where a microscopic or mesoscopic model is embedded in a macroscopic computational domain, is designed to predict macroscopic flow properties. Finally, we also discuss MSS methods using machine learning techniques.

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来源期刊

Korea-Australia Rheology Journal 工程技术-高分子科学

CiteScore

2.80

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： The Korea-Australia Rheology Journal is devoted to fundamental and applied research with immediate or potential value in rheology, covering the science of the deformation and flow of materials. Emphases are placed on experimental and numerical advances in the areas of complex fluids. The journal offers insight into characterization and understanding of technologically important materials with a wide range of practical applications.