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3 - Fundamentals of Mesoscale Simulation Methods

Published online by Cambridge University Press:  29 June 2023

Yong Du ,
Rainer Schmid-Fetzer ,
Jincheng Wang ,
Shuhong Liu ,
Jianchuan Wang  and
Zhanpeng Jin
Yong Du
Affiliation:
Central South University, China
Rainer Schmid-Fetzer
Affiliation:
Clausthal University of Technology, Germany
Jincheng Wang
Affiliation:
Northwestern Polytechnical University, China
Shuhong Liu
Affiliation:
Central South University, China
Jianchuan Wang
Affiliation:
Central South University, China
Zhanpeng Jin
Affiliation:
Central South University, China
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Summary

In Chapter 3, we mainly focus on the fundamentals of typical mesoscale simulation methods, which can provide a bridge between atomistic structures and macroscopic properties of materials. Among many mesoscale simulation methods, the phase-field and cellular automaton methods are extremely popular and powerful for simulating microstructure evolution. Consequently, we first give a detailed introduction on the fundamentals of the two methods, briefly describing some other mesoscale simulation methods, such as level set and front tracking. After that, application examples using individual mesoscale simulation methods and integrations of the phase-field method with other simulation methods such as atomistic simulation, crystal plasticity, CALPHAD, and machine learning are described in detail. Finally, a case study for design of high-energy-density polymer nanocomposites using the phase-field method is very briefly presented.

Keywords

Mesoscale simulationphase-field methodphase-field crystal methodcellular automation methodintegrating phase-field and other simulation methods
Type
Chapter
Information
Computational Design of Engineering Materials
Fundamentals and Case Studies
 , pp. 46 - 94
Publisher: Cambridge University Press
Print publication year: 2023

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