Multi-scale modeling method for polycrystalline materials considering grain boundary misorientation angle

Materials & Design(2022)

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摘要
•A multi-scale modeling method to generate crystal plasticity finite element models of polycrystalline materials considering grain boundary misorientation angle characteristic.•The method comprehensively considers the misorientation angle information of grain boundaries at grain-scale and atomic-scale during modeling.•The generated model is able to accurately describe the elastic–plastic behavior and the coupled transgranular-intergranular fracture behavior of polycrystalline materials.•The method has a good potential for studying the influence mechanism of misorientation angle on mechanical properties of polycrystalline materials.
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关键词
Multi-scale modeling,Grain boundary misorientation angle,Molecular dynamics,Crystal plasticity,Cohesive zone model,Pseudorandom
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