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A particle‐continuum coupling method for multiscale simulations of viscoelastic–viscoplastic amorphous glassy polymers
Author(s) -
Zhao Wuyang,
Steinmann Paul,
Pfaller Sebastian
Publication year - 2021
Publication title -
international journal for numerical methods in engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.421
H-Index - 168
eISSN - 1097-0207
pISSN - 0029-5981
DOI - 10.1002/nme.6836
Subject(s) - viscoplasticity , viscoelasticity , materials science , amorphous solid , polymer , coupling (piping) , polystyrene , statistical physics , multiscale modeling , particle (ecology) , isothermal process , molecular dynamics , constitutive equation , mechanics , classical mechanics , finite element method , physics , thermodynamics , composite material , computational chemistry , chemistry , crystallography , oceanography , quantum mechanics , geology
In this contribution, we present a partitioned‐domain method coupling a particle domain and a continuum domain for multiscale simulations of inelastic amorphous polymers under isothermal conditions. In the continuum domain, a viscoelastic–viscoplastic constitutive model calibrated from previous molecular dynamics (MD) simulations is employed to capture the inelastic properties of the polymer. Due to the material's rate‐dependence, a temporal coupling scheme is introduced. The influence of the time‐related parameters on the computational cost and accuracy is discussed. With appropriate parameters, multiscale simulations of glassy polystyrene under various loading conditions are implemented to showcase the method's capabilities to capture the mechanical behavior of polymers with different strain rates and with non‐affine deformations of the MD domain.