A particle‐continuum coupling method for multiscale simulations of viscoelastic–viscoplastic amorphous glassy polymers. (8th October 2021)

• Record Type: Journal Article
• Authors: Zhao, Wuyang; Steinmann, Paul; Pfaller, Sebastian
• Is Part Of: International journal for numerical methods in engineering. Volume 122:Number 24(2021)
• Page Start: 7431
• Page End: 7451
• Publication Date: 2021-10-08
• Subjects: inelasticity -- multiscale simulation -- particle‐continuum coupling -- partitioned‐domain method -- temporal coupling -- thermoplastic polymers; Numerical analysis -- Periodicals; Engineering mathematics -- Periodicals; 620.001518
• DOI: 10.1002/nme.6836
• Languages: English
• ISSNs: 0029-5981

Abstract

Abstract: 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.