A particle‐continuum coupling method for multiscale simulations of viscoelastic‐viscoplastic amorphous glassy polymers

Zhao W, Steinmann P, Pfaller S (2021)

Publication Type: Journal article, Original article

Publication year: 2021

Journal

International Journal for Numerical Methods in Engineering Wiley

Original Authors: Wuyang Zhao, Paul Steinmann, Sebastian Pfaller

DOI: 10.1002/nme.6836

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.

Authors with CRIS profile

Wuyang Zhao Lehrstuhl für Technische Mechanik Paul Steinmann Lehrstuhl für Technische Mechanik Sebastian Pfaller Lehrstuhl für Technische Mechanik

Additional Organisation(s)

Graduiertenkolleg 2423 Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik

Related research project(s)

Teilprojekt P6 - Fracture in Thermoplastics: Discrete-to-Continuum (GRK2423 - P6) Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL) (GRK 2423 FRASCAL) Jan. 2, 2019 - Dec. 31, 2027 Identification of interphase properties in nanocomposites Oct. 15, 2018 - Jan. 31, 2024 Identifikation von Interphaseneigenschaften in Nanokompositen Oct. 1, 2018 - Sept. 30, 2020

How to cite

APA:

Zhao, W., Steinmann, P., & Pfaller, S. (2021). A particle‐continuum coupling method for multiscale simulations of viscoelastic‐viscoplastic amorphous glassy polymers. International Journal for Numerical Methods in Engineering. https://dx.doi.org/10.1002/nme.6836

MLA:

Zhao, Wuyang, Paul Steinmann, and Sebastian Pfaller. "A particle‐continuum coupling method for multiscale simulations of viscoelastic‐viscoplastic amorphous glassy polymers." International Journal for Numerical Methods in Engineering (2021).

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