A particle‐continuum coupling method for amorphous polymers with multiple particle‐based domains

Torres Huamani D, Zhao W, Pfaller S (2023)

Publication Language: English

Publication Type: Journal article

Publication year: 2023

Journal

Proceedings in Applied Mathematics and Mechanics Gesellschaft für Angewandte Mathematik und Mechanik (GAMM)

Original Authors: David Torres Huamani, Wuyang Zhao, Sebastian Pfaller

Book Volume: 22

Article Number: e202200245

Issue: 1

DOI: 10.1002/pamm.202200245

Abstract

This contribution presents a partitioned-domain particle-continuum coupling method for amorphous polymers with multiple particle-based domains. The coupling method treats the particle-based domains with molecular dynamics (MD) simulations and the continuum domain discretized by the Finite Element (FE) method. In the continuum domain, a viscoelastic-viscoplastic (VE-VP) constitutive model derived from MD simulation results of the polymer at molecular resolution is employed. The effects of the minimum distances between the domains, the distribution and the number of the MD domains as well as the strain rates are studied under uniaxial tension. This method is a precursor for multiscale simulations of polymer-based nanocomposites (PNC).

Authors with CRIS profile

David Torres Huamani Lehrstuhl für Technische Mechanik (LTM) Wuyang Zhao Lehrstuhl für Technische Mechanik (LTM) Sebastian Pfaller Lehrstuhl für Technische Mechanik (LTM)

Additional Organisation(s)

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

Related research project(s)

Teilprojekt P12 - Postdoctoral Project: Quantum-to-Continuum Model of Thermoset Fracture (GRK2423 - P12) Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL) (GRK 2423 FRASCAL) Jan. 2, 2019 - Dec. 31, 2027 Fractures across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics/ Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik (FRASCAL) Jan. 1, 2019 - June 30, 2023

How to cite

APA:

Torres Huamani, D., Zhao, W., & Pfaller, S. (2023). A particle‐continuum coupling method for amorphous polymers with multiple particle‐based domains. Proceedings in Applied Mathematics and Mechanics, 22. https://doi.org/10.1002/pamm.202200245

MLA:

Torres Huamani, David, Wuyang Zhao, and Sebastian Pfaller. "A particle‐continuum coupling method for amorphous polymers with multiple particle‐based domains." Proceedings in Applied Mathematics and Mechanics 22 (2023).

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