Predicting the mechanical behavior of amorphous polymeric materials under strain through multi-scale simulation

• Type: Article in International Scientific Journal
• Date: 2014

Authors

Carvalho Araujo, MC (Author) Other; Martins, JP (Author) Other; Mirkhalaf, SM (Author) Other; Lanceros Mendez, S (Author) Other; F.M. Andrade Pires (Author) FEUP; Simoes, R (Author) Other

Journal

Title: Applied Surface Science

Vol. 306

Pages: 37-46

ISSN: 0169-4332

Publisher: Elsevier

Indexing

ISI Web of Knowledge - 4 Citations

Scopus - 8 Citations

Other information

Authenticus ID: P-009-DQR

DOI: 10.1016/j.apsusc.2014.03.072

Abstract (EN): Polymeric materials have become the reference material for high reliability and performance applications. However, their performance in service conditions is difficult to predict, due in large part to their inherent complex morphology, which leads to non-linear and anisotropic behavior, highly dependent on the thermomechanical environment under which it is processed. In this work, a multiscale approach is proposed to investigate the mechanical properties of polymeric-based material under strain. To achieve a better understanding of phenomena occurring at the smaller scales, the coupling of a finite element method (FEM) and molecular dynamics (MD) modeling, in an iterative procedure, was employed, enabling the prediction of the macroscopic constitutive response. As the mechanical response can be related to the local microstructure, which in turn depends on the nano-scale structure, this multiscale approach computes the stress-strain relationship at every analysis point of the macro-structure by detailed modeling of the underlying micro- and meso-scale deformation phenomena. The proposed multiscale approach can enable prediction of properties at the macroscale while taking into consideration phenomena that occur at the mesoscale, thus offering an increased potential accuracy compared to traditional methods.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 10