Please use this identifier to cite or link to this item: http://hdl.handle.net/1822/31963

TitlePredicting the mechanical behavior of amorphous polymeric materials under strain through multi-scale simulation
Author(s)Araújo, M. Carvalho
Martins, J. P.
Mirkhalaf, Mohsen
Lanceros-Méndez, S.
Pires, Francisco
Simões, Ricardo
KeywordsAmorphous polymers
Multiscale modeling
Computer simulation
Molecular dynamics
Finite-element method
Issue dateJul-2014
PublisherElsevier
JournalApplied Surface Science
CitationAraújo, M. C., Martins, J. P., Mirkhalaf, S. M., Lanceros-Mendez, S., Pires, F. M., & Simoes, R. (2014). Predicting the mechanical behavior of amorphous polymeric materials under strain through multi-scale simulation. Applied Surface Science, 306, 37-46.
Abstract(s)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.
TypeArticle
URIhttp://hdl.handle.net/1822/31963
DOI10.1016/j.apsusc.2014.03.072
ISSN0169-4332
Publisher versionhttp://www.sciencedirect.com/science/article/pii/S016943321400600X
Peer-Reviewedyes
AccessRestricted access (UMinho)
Appears in Collections:CDF - FCD - Artigos/Papers (with refereeing)

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