Correlations between mechanical, structural, and dynamical properties of polymer nanocomposites

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en Kutvonen, Aki Rossi, Giulia Ala-Nissilä, Tapio 2015-04-27T09:00:51Z 2015-04-27T09:00:51Z 2012
dc.identifier.citation Kutvonen, Aki & Rossi, Giulia & Ala-Nissilä, Tapio. 2012. Correlations between mechanical, structural, and dynamical properties of polymer nanocomposites. Physical Review E. Volume 85, Issue 4. P. 041803/1-6. ISSN 1539-3755 (printed). DOI: 10.1103/physreve.85.041803. en
dc.identifier.issn 1539-3755 (printed)
dc.description.abstract We study the structural and dynamical mechanisms of reinforcement of a polymer nanocomposite (PNC) via coarse-grained molecular dynamics simulations. In a regime of strong polymer-filler interactions, the stress at failure of the PNC is clearly correlated to structural quantities, such as the filler loading, the surface area of the polymer-filler interface, and the network structure. Additionally, we find that small fillers, of the size of the polymer monomers, are the most effective at reinforcing the matrix by surrounding the polymer chains and maximizing the number of strong polymer-filler interactions. Such a structural configuration is correlated to a dynamical feature, namely, the minimization of the relative mobility of the fillers with respect to the polymer matrix. en
dc.format.extent 041803/1-6
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society (APS) en
dc.relation.ispartofseries Physical Review E en
dc.relation.ispartofseries Volume 85, Issue 4
dc.rights © 2012 American Physical Society (APS). en
dc.subject.other Physics en
dc.title Correlations between mechanical, structural, and dynamical properties of polymer nanocomposites en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Physical Society (APS) Perustieteiden korkeakoulu fi School of Science en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.contributor.department Department of Applied Physics en
dc.subject.keyword polymer nanocomposites en
dc.subject.keyword PNC en
dc.subject.keyword polymers en
dc.subject.keyword polymer monomers en
dc.subject.keyword mechanical properties en
dc.subject.keyword diffusion en
dc.subject.keyword molecular dynamics simulations en
dc.identifier.urn URN:NBN:fi:aalto-201504272432
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physreve.85.041803
dc.type.version Final published version en

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