Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches
dc.contributor.author | DAVYDOV, Denis |
dc.contributor.author | VOYIATZIS, Evangelos |
dc.contributor.author
hal.structure.identifier | CHATZIGEORGIOU, George
|
dc.contributor.author | LIU, Shengyuan |
dc.contributor.author | STEINMANN, Paul |
dc.contributor.author | BOHM, Michael C. |
dc.contributor.author | MULLER-PLATHE, Florian |
dc.date.accessioned | 2015 |
dc.date.available | 2015 |
dc.date.issued | 2014 |
dc.date.submitted | 2015 |
dc.identifier.issn | 1539-445X |
dc.identifier.uri | http://hdl.handle.net/10985/10051 |
dc.description.abstract | Size effects in a system composed of a polymer matrix with a single silica nanoparticle are studied using molecular dynamics and surface-enhanced continuum approaches. The dependence of the composite’s mechanical properties on the nanoparticle’s radius was examined. Mean values of the elastic moduli obtained using molecular dynamics were found to be lower than those of the polystyrene matrix alone. The surface-enhanced continuum theory produced a satisfactory fit of macroscopic stresses developing during relaxation due to the interface tension and uniaxial deformation. Neither analytical nor finite-element solutions correlated well with the size-effect in elastic moduli predicted by the molecular dynamics simulations. |
dc.description.sponsorship | German Science Foundation within the priority program 1369 “Polymer-solid contacts: Interphases and interfaces”, ERC Advanced Grant MOCOPOLY. |
dc.language.iso | en |
dc.publisher | Taylor & Francis |
dc.rights | Post-print |
dc.subject | Molecular dynamics |
dc.subject | Nanocomposite |
dc.subject | Size effect |
dc.subject | Surface energy |
dc.subject | Surface-enhanced continuum |
dc.title | Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches |
dc.identifier.doi | 10.1080/1539445X.2014.959597 |
dc.typdoc | Article dans une revue avec comité de lecture |
dc.localisation | Centre de Metz |
dc.subject.hal | Sciences de l'ingénieur: Matériaux |
dc.subject.hal | Sciences de l'ingénieur: Mécanique |
dc.subject.hal | Sciences de l'ingénieur: Mécanique: Mécanique des matériaux |
dc.subject.hal | Sciences de l'ingénieur: Mécanique: Mécanique des solides |
ensam.audience | Internationale |
ensam.page | S142-S151 |
ensam.journal | Soft Materials |
ensam.volume | 12 |
ensam.issue | Supplement 1 |
hal.identifier | hal-01201924 |
hal.version | 1 |
hal.status | accept |
dc.identifier.eissn | 1539-4468 |