Multiscale modeling and simulation of polymer nanocomposites

Strategies for the assessment of nanocomposite mechanical properties

“…A comprehensive review of multiscale strategies for polymer nanocomposites has recently been presented by Zeng et al [34]. As the length-scales involved in our multi-scale problem appear to be well separated, we have adopted a sequential ("parameter passing") hierarchical approach, in which structural information is averaged as we step up through the hierarchy of models (Figure 2).…”

“…In order to provide a more realistic description, atomistic modelling techniques (such as Monte Carlo or Molecular Dynamics, as discussed in [34]) can be used to provide important information regarding the polymer/platelet interface (e.g. degree of adhesion, slip etc).…”

Rheology of Polymers with Nanofillers

“…The computing time was also reduced. The multiscale modeling of PNC properties is a popular and useful approach discussed in many reviews (see, e.g., [Zeng et al, 2008]). Pryamitsyn and Ganesan [2006] reviewed and suggested new uses for the coarsegrained, momentum-conserving dissipative particle dynamic (DPD) method.…”

Morphological Modeling of Cold Spray Coatings

“…In this case, an alternative is to rely on stochastic models to describe and simulate microstructures. Computational tools and models brought by mathematical morphology (Serra, 1982;Soille, 2003) allow to generate and simulate complex microstructures on which one can perform physical simulations (Zeng et al, 2008). This method can cope very well with multiscale and multiphased random sets (Jeulin, 2012), as demonstrated by recent studies investigating the effects of rigid fillers into soft matrix such as black carbon particles embedded into a polymer matrix (Jean et al, 2011;Figliuzzi et al, 2016) or shells of argan nut in polypropylene (El Moumen et al, 2014).…”