Hierarchical simulations of hybrid polymer-solid materials

作者：Johnston Karen; Harmandaris Vagelis^*

来源：Soft Matter, 2013, 9(29): 6696-6710.

DOI：10.1039/c3sm50330e

Complex polymer-solid materials have gained a lot of attention during the last 2-3 decades due to the fundamental physical problems and the broad spectrum of technological applications in which they are involved. Therefore, significant progress concerning the simulations of such hybrid soft-hard nanostructured systems has been made in the last few years. Simulation techniques vary from quantum to microscopic (atomistic) up to mesoscopic (coarse-grained) level. Here we give a short overview of simulation approaches on model polymer-solid interfacial systems for all different levels of description. In addition, we also present a brief outlook concerning the open questions in this field, from the point of view of both physical problems and computational methodologies.

• 出版日期2013