Shaghayegh Khani: Dissipative Particle Dynamics simulations of Janus rods at polymer interfaces

Taking advantage of shape and chemical anisotropy, Janus rods show rich self-assembly behavior at polymer interfaces. In this study, Dissipative Particle Dynamics simulations have been performed to investigate polymer interface mediated assembly of these nanoparticles. In a phase separating polymer blend, the interplay between aggregation mechanism and phase separation dictates the morphology of the material which can be traced back to the interfacial configuration of individual Janus rods and their diffusion. Additionally, Janus rods with “standing” configurations can be organized in metastable novel structures upon application of shear flow. Formation of these novel structures depends on several factors that can be precisely tuned (e.g. Flory-Huggins χ-parameter between the polymer phases, concentration of Janus particles, shear rate and aggregate shape). Moreover, contribution of Janus particles to momentum transfer across the interface has been extensively studied in order to understand the potential of these new materials in blend compatibilization. The findings of this study will be essential to a broad range of applications that involve multiphase flow and will pave the way for design and fabrication of novel Janus-based materials.