Title: Molecular Dynamics Simulations of the Network Strand Dynamics and Nanoparticle Diffusion in Elastomers
Abstract: Nanoparticle (NP)-filled elastomers have gained much attention over the years owing to their wide variety of applications. A thorough understanding of the dynamics of the polymer and particles in these materials, as well as the coupling between them, is of great importance for designing new materials with targeted properties. In this chapter, we present some of our recent molecular dynamic simulations on the structures and dynamics of elastomer networks as well as the diffusion of NPs in elastomers. Two different classes of networks, i.e., the randomly cross-linked networks and the end-linked networks, are created, and their structural and dynamical properties are studied, considering the influences of various system parameters. For NPs in elastomers, we are concerned about how their diffusion is affected by the particle size, shape, surface grafting, the polymer molecular weight and architecture, the network strand length, junction functionality, and the interaction between strands and particles.
Publication Year: 2023
Publication Date: 2023-12-08
Language: en
Type: other
Indexed In: ['crossref']
Access and Citation
AI Researcher Chatbot
Get quick answers to your questions about the article from our AI researcher chatbot