Molecular dynamics studies of the structure and properties of polymer nano-particles

摘要

Recently, we have developed an experimental technique for the production of monodisperse polymer particles with arbitrary size and composition. In order to examine the behavior and properties of polymer particles in the micron and submicron size, computational simulations were employed. A molecular dynamics based method for the generation and analysis of polymeric nano-particles is described in this article. This technique is used to study the dynamics as well as the behavior and the structural, thermal, and mechanical properties of nano-meter scale polymer particles.