Multiscale modeling of polymer-clay nanocomposites.

      Аннотация: This book presents a multiscale modeling framework combining computational chemistry and computational mechanics to study the stiffness, damage initiation and failure process of polymer-clay nanocomposites (PCNs). It demonstrates the feasibility of a virtual material characterization tool for PCNs, which could accelerate their development and application. It is useful for researchers in fields of solid mechanics and material science.

Ключевые слова: Finite Element Method, Molecular Dynamics, Polymer-clay nanocomposits, Multiscale Modeling