Challenges in Multiscale Modeling of Polymer Dynamics

摘要: The mechanical and physical properties of polymeric materials originate from the interplay phenomena at different spatial temporal scales. As such, it is necessary to adopt multiscale techniques when modeling in order account for all important mechanisms. Over past two decades, a number computational have been developed that can be divided into three categories: (i) coarse-graining methods generic polymers; (ii) systematic (iii) multiple-scale-bridging methods. In this work, we discuss compare eleven falling under these categories assess them critically according their ability provide rigorous link between polymer chemistry rheological material properties. For each technique, fundamental ideas equations are introduced, most results or predictions shown discussed. On one hand, review provides comprehensive tutorial on techniques, which will interest readers newly entering field; other, presents critical discussion future opportunities key challenges how help us optimize design new materials.