Theoretical reconstruction of realistic dynamics of highly coarse-grained<i>cis</i>-1,4-polybutadiene melts
Theoretical reconstruction of realistic dynamics of highly coarse-grained<i>cis</i>-1,4-polybutadiene melts
The theory to reconstruct the atomistic-level chain diffusion from the accelerated dynamics that is measured in mesoscale simulations of the coarse-grained system, is applied here to the dynamics of cis-1,4-polybutadiene melts where each chain is described as a soft interacting colloidal particle. The rescaling formalism accounts for the corrections in …