Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts
Systematic time-scale-bridging molecular dynamics applied to flowing polymer melts
We present a thermodynamically guided, low-noise, time-scale-bridging, and pertinently efficient strategy for the dynamic simulation of microscopic models for complex fluids. The systematic coarse-graining method is exemplified for low-molecular polymeric systems subjected to homogeneous flow fields. We use established concepts of nonequilibrium thermodynamics and an alternating Monte Carlo-molecular-dynamics iteration scheme …