Andersen barostat

In the present study, a modified Andersen barostat is proposed and tested to achieve the tensionless state. The implementation of the Andersen barostat (Anderson 1980) within the framewoik of a DPD simulation has been recently demonstrated for bulk fluids (Trofimov et al. 2005). The Andersen barostat is an extended system in which one solves additional equations for the volume fluctuations. Standard equations for volume fluctuations are... 

The MD simulations can be perfomed in maity different ensembles, such as grand canonical (pVT), microcanonical (NVE), canonical (NVT) and isothermal-isobaric (NPT). The constant temperature and pressure can be controlled by adding an appropriate thermostat (e g., Berendsen, Nose, Nose-Hoover, and Nose-Poincare) and barostat (e.g., Andersen, Hoover, and Berendsen), respectively. Applying MD into polymer composites allows us to investigate into the effects of fillers on polymer stracture and dynamics in the vicinity of polymer-filler interfaee and also to probe the effects of polymer-filler interactions on the materials properties. 

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