Effect of the angular potential on the temperature control in dissipative particle dynamics simulations

Abstract

Angular potentials in dissipative particle dynamics (DPD) simulation can describe the rigidity of rod segments in the rod–coil block copolymers and cause system instability monitored by the kinetic temperature. We studied the influence of the bending constant of angular potentials on the temperature control of the DPD simulation system by our defined two parameters, deviation temperature δ _T and standard deviation SD _T . Small bending constants have no obvious influence on the temperature control. For the large bending constants, a relation of δ _T  = aϕ ^b Δt ^c is constructed. Based on this relation, we can give the appropriate parameters to balance the requirement of the temperature control and the rigid formation of rod-like blocks correctly.

Keywords:

• rod–coil
• angular potential
• temperature control
• DPD

Acknowledgements

We appreciate very much the financial support from the Foundation of CAEP (Nos 2011A030214 and 2010A03002) and National Nature Sciences Foundation of China (Nos 10832003, 51173173 and 21173199). Authors are also grateful to editors and reviewers for their effective work.