Comparative Study of the Water Response to External Force at Nanoscale and Mesoscale

HT Liu and Z Chen and S Jiang and Y Gan and MB Liu and JZ Chang and ZH Tong, CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES, 95, 273-285 (2013).

Dissipative particle dynamics (DPD) and molecular dynamics (MD) are both Lagrangian particle-based methods with similar equations except that the DPD specification for the force definition on the particles is the result of coarsegraining, and these two methods usually get the similar results in some specific cases. However, there are still some unknown differences between them. Considering the water response to external force, a comparative study of DPD and MD is conducted in this paper, which provides a better understanding on their relation, and a potential way to effectively bridge nanoscale and mesoscale simulation procedures. It is shown that there is a scale effect on the water response to external force between MD and DPD, and that the size effect exists only in MD simulations.

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