Open Access

ARTICLE

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

by H.T. Liu¹, Z. Chen², S. Jiang², Y. Gan³, M.B. Liu⁴, Z.H. Tong¹

1 Laboratory of Energy & Environment and Computational Fluid Dynamics, North University of China, Taiyuan 030051, China. Email: lht@nuc.edu.cn
2 Department of Civil & Environmental Engineering, University of Missouri, Columbia, MO 65211, USA; Department of Engineering Mechanics, Dalian University of Technology, Dalian 116024, China. Email: chenzh@missouri.edu
3 School of Aeronautics and Astronautics, Zhejiang University, Hangzhou, Zhejiang 310027, China.
4 Chinese Academy of Sciences, Beijing 100190, China.

Computer Modeling in Engineering & Sciences 2013, 95(4), 303-315. https://doi.org/10.3970/cmes.2013.095.303

Abstract

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.

---

Keywords

---