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A new boundary treatment algorithm for dissipative particle dynamics

Liu Mou-Bin Chang Jian-Zhong

A new boundary treatment algorithm for dissipative particle dynamics

Liu Mou-Bin, Chang Jian-Zhong
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  • Dissipative particle dynamics (DPD) is a meso-scale, Lagrangian particle method, and has been successfully applied to different areas including micro- and nano-fluidics, bio- and chemical technologies. The treatment of solid matrix and the implementation of solid boundary conditions have been an important task for the development and application of the DPD method. This paper presents a new method of treating complex solid boundary. Solid grains in complex flow geometry can be represented by freezing randomly distributed DPD particles which have reached an equilibrium state. To increase computational efficiency, only the boundary DPD particles within one cut-off distance from the flow region are frozen. A thin layer in the flow region next to the solid boundary is used to bounce mobile DPD particles in this layer back to the flow region. The DPD method and this new boundary treatment algorithm are used to model the Poiseuille flow and a flow problem in a complex porous media. It is demonstrated that this new boundary treatment algorithm can effectively model complex solid matrix and correctly implement non-slip boundary condition.
    • Funds:
    [1]

    Rapaport D C 2004 The art of molecular dynamics simulation (Cambridge, UK: Cambridge University Press) P11

    [2]

    Chen S, Doolen G D 1998 Annu. Rev. Fluid Mech. 30 329

    [3]

    Oran E S, Oh C K, Cybyk B Z 1998 Annual Review of Fluid Mechanics 30 403

    [4]

    Gingold R A, Monaghan J J 1977 Mon. Not. R. Astron. Soc. 181 375

    [5]

    Liu M B, Chang J Z 2010 Acta Phys. Sin. 59 3654 (in Chinese) [刘谋斌、常建忠 2010 物理学报 59 3654]

    [6]

    Hoogerbrugge P J, Koelman J 1992 Europhys. Lett. 19 155

    [7]

    Groot R D, Warren P B 1997 J. Chem. Phys. 107 4423

    [8]

    Chen S, Zhao J, Fan X J, Wang D 2006 Bull. Sci. Tech. 22 596 (in Chinese) [陈 硕、赵 钧、范西俊、王 丹 2006 科技通报 22 596]

    [9]

    Fan X, Phan-Thien N, Yong N T, Wu X, Xu D 2003 Phys. Fluids 15 DOI: 10.1063/1.1522750

    [10]

    Groot R D 2003 J. Chem. Phys. 118 11265

    [11]

    Groot R D 2000 Langmuir 16 7493

    [12]

    Dzwinel W, Yuen D A, Boryczko K 2002 J. Mol. Model. 8 33

    [13]

    Tanaka H, Araki T 2000 Phys. Rev. Lett. 85 1338

    [14]

    Schlijper A G, Hoogerbrugge P J, Manke C W 1995 J. Rheol. 39 567

    [15]

    Venturoli M, Smit B 1999 PhysChemComm 2 45

    [16]

    Liu M B, Meakin P, Huang H 2006 Phys. Fluids 18 017101

    [17]

    Liu M B, Meakin P, Huang H 2007 Water Resour. Res. 43 w04411

    [18]

    Liu M B, Meakin P, Huang H 2007 J. Comput. Phys. 222 110

    [19]

    Chang J Z, Liu M B, Liu H T 2008 Acta Phys. Sin. 57 3954 (in Chinese) [常建忠、刘谋斌、刘汉涛 2008 物理学报 57 3954]

    [20]

    Zhang A M, Yao X L 2008 Acta Phys. Sin. 57 1662 (in Chinese) [张阿漫、姚熊亮 2008 物理学报 57 1662]

    [21]

    Liu H T, Tong Z H, An K, Ma L Q 2009 Acta Phys. Sin. 58 6569 (in Chinese) [刘汉涛、仝志辉、安 康、马理强 2009 物理学报 58 6369]

    [22]

    Zhang A M 2008 Chin. Phys. B 17 927

    [23]

    Sun Z H, Han R J 2008 Chin. Phys. B 17 3185

    [24]

    Revenga M, Zuniga I, Espanol P 1998 Int. J. Mod. Phys. C 9 1319

    [25]

    Revenga M, Zuniga I, Espanol P 1999 Comput. Phys. Commun. 121 309

    [26]

    Wang L, Ge W, Li J 2006 Comput. Phys. Commun. 174 386

    [27]

    Willemsen S M, Hoefsloot H C J, Iedema P D 2000 Int. J. Mod. Phys. C 11 881

    [28]

    Duong-Hong D, Phan-Thien N, Fan X 2004 Comput. Mech. 35 24

    [29]

    Espanol P, Warren P 1995 Europhys. Lett. 30 191

    [30]

    Liu G R, Liu M B 2003 Smoothed particle hydrodynamics: A meshfree particle method (Singapore: World Scientific) P150

  • [1]

    Rapaport D C 2004 The art of molecular dynamics simulation (Cambridge, UK: Cambridge University Press) P11

    [2]

    Chen S, Doolen G D 1998 Annu. Rev. Fluid Mech. 30 329

    [3]

    Oran E S, Oh C K, Cybyk B Z 1998 Annual Review of Fluid Mechanics 30 403

    [4]

    Gingold R A, Monaghan J J 1977 Mon. Not. R. Astron. Soc. 181 375

    [5]

    Liu M B, Chang J Z 2010 Acta Phys. Sin. 59 3654 (in Chinese) [刘谋斌、常建忠 2010 物理学报 59 3654]

    [6]

    Hoogerbrugge P J, Koelman J 1992 Europhys. Lett. 19 155

    [7]

    Groot R D, Warren P B 1997 J. Chem. Phys. 107 4423

    [8]

    Chen S, Zhao J, Fan X J, Wang D 2006 Bull. Sci. Tech. 22 596 (in Chinese) [陈 硕、赵 钧、范西俊、王 丹 2006 科技通报 22 596]

    [9]

    Fan X, Phan-Thien N, Yong N T, Wu X, Xu D 2003 Phys. Fluids 15 DOI: 10.1063/1.1522750

    [10]

    Groot R D 2003 J. Chem. Phys. 118 11265

    [11]

    Groot R D 2000 Langmuir 16 7493

    [12]

    Dzwinel W, Yuen D A, Boryczko K 2002 J. Mol. Model. 8 33

    [13]

    Tanaka H, Araki T 2000 Phys. Rev. Lett. 85 1338

    [14]

    Schlijper A G, Hoogerbrugge P J, Manke C W 1995 J. Rheol. 39 567

    [15]

    Venturoli M, Smit B 1999 PhysChemComm 2 45

    [16]

    Liu M B, Meakin P, Huang H 2006 Phys. Fluids 18 017101

    [17]

    Liu M B, Meakin P, Huang H 2007 Water Resour. Res. 43 w04411

    [18]

    Liu M B, Meakin P, Huang H 2007 J. Comput. Phys. 222 110

    [19]

    Chang J Z, Liu M B, Liu H T 2008 Acta Phys. Sin. 57 3954 (in Chinese) [常建忠、刘谋斌、刘汉涛 2008 物理学报 57 3954]

    [20]

    Zhang A M, Yao X L 2008 Acta Phys. Sin. 57 1662 (in Chinese) [张阿漫、姚熊亮 2008 物理学报 57 1662]

    [21]

    Liu H T, Tong Z H, An K, Ma L Q 2009 Acta Phys. Sin. 58 6569 (in Chinese) [刘汉涛、仝志辉、安 康、马理强 2009 物理学报 58 6369]

    [22]

    Zhang A M 2008 Chin. Phys. B 17 927

    [23]

    Sun Z H, Han R J 2008 Chin. Phys. B 17 3185

    [24]

    Revenga M, Zuniga I, Espanol P 1998 Int. J. Mod. Phys. C 9 1319

    [25]

    Revenga M, Zuniga I, Espanol P 1999 Comput. Phys. Commun. 121 309

    [26]

    Wang L, Ge W, Li J 2006 Comput. Phys. Commun. 174 386

    [27]

    Willemsen S M, Hoefsloot H C J, Iedema P D 2000 Int. J. Mod. Phys. C 11 881

    [28]

    Duong-Hong D, Phan-Thien N, Fan X 2004 Comput. Mech. 35 24

    [29]

    Espanol P, Warren P 1995 Europhys. Lett. 30 191

    [30]

    Liu G R, Liu M B 2003 Smoothed particle hydrodynamics: A meshfree particle method (Singapore: World Scientific) P150

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    [7] Lin Chen-Sen, Chen Shuo, Li Qi-Liang, Yang Zhi-Gang. Accelerating dissipative particle dynamics with graphic processing unit. Acta Physica Sinica, 2014, 63(10): 104702. doi: 10.7498/aps.63.104702
    [8] Xu Shao-Feng, Wang Jiu-Gen. Dissipative particle dynamics simulation of macromolecular solutions under Poiseuille flow in microchannels . Acta Physica Sinica, 2013, 62(12): 124701. doi: 10.7498/aps.62.124701
    [9] Han Yi-ping, Wu Zhen-sen. Discussion of the Boundary Condition For Electromagnetic Scattering b y Spheroidal Particles. Acta Physica Sinica, 2000, 49(1): 57-60. doi: 10.7498/aps.49.57
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Publishing process
  • Received Date:  06 January 2010
  • Accepted Date:  02 March 2010
  • Published Online:  15 November 2010

A new boundary treatment algorithm for dissipative particle dynamics

  • 1. (1)Key Laboratory for Hydrodynamics and Ocean Engineering, of Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190, China;The State Key Laboratory for Nonlinear Mechanics, of Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190,; (2)School of Mechatronic Engineering, North University of China, Taiyuan 030051, China

Abstract: Dissipative particle dynamics (DPD) is a meso-scale, Lagrangian particle method, and has been successfully applied to different areas including micro- and nano-fluidics, bio- and chemical technologies. The treatment of solid matrix and the implementation of solid boundary conditions have been an important task for the development and application of the DPD method. This paper presents a new method of treating complex solid boundary. Solid grains in complex flow geometry can be represented by freezing randomly distributed DPD particles which have reached an equilibrium state. To increase computational efficiency, only the boundary DPD particles within one cut-off distance from the flow region are frozen. A thin layer in the flow region next to the solid boundary is used to bounce mobile DPD particles in this layer back to the flow region. The DPD method and this new boundary treatment algorithm are used to model the Poiseuille flow and a flow problem in a complex porous media. It is demonstrated that this new boundary treatment algorithm can effectively model complex solid matrix and correctly implement non-slip boundary condition.

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