An adhesive DPD wall model for dynamic wetting

Henrich, B.; Cupelli, Claudio; Moseler, Michael; Santer, Mark

doi:10.1209/0295-5075/80/60004

Cited by 35 publications

(30 citation statements)

References 27 publications

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“…The total force acting on particle i due to particle j consists of three terms: (i) conservative force ; (ii) dissipative force ; and (iii) a random force , given by, where , , , , and α ij is related to the conservative interaction between particles i and j as described in Henrich et al . In Equations and , parameters γ and σ determine the magnitude of the dissipative and random forces, respectively, whereas ω D and ω R are appropriate weight functions.…”

Section: Simulation Methodsmentioning

confidence: 99%

A dissipative particle dynamics study of flow in periodically grooved nanochannels

Kasiteropoulou

Karakasidis

Liakopoulos

2011

Numerical Methods in Fluids

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SUMMARYThe effect of periodic rectangular wall roughness on planar nanochannel flow is investigated by dissipative particle dynamics simulation. The wall protrusion length is varied, and its effect on the flow is examined. Analysis of particle trajectories and average residence time reveals temporary trapping of fluid particles inside the rectangular cavities for a considerable amount of time. This trapping affects the density, velocity, pressure, and temperature distribution inside and close to the cavities. Inside the cavities, low-velocity regions and regions of high density related to high pressure and high temperature are observed. When compared with that of the channel with flat walls case, lower flow velocities, temperatures, and pressures are observed for grooved channels. The reduction of the above quantities is more pronounced as the protrusion length, that is, the roughness characteristic length, decreases. Finally, the relation of friction factor, f , with the flow Reynolds number is discussed. The model predicts fRe D constant in the range 206 Re 6 100. The results of this work are of direct relevance to the design of nanofluidic devices.

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Section: Simulation Methodsmentioning

confidence: 99%

A dissipative particle dynamics study of flow in periodically grooved nanochannels

Kasiteropoulou

Karakasidis

Liakopoulos

2011

Numerical Methods in Fluids

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“…The elastic interaction between the particles of the wire or ingot and those of the SiC grains is defined by equation (2.6). At the interfaces between the wire or ingot, respectively, and the PEG fluid no-slip boundary conditions are ensured by using an adhesive DPD wall model [13]. No fracture mechanism is included in the model.…”

Section: (C) Modelling Of Wire and Ingotmentioning

confidence: 99%

Modelling of contact regimes in wire sawing with dissipative particle dynamics

Bierwisch

Kübler

Kleer

et al. 2011

Phil. Trans. R. Soc. A.

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Optimization of the wire sawing process of silicon ingots requires a profound understanding of the dynamic interaction of wire, slurry and silicon material. In this paper, the influence of wire velocity and applied wire stress on the process is investigated using dissipative particle dynamics and discrete element simulations for modelling the fluid and the grains in the abrasive suspension. In our simulations, different contact regimes occur depending on grain shape and a stress balance within the system. We observed semi-contact for high wire stress and low wire velocity and non-contact for low stress and high velocities in agreement with predictions from elasto-hydrodynamic modelling. Our simulations suggest the usage of sharp grains, since in this case, stress localization on the base of the sawing groove occurs even in the non-contact regime. These insights are likely to provide a scientific base for the optimization of sawing rates and reduction of kerf loss.

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“…Finally, we note that adhesive, solid boundaries for studying wetting phenomena in the framework of MDPD were developed in Ref. 82. Another modification of the DPD method that uses a combination of short-range repulsive and long-range attractive forces to simulate liquid and liquid-gas systems was presented by Liu et al 11,83,84 In this model, the interaction potential is a combination of smoothed particle hydrodynamics weight functions with different interaction strengths and ranges.…”

Section: Dpd For Two-phase Flowsmentioning

confidence: 99%

Dissipative Particle Dynamics

Pivkin

Caswell

Karniadakisa

2010

Reviews in Computational Chemistry

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Dissipative Particle Dynamics (DPD) is a mesoscopic simulation method, potentially very effective in simulating mesoscale hydrodynamics and soft matter. This thesis addresses open theoretical and algorithmic questions of DPD and demonstrates the new developments with applications to blood flow in health as well as in sickle cell anemia. The first part investigates the intrinsic relation of DPD to the microscopic Molecular Dynamics (MD) method through the Mori-Zwanzig theory. We provide a physical explanation for the dissipative and random forces by constructing a mesoscopic system directly from a microscopic one. The relationship between DPD and MD is quantified and the many-body effect on the hydrodynamics of the coarsegrained system is discussed. We then address algorithmic issues and develop a simple approach for imposing proper no-slip boundary conditions for wall-bounded fluid systems and outflow boundary conditions for open fluid systems. The second part deals with blood flow applications. First, we use DPD and multi-scale red blood cell models to investigate the transition of blood flow from Newtonian to non-Newtonian behavior as the arteriole size decreases. Then, we develop a multi-scale model for the sickle red blood cells (RBCs), accounting for diversity in shapes and polymerization of hemoglobin. Subsequently, we use this model to investigate abnormal rheology and hemodynamics of the sickle blood flow under different physiological conditions.Despite the increased flow resistance, no occlusion was observed in a straight tube under any conditions unless an adhesive dynamics model was explicitly incorporated into our simulations. This new adhesion model includes both sickle RBCs as well as leukocytes. The former interact with the vascular endothelium, with the deformable sickle cells (SS2) exhibiting larger adhesion. The adherent SS2 cells further trap rigid irreversible sickle cells (SS4) resulting in vaso-occlusion in vessels less than 15µm. Under inflammation, adherent leukocytes may also trap SS4 cells resulting in vaso-occlusion in even larger vessels.

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An adhesive DPD wall model for dynamic wetting

Cited by 35 publications

References 27 publications

A dissipative particle dynamics study of flow in periodically grooved nanochannels

A dissipative particle dynamics study of flow in periodically grooved nanochannels

Modelling of contact regimes in wire sawing with dissipative particle dynamics

Dissipative Particle Dynamics

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