Can LIGGGHTS be an alternative way for DPD and SRD in simulation of colloids dynamics?

Submitted by ali_reza on Wed, 07/03/2013 - 13:43

Hello everybody
I am beginner with the LIGGGHTS and have a fundamental question.
What are the limitations to use LIGGGTHS for simulation of nano-particles in aqueous media? Is this software restricted only for granular microscopic particles or even applicable for simulation of mesoscopic colloids? For example, can it be an alternative for DPD (Dissipative particle dynamics) or SRD (Stochastic rotation dynamics) methods in simulating colloids sedimentation or aggregation?
Regards

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ckloss's picture

ckloss | Fri, 07/12/2013 - 14:10

Yes, where is DPD and SRD models, but these are exactly the models in LAMMPS.
In case you wanna use these models without the need of the advanced granular functionality of LIGGGHTS, I'd rather use LAMMPS

Christoph

ali_reza | Fri, 07/12/2013 - 16:29

Thanks for your reply Christoph
As you know, DPD and SRD methods are coarse grain methods in LAMMPS and the solvent molecules participate in these simulation; but I thought that thanks to the coupling between OpenFOAM and LAMMPS in the LIGGGHTS, the solvent medium might be considered as a continuum medium and the hydrodynamic forces between the mesoscale particles might be attained through a CFD simulation in OpenFOAM to be added to the other forces between particles in LAMMPS.
Of course, assuming applicability of DEM (or LIGGGHTS) for simulation of even colloids with diameters lower than 1 micron, the main question remains for me is that applying such method, how much the computation efficiency would be increased? because considering low diameter of the particles, the mesh size of the CFD simulation should be decreased enough to obtain the pressure distribution on the colloid particles and hydrodynamic forces.
I am eager to know your respected opinion.
Regards