Re: [ESPResSo-users] Sistematically decreasing of Temperature with DPD thermostat

[Ulf Schiller]

On 01/14/2014 10:17 PM, Georg Rempfer wrote:
> Hello Salvador,
>
> you might be experiencing the flying ice cube phenomenon
> (http://en.wikipedia.org/wiki/Flying_ice_cube).
>
> I do not know the implementation of the DPD thermostat in Espresso very
> well though and may be wrong.

Hi,

The flying ice cube typically occurs with thermostats that rescale 
velocities (see Huenenberger 2005, Adv. Poly. Sci. 173, 105-149). 
Therefore it would not be my first guess for DPD which conserves momentum.

I suspect that the issue is related to the dimensionality of the system 
as the transport coefficients may depend on that. Maybe it's worth 
revisiting DPD in 2D.

Best wishes,
Ulf

--
Dr. Ulf D. Schiller                        Building 04.16, Room 3006
Institute of Complex Systems (ICS-2)       Phone:   +49 2461 61-6144
Forschungszentrum Jülich, Germany          Fax:     +49 2461 61-3180

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