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Re: [ESPResSo-users] Sistematically decreasing of Temperature with DPD t
Re: [ESPResSo-users] Sistematically decreasing of Temperature with DPD thermostat
Wed, 15 Jan 2014 08:06:07 +0100
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On 01/14/2014 10:17 PM, Georg Rempfer wrote:
you might be experiencing the flying ice cube phenomenon
I do not know the implementation of the DPD thermostat in Espresso very
well though and may be wrong.
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.
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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