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[lammps-users] Region instead of group
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[lammps-users] Region instead of group


From: Zohreh Ahadi <zohreh.ahadi@...24...>
Date: Sun, 6 May 2018 14:56:26 +0430

Dear all lammps user

Thanks with your regarding , I have one question about the regions, It maybe considered easy but stop my project.
I simulated the nanotube which filled water, the two end of nanotube are considered cold groups and the center of nanotube is hot group by NVT at specific temperature.
I tested two strategy: Firstly , I considered the two end of nanotube with water, as cold group , after running  the  temp  result didn't match with the NVT temp which I set, and the cold group were very colder, and hot, was very hotter than I am set in NVT.
Secondly:  I considered the two end of nanotube, without water as one group...again the result temp was not match.( The nanotube has low thermal conductivity)

Question:I would like to Know, Is it possible instead of one group, (cold or hot) the region set as NVT?( untill water moleculars when come or exit from this region feel the NVT)

I am eager to know your advise for solving this problem.

sincerely yours,
Zohreh
PhD student nano physics