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
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)
actually, nanotubes have high thermal conductivity due to their
rigidity, but along the axis.
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.
your description is too vague to give specific advice. it looks from
your description, that you are not considering time scales (and
possibly also length scales) well enough and that you are looking at a
slow process. if that is the case, there is no use to accelerating
this process with a thermostat. you will replace computer simulation
with computer animation and the scientific value of your results will
approach zero.
axel.