Hi, Dr. Axel Kohlmeyer,
Thanks a lot for your suggestion!
I tried that: comput the subset region of temp and output it in thermo_style, I found the temperature is right of 83.3K. Besides, the temp of the whole region is different from the subset region if i only thermostat the subset region.
But my the other question is how to thermostat the wall and flow in between while keep the wall stationary?
it seems the “fix setforce 0 0 0” and “fix nve/noforce” can be only used for stationary wall. But what are the differences between them? How to thermostating the stationary wall?
Thanks!
Bests,
Yanfei
Hi, Dr. Axel Kohlmeyer,
Thanks a lot for your suggestion!
I tried that: comput the subset region of temp and output it in
thermo_style, I found the temperature is right of 83.3K.
if you only time integrate and manipulate the temperature of
a group of atoms, then only that subset has the desired
temperature. what is so surprising about that? why did
you expect the entire system to be at that temperature?
that just doesn't make any sense.
Besides, the
temp of the whole region is different from the subset region if i only
thermostat the subset region.
and??
But my the other question is how to thermostat the wall and flow in
between while keep the wall stationary?
how about you think about this for a little bit?
what would be needed to have atoms vibrate
around their lattice positions and not move
as a total. there are multiple options to realize this.
if you keep just asking questions without thinking,
you'll quickly wear out people that will stop
to answer your questions, when you have to
deal with really tricky questions. remember
nobody gets paid here to answer questions,
so demonstrating that you are learning and
making an effort is important to make people
feel they are not wasting their time with you.
it seems the "fix setforce 0 0 0" and "fix nve/noforce" can be only used
for stationary wall. But what are the differences between them?
it is documented, please *read* the documentation.
and if you did, then read it again.
How to
thermostating the stationary wall?
here is another tip:
have you looked through the mailing
list archives for previous discussions
on a subject like this?
axel.