In my model, the solid surface(pt) is in contact with argon atoms and I am changing the temperature of solid surface from 160K to 100K (simulating a step function).
I need to output the temperature of argon atoms (which is only changing due to interaction with solid surface). I have copied the part of code that change the solid temp to 160.
my problem is that with my current code the vapor temperature changes from 170 K (the initial temperature) to 98! which doesn’t make sense since during all the time the solid surface temp is 160 K.
I haven’t used any fix for vapor since I am not going to control the vapor temp.I just want to see how its temperature is changing due to its interaction with the solid surface.
would you please advice regarding that.
Thank you for your time.
In my model, the solid surface(pt) is in contact with argon atoms and I am changing the temperature of solid surface from 160K to 100K (simulating a step function).
I need to output the temperature of argon atoms (which is only changing due to interaction with solid surface). I have copied the part of code that change the solid temp to 160.
my problem is that with my current code the vapor temperature changes from 170 K (the initial temperature) to 98! which doesn’t make sense since during all the time the solid surface temp is 160 K.
I haven’t used any fix for vapor since I am not going to control the vapor temp.I just want to see how its temperature is changing due to its interaction with the solid surface.
impossible to say anything with only the fragments of information you provide.
what do you do to equilibrate both phases?
Dear Axel,
Here is the code.
currently my problem is that changing the solid surface temperature doesn’t have any effect on the temperature of vapor(it just drops down from the initial temp of 170 k) no matter whether the solid temp is higher or lower.
so it seems that vapor doesn’t interact with vapor atoms in terms of transfer of energy (although i have defined the potential function between them).
would you please advice regarding that?
Assuming you have a compute for the temp of just
the vapor atoms and that you are printing it out correctly,
then thermostatting just the solid will not physically
affect the vapor very quickly. There isn't rapid
energy transfer between a solid and a dilute
vapor above it.
Dear Steve,
Thank you very much for your response.
Basically what happens with my current code is the temperature of vapor drops quickly from 170 K (the initial temp ) to 90K! (below the solid surface temp). below is the part of code which does this, in previous email there is a full code.
I checked my code with different temp of solid and it seems it doesn’t have any affect on vapor.the vapor temp just drops down from 170. if the temp of solid wouldn’t affect it quickly still I shouldn’t get this result.why the temp of vapor changes this much?
should I use any command to make lammps understand that these two phases should come into equilibrium?
would you please advice regarding that.
As Axel said earlier, with the info you have provided, I don't
have any other ideas. There are other things you could do
wrong in your script that might affect the termperature of some
set of atoms. I would start with as simple a script as possible
an monitor the temp, then add features and see what changes.