Moving heat source problem

Hello everyone,

I’m currently trying to simulate a moving heat source.

I’ve applied the “fix laser_heating all langevin 100 300 400 654759” code along with the NVE ensemble.

Additionally, I’ve used the command “fix move_laser_region laser_region move linear 0.0 0.01 0.0 units box” to move the heat source along y-direction.

However, I’m encountering the following issues:

a) The temperature is unexpectedly rising beyond 600.

b) Even if I am lowering the thermostat temperature, it does not impact much on the overall temp

c) The heat source doesn’t seem to be moving.

I would greatly appreciate any help in identifying and resolving these problems. Thank you!

It would seem to me that applying your thermostat to all atoms is at odds with your desire to heat a specific region.

To paraphrase Sytemantics: Complex systems almost never work. And those that do are built from simple systems that work.

Have you successfully built a simulation where you have defined and heated a specific static region?

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I tried to define it to a specific region, but it does not really make any difference in terms of the system temp

It seems that you are trying to solve multiple issues here at once. What is the point of attempting to add a moving heat source if the entire system’s temperature is not under control?

I see that you are getting more traction in a different thread for the same problem. I would highly advise you to follow Dr. Kohlmeyer’s advice given in it.