how to set the temperature to each particle

kunzhang's picture
Submitted by kunzhang on Fri, 07/18/2014 - 00:03

Hi All,

I would like to set the different temperatures to different particles, such as 10C, 20C, 30C, 40C ...100C to particle 1, 2, 3, ...and 10. I have read the commend of "set", it looks the ID could be atom ID range, type range, mol ID range, group ID or region ID, but it can not assign the value to each particles. I am wandering if the the commend "read data" could be used to complement this problems.

The true case for this problem is that Firstly the particles are heated by the heat convection from fluid, then these heated particles are used to heat another batch of particles through heat conduction. So I would like to export the temperature information of particles at the end of first step and use it as the initial condition for the second step.

Any suggestions and ideas would be greatly appreciated.

Thanks!

Kun

ckloss's picture

ckloss | Sat, 07/26/2014 - 20:20

Hi,

currently the read data command can not be used to initialize temperature. But you can define group(s) of particles (e.g. based on geometric or other criteria, see doc of "group" command for details) and use them for the "set" command

You could also use the restart functionality to use temperatures of past steps to impose it on more particles

Cheers
Christoph