How to simulate radiation heat transfer in LAMPPS?

Dear All,

I am simulating an nano particle combustion system in which radiation heat transfer is really important.
In my system, there is a metal nano particle suspend in oxygen gas and I desire to add radiation heat between particle and gas molecules.
Radiative heat transfer equation is also simple: Qrad=εkBA(T1^4-T2^4) where ε and A are constant number related to properties of material itself. kB is Boltzmann constant.

However, in LAMMPS, there is no relevant commands deal with radiation heat transfer.

Now, I design a method as follow:
First, compute temperatures of the particle and oxygen gas respectively.
Then, according to the equation, compute Qrad through variable and compute commands.
Last, adjust new temperature in both particle and oxygen molecules by using fix temp/rescale command.
A question also rises in such method: how often should I renew temperatures by this method? every step?

Could this method reasonably describe radiation heat transfer? If so, what about the following question?
If not, what I can do to simulate such situation?

Any suggestion will be very appreciated.

Best regard,

Junpeng Liu

Dear All,

    I am simulating an nano particle combustion system in which radiation heat transfer is really important.
    In my system, there is a metal nano particle suspend in oxygen gas and I desire to add radiation heat between particle and gas molecules.

what kind of radiation? how would it be absorbed? what time scales and
length scales are this about?

axel.

Dear Axel
    Thanks for your attention! I want to add radiation heat flux between burning particles and ambient gas like equation Qrad=εkBA(T1^4-T2^4) shows. The particle diameter is 5nm and time step was set as 0.5fs.
    Can I adjust particle temperature by fix temp/rescale command every step to simulate such situation?
    Are there any other methods to simulate radiation heat transfer in LAMMPS?

Best regards

Junpeng Liu

how can you expect any help, if you are not answering any of my
questions but instead are just restating your inquiry?
sorry, but you will need to find somebody else on this list to help you.

axel.