Playing around and trying to learn some kinetic Monte Carlo. I'm interested in nonisothermal problems in which chemical reactions, phase transitions, latent heat, etc., are all relevant. As a result, I've been following the paper "Kinetic Monte Carlo modeling of chemical reactions coupled with heat transfer" (DOI: 10.1063/1.2877443). All examples are written in julia.
The pure heat transfer problems outlined in section III.A are implemented in heat-transfer.jl.
The next example involve the heated desorption of a lattice gas (section IV).
The model is implemented in gas-desorption.jl.
When the enthalpy change is neglected (command line argument --dT), the simulation appears to agree with Fig 4.
To see other arguments, run
julia gas-desorption.jl --help
ParallelStencil.jl is a julia package which can be used for highly efficient, parallel simulation of heat transfer.
I have used it in heat-transfer-parallel-stencil.jl and gas-desorption-ps.jl.
Both simulations appear to be orders of magnitude faster than their analogs.