Hello, I plan to use the dual-temperature model and laser ablation to remove two layers of materials. I noticed the “fix atc” command. In the case provided on the official website, Ar_ttm.mat defines two types of materials. Can I directly use one input file to define both types of materials? And how can I distinguish between the two types of materials in the input file?
material Ar real
heat_capacity constant
capacity 0.000000063363
end
electron_heat_capacity constant
capacity 0.000000063363
end
heat_flux linear
conductivity 0.0000000030111
end
electron_heat_flux linear
conductivity 0.0000000030111
end
electron_phonon_exchange linear
coefficient 0.00000000001
end
end
material Null real
heat_capacity constant
capacity 1.0
end
electron_heat_capacity constant
capacity 1.0
end
heat_flux linear
conductivity 0.0
end
electron_heat_flux linear
conductivity 0.0
end
electron_phonon_exchange linear
coefficient 0.0
end
end
Ar_ttm.mat (588 Bytes)
The ATC package in LAMMPS is in the unfortunate state that its developers ran out of funding to work on it a long time ago before it was completed beyond what is documented. They have since moved on to other (funded) projects or retired. There are significant chunks of code for additional features in an incomplete state and we suspect also a non-zero number of bugs in the documented features.
None of the current (core) LAMMPS developers has significant experience with that functionality and thus we have decided to remove the ATC package from LAMMPS after the next stable release (together with some other pruning of unsupported and outdated code), even though there is no real replacement for it. It would require a volunteer skilled in reading/understanding other people’s source code and familiar with the physics of the methodology of coupling MD and FE models that also has sufficient time to support that code to reverse out decision.
For the same reason, there is a very limited chance that somebody here can provide you with help beyond trivial issues.