Variable as a function of temperature

Submitted by toru68 on Sat, 09/07/2019 - 09:29

I want to use thermal conductivity as a function of temperature. For instance, as simplest form,

variable kt equal temp
variable kt equal f_Temp


fix ftco all property/global thermalConductivity peratomtype v_kt

But this gives “ERROR: Could not find thermo custom fix ID”

LIGGGHTS manual is a bit confusing about thermo_style. Unlike LAMMPS, liggghts thermo_style command does not take “temp” as an argument. I can dump f_Temp values by just using f_heattransfer argument in thermo_style, when I use a constant conductivity.

Would anyone teach me how to solve this?
I now understand my silly mistake. The right thing to do seems to be as follows.

variable tk atom f_Temp
variable kt atom "some function of v_tk"
fix at0 all property/atom thermalConductivity scalar no no no 7.0
run 1
set atom * property/atom thermalConductivity v_kt

It seemed to work all right.

40044600's picture

40044600 | Mon, 12/09/2019 - 22:58

Hey toru86,

Did you successfully implement temperature dependant variables?
I tried to use your set command above but returns an error.