[lammps-users] Diffusion simulation using LAMMPS

LAMMPS LAMMPS Mailing List Mirror
1

Hi

  I've tried to implement a simple simulation of a diffusion process (until 1500 Kelvin Degrees using nvt integrator) but the results didn't
show any diffusion.

Could anyone send me a small script simulating a diffusion process?

I'm working on semiconductor materials with SW potential. If your example is in these materials and/or using Stillinger-Weber potential, it will be perfect.

Thanks in advance.

2

Hi

  I've tried to implement a simple simulation of a diffusion process (until 1500 Kelvin Degrees using nvt integrator) but the results didn't
show any diffusion.

Could anyone send me a small script simulating a diffusion process?

i will show you mine, if you show us yours. :wink:

cheers,
   axel.

3

Melting is a non-trivial phenomena in MD. I would just heat it
up some more, it will eventually melt and start diffusing.

Steve

4

hi
ok, there is my simulation, i want to know if i don't put something for simulate diffusion.
thanks.