Hi all,
I need to perform a thermal shock simulation on a material to observe the evolution of its surface. I am using LAMMPS for the purpose. I have divided the whole system into 3 regions viz. top_section, middle_section and lower_section and fixed their temperature to 500K, 100K and 10K respectively (the temperature can be anything, the point is to impose a sudden high temperature gradient). This is followed by an NVE simulation.
Is this the correct way to do thermal shock simulations?
Thanks