Temperature problem in radiation simulation

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1

Dear LAMMPS_Users

I am running radiation damage simulation. First i equilibrated at 300K for 100Ps and then run k Primary Knock-on atom (PKA) of energy 10KeV and calculated temperature is around 550-600K. howver my simulation box is equilibrated at 300K.

Thanks
Mi Kia

2

Dear LAMMPS_Users

I am running radiation damage simulation. First i equilibrated at 300K for
100Ps and then run k Primary Knock-on atom (PKA) of energy 10KeV and
calculated temperature is around 550-600K. howver my simulation box is
equilibrated at 300K.

​yes, but you suddenly added a whole lot of energy to one of your atoms. by
default the temperature printed in thermo output is the temperature for the
whole system.

axel.​