Dear all,
I want to build coating of DLC(Diamond-like carbon) on the surface of Fe by the method of quench. The three kinds of zone are included in substrate of Fe(fix layer, thermostat layer and newtoian layer), the eam/fs and rebo was described interaction for Fe-C, Fe-Fe，C-C. however, when I run my script, the atom of thermostat_layer fluctuation is too big,even blown up in the box, the May I ask if there method to slove this problems ?
Thank you very much!
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pair_style hybrid/overlay eam/fs rebo
pair_coeff * * eam/fs FeC_Hepburn.eam.fs Fe Fe Fe C
pair_coeff * * rebo CH.airebo NULL NULL NULL C
velocity thermostat_layer create 300.0 5812775 mom yes rot yes dist gaussian units box
compute newTemp thermostat_layer temp
fix 1 thermostat_layer nvt temp 300 300 0.1
fix 2 boundary_layer setforce 0.0 0.0 0.0
velocity boundary_layer set 0 0 0 units box
fix 5 all wall/reflect zhi EDGE
thermo 100
timestep 0.001
reset_timestep 0
thermo_style custom step temp press pe ke etotal pzz vol
run 10000
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