Respected lammps users, I am trying to melt silver on diamond surface with lammps version march, 2022 Here is my script
‘’'# set potential function and parameters
units metal
dimension 3
boundary p p p
atom_style atomic
neighbor 0.5 bin
neigh_modify delay 5
region simbox block -65 143 -1 299 -89 195 units box
lattice fcc 3.567
region substratediamond block -63 141 -85 79 -80 190 side in units box
lattice fcc 4.09
region silver block 2.5 77.5 81 136 30 80 side in units box
create_box 2 simbox
mass 1 12
mass 2* 107.8
create_atoms 1 region substratediamond
create_atoms 2 region silver
group diamondslab region substratediamond
group silvermetal region silver
set group diamondslab type 1
set group silvermetal type 2
pair_style hybrid eam lj/cut 12
pair_coeff 1 1 none
pair_coeff 22 22 eam Ag_u3.eam
pair_coeff 1 2 lj/cut 0.043 3.5
thermo 1
thermo_style custom step lx ly lz press pxx pyy pzz pe temp
thermo_modify norm yes
thermo_modify lost ignore flush yes
#minimize 1.0e-21 1.0e-21 10000 10000
timestep 0.001
velocity silvermetal create 1500 12345 mom no rot no
run 0
velocity silvermetal scale 1500
fix 1 silvermetal nvt temp 1500 1500 0.1
fix 5 diamondslab setforce 0 0 0
#fix 3 diamondslab move linear 0 0 0
dump movie all atom 100 m.flatgroove
run 1100000’‘’
After running the complete simulation the temperature of equilibration is just 68K while I have set it 1500K. When I just try to use any temperature for melting silver only it gets the thermoset equilibration temperature. What is this problem?
Thanks for cooperation