Hello everyone,

I am studying nano-indentation, in which I am interested in calculating the Von Mises stress for each atom in LAMMPS. I have used the following commands.

compute 1 all stress/atom NULL

variable VM atom sqrt(6 *(c_1[4]^2+c_1[5]^2+c_1[6]^2)+0.5*((c_1[1]-c_1[2])^2+(c_1[2]-c_1[3])^2+(c_1[3]-c_1[1])^2))

for visualisation I used the command

dump 1 all custom 100 dump_txt id type x y z vx vy vz v_VM

I don’t know if the method I’ve applied is correct because when I compare the results obtained, they show higher values than those published in other articles. Thanks a lot for your help.