Dear All,
I am trying to simulate the LAMMPS input script on crack growth. The script is for hex style, I am using the same to do for FCC (Ni). Can anyone suggest me what boundary condition should I use ?
Agraj
Dear All,
I am trying to simulate the LAMMPS input script on crack growth. The script
is for hex style, I am using the same to do for FCC (Ni). Can anyone suggest
me what boundary condition should I use ?
why should that be different?
axel,
Sir,
I am simulating the script with same boundary condition (S S P), but in the dump file my box sizes are changing with time. X and Y co-ordinates are becoming more and more negative.
So I tried to fix the boundaries, dont know whether I am right or wrong.
I am using Ni eam potential file and corresponding pair style. I am making no other change in the script apart from changing the region dimension.
Agraj
Sir,
I am simulating the script with same boundary condition (S S P), but in the
dump file my box sizes are changing with time. X and Y co-ordinates are
becoming more and more negative.
So I tried to fix the boundaries, dont know whether I am right or wrong.
you are wrong.
I am using Ni eam potential file and corresponding pair style. I am making
no other change in the script apart from changing the region dimension.
here is the real problem. you cannot just do that.
have you _read_ the input?
it does a 2d model simulation in reduced units.
how the hell should that work by dropping in an EAM potential???
axel.
I would also suggest you visualize your dump file. Then
you will understand why the box bounds are as listed.
Also - an EAM potential is parameterized as a function
of the density of atoms around each atom. That is
very different in 3d vs 2d. Hence EAM potentials make
little physical sense in 2d.
Steve