I am interested in calculating the force between the indenter tip and the substrate. I have used lammps_1Nov2013 to obtain the force_displacement curves in my system. However, when I increased the number of atoms, the curves is more fluctuant. I am unsure whether my approach in using compute group/group is the correct way or not ?
In my example system, I have two block copper, one is indenter and one is substrate. There are the LJ potential between two block copper.
You can find the input script in the attached file.
I am interested in calculating the force between the indenter tip and the
substrate. I have used lammps_1Nov2013 to obtain the force_displacement
curves in my system. However, when I increased the number of atoms, the
curves is more fluctuant. I am unsure whether my approach in using compute
group/group is the correct way or not ?
for your specific setup, wouldn't it be simpler to use compute/reduce
to determine the net force on the indenter?
I used the command
compute force indenter property/atom fy
compute fatoms indenter reduce sum c_force
And I found that the result is the same with the case I used the “compute group/group”, you can see the data in attached file.
So now I don’t know why the force-displacement curves is more fluctuant with increasing number of atoms.
Thank you,
Vào ngày 1:52 Thứ Ba, 7 tháng 1 2014, Axel Kohlmeyer [email protected] đã viết:
Dear LAMMPS users,
I am interested in calculating the force between the indenter tip and the
substrate. I have used lammps_1Nov2013 to obtain the force_displacement
curves in my system. However, when I increased the number of atoms, the
curves is more fluctuant. I am unsure whether my approach in using compute
group/group is the correct way or not ?
for your specific setup, wouldn’t it be simpler to use compute/reduce
to determine the net force on the indenter?