0 atom is created!!!

Dear Sir:

I am trying to simulate nanometric machining. I use a “read_data” file for the tool and “create_atoms” command for producing my workpiece. My problem is that after finishing the run and checking it in the log file, I found that “0 atom is created”.

I have been struggling a lot with this code and could not solve this issue. I enclosed that troubled coding.

I am suspicious about 2 things:

1- What is the simulation box in such problem? Is the “read_data” the bounds of our simulation box?

2- Should I use “create_box” for the workpiece?

Yours Faithfuly

Nader Ameli

Dear Sir:

I am trying to simulate nanometric machining. I use a “read_data” file for
the tool and “create_atoms” command for producing my workpiece. My problem
is that after finishing the run and checking it in the log file, I found
that “0 atom is created”.

I have been struggling a lot with this code and could not solve this
issue. I enclosed that troubled coding.

I am suspicious about 2 things:

1- What is the simulation box in such problem? Is the “read_data”
the bounds of our simulation box?

​yes, the box is created by read_data. please observe the message that
LAMMPS prints about it in your output.​ you either have to adjust it
directly in the data file or use the change_box command, if the box
dimensions are not what you desire.

2- Should I use “create_box” for the workpiece?

​no. you cannot. in a LAMMPS simulation, you can create the box only once.

the issue for not having atoms created has likely a different reason: your
region for creating atoms may be outside the box.

please review the documentation for the region command ​very carefully and
pay special attention to the "units" keyword and the fact that it defaults
to "lattice" and not "box", which means that all lengths are multiplied by
a factor. this may result in a lack of overlap between your simulation box
and your region and LAMMPS will only create atoms in the overlap volume.

axel.