[lammps-users] Grain boundary

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1

Dear all
I want to create a grain boundary, and I have witten the following:

lattice hex 1

define groups

region 1 block INF INF INF 1.25 INF INF, group lower region 1

region 2 block INF 0 INF INF INF INF, group left region 2

region 3 block 0 INF INF INF INF INF, group rigth region 3

delete_atoms region 3

lattice hex 0.5

create_atoms 1 region 3

#setting

set group left type 2

set group rigth type 3

set group lower type 4

When I run my program, I see the than no setting was made for group right. How can I set parameters for group rigth? How can I make a grain boundary?

Thanks,

AliSh

2

It doesn't look like you created any atoms of type 3. So
when you create a group of atoms with type 3, there won't
be any atoms in the group.

Create a GB by defining a lattice command, creating some
atoms in a region, define a new lattice command (different
orientation), create some more atoms in another region,
check for overlaps, etc.

Steve