Hello all
I am just trying to make a grain boundary in middle of cylinder. That grain boundary should be parallel to axis of cylinder and passing through center. and i used the same concept as given in lammps tutorial - 5. but i am not getting expected result. Below is my code for atomistic structure.
lattice fcc ${latparam}
region whole cylinder z 0.0 0.0 30.000000 -45.000000 45.000000 units box
create_box 2 whole
region left block INF INF -45.000000 0.000000 INF INF units box
lattice fcc 4.05 orient x 0 3 1 orient y 0 -1 3 orient z 1 0 0
create_atoms 1 region left
region right block INF INF 0.000000 45.000000 INF INF units box
lattice fcc 4.05 orient x 0 3 -1 orient y 0 1 3 orient z 1 0 0
create_atoms 2 region right
group left type 1
group right type 2
and once again i used same code removing that two line involving making group and used
group comp region whole
group lt region left
group rt region right
group leftgrain intersect lt comp
group rightgrain intersect rt comp
but i am not getting result in either of them.
please tell me where i am wrong.
thanks
Anurag Kumar
Hello all
I am just trying to make a grain boundary in middle of cylinder.
That grain boundary should be parallel to axis of cylinder and passing
through center. and i used the same concept as given in lammps tutorial -
5. but i am not getting expected result. Below is
there is no "tutorial 5" in the LAMMPS distribution, so you have to be
more specific as to what you are referring to as a reference.
my code for atomistic structure.
lattice fcc ${latparam}
region whole cylinder z 0.0 0.0 30.000000 -45.000000 45.000000 units box
create_box 2 whole
region left block INF INF -45.000000 0.000000 INF INF units box
lattice fcc 4.05 orient x 0 3 1 orient y 0 -1 3 orient z 1 0 0
create_atoms 1 region left
region right block INF INF 0.000000 45.000000 INF INF units box
lattice fcc 4.05 orient x 0 3 -1 orient y 0 1 3 orient z 1 0 0
create_atoms 2 region right
group left type 1
group right type 2
and once again i used same code removing that two line involving making
group and used
group comp region whole
group lt region left
group rt region right
group leftgrain intersect lt comp
group rightgrain intersect rt comp
but i am not getting result in either of them.
it is not clear to me, what you mean by "not getting result". you have to
describe what is not exactly the way you want to be. in the case of a
system creation, this is best shown with a couple of snapshot images.
please tell me where i am wrong.
debugging an input script is not a service of the mailing list, but your
own task.
if you believe that an individual LAMMPS command is not working as
expected, then please provide a complete(!) input script documenting the
supposedly faulty behavior.
axel.
I am extremely sorry that i didn’t provide enough information. So here it goes, My reference ( Tutorial-5 ) was https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Help3 . and not getting the result means i want to make a cylindrical region of aluminium having a grain boundary parallel to the axis of cylinder. but as a result, i am getting cuboid instead of cylinder. and i have attached some images below. and i am not expecting that someone will debug my input script and will provide me the right answer. just give me some idea why i am not getting the cylinder using code for atomistic structure.
my code for atomistic structure.
lattice fcc ${latparam}
region whole cylinder z 0.0 0.0 30.000000 -45.000000 45.000000 units box
create_box 2 whole
region left block INF INF -45.000000 0.000000 INF INF units box
lattice fcc 4.05 orient x 0 3 1 orient y 0 -1 3 orient z 1 0 0
create_atoms 1 region left
region right block INF INF 0.000000 45.000000 INF INF units box
lattice fcc 4.05 orient x 0 3 -1 orient y 0 1 3 orient z 1 0 0
create_atoms 2 region right
group left type 1
group right type 2
and once again i used same code removing that two line involving making group and used
group comp region whole
group lt region left
group rt region right
group leftgrain intersect lt comp
group rightgrain intersect rt comp
I am extremely sorry that i didn't provide enough information. So here it
goes, My reference ( Tutorial-5 ) was
https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Help3 . and not
getting the result means i want to make a cylindrical region of aluminium
having a grain boundary parallel to the axis of cylinder. but as a result,
i am getting cuboid instead of cylinder. and i have attached some images
below. and i am not expecting that someone will debug my input script and
will provide me the right answer. just give me some idea why i am not
getting the cylinder using code for atomistic structure.
my code for atomistic structure.
because you use a block as the region to be filled with atoms. if you want
that to be part of a cylinder, you have to use the intersection of the
block and the cylinder regions.
axel.