Hi
all ,I have encountered a unexpected results in group definition.
the script are listed below:
lattice hcp 3.2440
region region_solid block 0 4 0 10 0 10
region region_liquid block 0 4 0 10 10 20
region region_total union 2 region_liquid region_solid
create_box 1 region_total
create_atoms 1 box
group grp_liquid region region_liquid
group grp_solid region region_solid
in the script,I have created two region with the same volume(region_solid and region_liquid) and merge it into one (region_total).then create the simulation box with region region_total.
durint the run,the atom sum created is perfectly 41020*4=3200however ,the atom sum contained in the group grp_solid is 1680 instead of 1600.why it will happen? how i can avoid it .thanks in advance.
ChenJi
Material Science And Engineering Department
Xi’An Technological University
Xi’An,ShanXi Province,710032
P.R.C.