Hi All
I wanted to simulate thermal conductivity of nanowire with Radius 7.5 nm and height 20nm but I am getting strange values.
I am not sure If i correctly defined the geometry.
setup problem
dimension 3
boundary p p p
atom_style atomic
lattice diamond 5.43
region whole block 0 200 0 200 0 200 units box
create_box 1 whole
region Nanowire cylinder z 100 100 75 100 -100 units box
lattice hcp 5.43 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
create_atoms 1 region Nanowire
regards,
Zeru