Once again, I am finding very peculiar dissipation of atoms into a vacuum. In this case, the temperature never increases above 50K, which certainly should not result in vaporisation of the atoms. However, the nanowire completely disintegrates and the atoms re-disperse towards the corners of the simulation box. Oh, and the pressure never increases beyond 1200 (which is admittedly quite high). Why?
Is it impossible to simulate a nanowire that is this small, without dispersion of the atomic structure?
boundary p p p
lattice fcc 4.03
#---------- Define Geometry
region whole block 0 10 0 10 0 10
region wire cylinder y 5 5 4 0 10
create_box 1 whole
create_atoms 1 region wire
pair_coeff * * Al99.eam.alloy Al
compute csym all centro/atom fcc
compute pe all pe/atom
dump 1 all cfg 1000 dump.Compress_*.cfg id type xs ys zs c_csym c_pe fx fy fz
thermo_style custom temp press pxx pyy pzz lx ly lz pe etotal
velocity all create 50 12345 rot yes mom no
fix 1 all npt temp 50 50 1 iso 0 0 10 drag 1.0