Hi all,
I am trying to simulate Copper beryllium structure in which Be is 2%. Be is dispersed in the whole copper material. Copper is FCC lattice and Be atoms are introduced in some of the lattices upto 2%.
lattice custom 1 a1 3.615 0 0 a2 0 3.615 0 a3 0 0 3.615 &
basis 0.0 0.0 0.0 &
basis 0.5 0.5 0.0 &
basis 0.5 0.0 0.5 &
basis 0.0 0.5 0.5 &
basis 0.5 0.5 0.5
region box block 0 47.606 0 47.606 0 12.994
create_box 2 box #2 is number of atoms
mass 1 63.546
mass 2 9.012
create_atoms 2 region box &
basis 1 1 &
basis 2 1 &
basis 3 1 &
basis 4 1 &
basis 5 2
If i use lattice command and i insert Be atoms at the centre, it will generate a structure which will have 25% Be in whole material(as 1 Be atom for 4 copper atoms in FCC lattice) .
How to ensure Be to be exactly 2% in the copper metal.