TY - JOUR
T1 - Packing fraction of crystalline structures of binary hard spheres
T2 - a general equation and application to amorphization
AU - Brouwers, H.J.H.
PY - 2008
Y1 - 2008
N2 - In a previous paper analytical equations were derived for the packing fraction of crystalline structures consisting of bimodal randomly placed hard spheres H. J. H. Brouwers, Phys. Rev. E 76, 041304 2007. The bimodal packing fraction was derived for the three crystalline cubic systems: viz., face-centered cubic, bodycentered cubic, and simple cubic. These three equations appeared also to be applicable to all 14 Bravais lattices. Here it is demonstrated, accounting for the number of distorted bonds in the building blocks and using graph theory, that one general packing equation can be derived, valid again for all lattices. This expression is validated and applied to the process of amorphization.
AB - In a previous paper analytical equations were derived for the packing fraction of crystalline structures consisting of bimodal randomly placed hard spheres H. J. H. Brouwers, Phys. Rev. E 76, 041304 2007. The bimodal packing fraction was derived for the three crystalline cubic systems: viz., face-centered cubic, bodycentered cubic, and simple cubic. These three equations appeared also to be applicable to all 14 Bravais lattices. Here it is demonstrated, accounting for the number of distorted bonds in the building blocks and using graph theory, that one general packing equation can be derived, valid again for all lattices. This expression is validated and applied to the process of amorphization.
U2 - 10.1103/PhysRevE.78.011303
DO - 10.1103/PhysRevE.78.011303
M3 - Article
SN - 1539-3755
VL - 78
JO - Physical review E: Statistical, nonlinear, and soft matter physics
JF - Physical review E: Statistical, nonlinear, and soft matter physics
IS - 1
M1 - 011303
ER -