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 -