Subject: fcc lattice of binary hard sphere mixture

From: [email-masked] (Danny Yau)
Date: Tue, 11 Apr 1995 20:38:35 +0800 (HKT)

Dear Netters:

	I would like to investigate the liquid-solid transition state of
binary hard sphere mixture by using order parameter in Monte-Carlo
simulation. I need a perfect fcc lattice of binary hard sphere mixture
for my starting configuration. In Allen's text book, it only provide the
fcc perfect lattice in pure component. It work ok in binary mixture if
the reduced density is low(e.g. 0.2). But overlap is occured when
reduced density is getting high such as 0.9. That what I need in the
phase transition density of binary mixture. Would anyone has that kind
of program to create the perfect face-centre-cubic lattice of binary
mixture(i.e. two different size of the particles,such as NaCl, KCl) in high
density? Would you please send this program to me or give me any idea to
get them?

	Thank in advance for any responds.

Best wishes,
-- 
Danny Yau                       email: [email-masked]   
Department of chemistry,           or  [email-masked]
The university of Hong Kong.