P. Quemerais et F. Ducastelle, CHEMICAL AUTOMATON FOR CRYSTAL-GROWTH - STABLE STRUCTURES FROM NONEQUILIBRIUM PROCESSES, Computational materials science, 8(1-2), 1997, pp. 199-207
A chemical growth model for binary alloys is presented. At each step,
using a simple energetic criterion, an A or B atom is aggregated to th
e growing cluster. Two one-dimensional models are considered. The firs
t one is a lattice-gas model with short-range decreasing and convex ch
emical interactions. It is proved that the growing structures are the
so-called uniform structures where the atoms are arranged as regularly
as possible and which are known to be the ground state equilibrium st
ructures of the same model. When the interactions are not convex, othe
r ordered structures can grow for appropriate initial conditions. The
second model uses an electronic tight-binding Hamiltonian for which th
e growth of uniform structures is also observed.