Structure of sequentially deposited bury assemblies of hard discs with a square-well potential

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Abstract
Binary assemblies of hard discs have been grown, in a computer simulation, by sequential deposition, using a minimum-energy criterion for choosing the next site, for a comprehensive range of concentrations and size ratios. A square-well form for the pair potentials was used. The resulting phase diagram is substantially different from that obtained using the Bennett algorithm by Rubinstein and Nelson (1982). The transition from crystalline to amorphous structures is not accomplished via a hexatic phase, but via either polycrystallinity or a crystailine/amorphous phaseseparated structure, depending on the size ratio. Various stoichiometric crystalline structures are observed under appropriate conditions. For amorphous and partly amorphous assemblies, at critical values of the concentration and size ratio a transition from a smooth to a rough assembly boundary occurs. All these features may be accounted for by considering the geometric and energetic constraints on the system.

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