Abstract
We have investigated two-dimensional systems of about 4000 classical particles interacting via the Lennard-Jones pair-potential using the Metropolis Monte Carlo algorithm. In this system we consider metastable structures of small crystalline grains which are randomly connected by a network of boundaries. The atomic structure in the grains is a nearly ideal triangular lattice. The network of boundaries however forms a highly defective structure which is determined by the boundary conditions set by the crystalline grains. The results are presented in terms of the pair probability function and the static structure factor associated with the crystalline and the interfacial domain of the system. It is the objective of this work to propose a conceptually simple model for nanostructured materials, which can be used for a qualitative description of the complex properties of nanocrystalline material.
Published Version
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