Abstract
ABSTRACTThe initial stage of film formation process was studied by 2 dimensional (2D) Monte-Carlo (MC) simulation and 3D molecular dynamics (MD) simulation. The atomistic interaction was simple pair-wise Lcnnard-Joncs potential for the 2D MC study and embedded atom potential (EAM potential) for the 3D MD simulation. The 2D MC study has revealed the dependence of film growth mode on the potential parameters that correspond to atomic size and binding energy. More realistic MD simulation has been performed using EAM potential for the three kinds of systems, Ni/Cu(111), Ag/Cu(111) and Au/Ni(111). The relaxed atomic structures of such systems showed the difference of atomic combination; coherent interface was obtained for Ni/Cu(111) system, incoherent interface with specific rotational relationships for Ag/Cu(111) andAu/Ni(111).
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