Simulation of cluster impacts on silicon surface

Document Type

Article

Publication Date

1-1-1997

Abstract

A new hybrid model, combining Molecular Dynamics (MD) with continuum mechanics and thermodynamics, has been developed for studying collisions of energetic particles with a solid surface. MD describes interaction of atoms in the central impact zone characterized by energetic atomic collisions and non-equilibrium states of matter while the continuum model is applied to a much larger volume outside. Appropriate boundary conditions at the interface of the two regions prevent the appearance of unphysical shock wave reflections. The hybrid model is very efficient in computations as it reduces the number of the system's degrees of freedom by minimizing the size of the central MD zone. The model was applied to collisions of a few keV Ar clusters containing approximately 100 atoms with Si(100) surface. The results show that cluster impacts create craters and local melting and that a number of displaced surface atoms have large lateral velocities. The latter may explain the experimentally observed surface smoothing by cluster bombardment.

Identifier

0031547823 (Scopus)

Publication Title

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms

External Full Text Location

https://doi.org/10.1016/S0168-583X(96)00938-X

ISSN

0168583X

First Page

269

Last Page

272

Volume

127-128

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