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2009 year, number 4

Mechanisms of Nanowhisker Formation: Monte Carlo Simulation

A. G. Nastovjaka, I. G. Neizvestnya, N. L. Shwartza, E. S. Sheremetb
Keywords: Monte Carlo method, simulation, nanowhisker, nanotube
Pages: 72-79


Nanowhisker formation on substrates activated by catalyst drops is studied by Monte Carlo simulation. Dependences of the whisker growth rate on diameter are investigated for various growth modes. The influence of deposition conditions on whisker morphology is examined. It is shown that straight thin whiskers of uniform thickness can be obtained only using a catalyst having a large contact angle with the whisker material. In such a physicochemical system, variation of growth conditions can result in nanotube formation. An atomic mechanism for the formation of a hollow whisker is proposed. Ranges of model growth conditions suitable for the growth of nanowhiskers and nanotubes are determined.