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Molecular Dynamics Simulation of Large Cluster Growth

Published online by Cambridge University Press:  22 February 2011

Michael R. Zachariah,
Michael J. Carrier and
Estela Blaisten-Barojas
Michael R. Zachariah
Affiliation:
National Institute of Standards and Technology, Gaithersburg, MD
Michael J. Carrier
Affiliation:
National Institute of Standards and Technology, Gaithersburg, MD
Estela Blaisten-Barojas
Affiliation:
George Mason University, Fairfax, Va
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Abstract

Classical Molecular dynamics simulation of silicon cluster growth (up to 1000 atoms) have been conducted using the Stillinger-Weber 3-body interaction potential. The cluster binding energy has been fit to an expression that separates the surface and bulk contribution to the energy over a wide temperature and size range. Cluster growth simulations show that large heat release results from new bond formation at gas kinetic rates (i.e. sticking coefficient = unity). Temperature was found to be the primary controlling process parameter in the evolution of cluster morphology from an aggregate to a coalesced cluster below 1000 K, with the impact parameter playing a secondary role.

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