Volume 78, Number 2, April 2007
|Number of page(s)||5|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||30 March 2007|
Stable growth of fcc phase achieved in simulations of defected Lennard-Jones clusters
Department of Applied Physics, Institute of Physics, Lublin University of Technology - ul. Nadbystrzycka 38, 20-618 Lublin, Poland
Corresponding author: email@example.com
Accepted: 5 March 2007
Monte Carlo simulations of growth of defected fcc Lennard-Jones clusters with internal structure proposed by van de Waal were realised from up to 10000 atoms at two reduced temperatures, and 0.50. The preference for the growth of fcc phase is observed solely at the temperature in accordance with theoretical predictions. However, about one-half of the clusters larger than forms some spurious hcp layers. The stable growth of the fcc phase is attributed to kinetic (movement of surface atoms and presence of nonvanishing surface steps) as well as entropic effects preferring fcc over hcp stacking of growth layers.
PACS: 61.46.Bc – Clusters / 61.72.Nn – Stacking faults and other planar or extended defects / 81.10.Aj – Theory and models of crystal growth; physics of crystal growth, crystal morphology, and orientation
© Europhysics Letters Association, 2007
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