S. SENTURK DALGIC^1,* , U. DOMEKELI¹

Abstract

The melting process of Sn nanowires has been simulated by using molecular dynamics with the modified analytic embedded atom method (MAEAM) interatomic potentials. The wires studied here are chosen approximately cylindrical in cross-section. The periodic boundary conditions has been applied along their length; the atoms were arranged initially in a crystal structure of β-Sn block which belongs to tetragonal group with the [0 0 1] direction parallel to the long axis of the wire. The size effects of the nanowires on the melting temperatures have been investigated. In order to characterize melting transition, we have interested in some structural, energetic and dynamical quantities of Sn nanowires. We find that for the nanoscale regime, the melting temperatures of Sn nanowires are much lower than that of the bulk. It has been resulted that melting point of Sn nanowires shifts to higher temperatures when the diameter of nanowires increased. There is in a good agreement between the results obtained from MD simulations and other theoretical and experimental data. When a nanowire is heated up above the melting temperature, the neck of the nanowire begins to arise and the diameter of neck decreases rapidly with the equilibrated running time. Finally, the breaking of nanowire arises, which leads to the formation of the spherical nanoparticles..

Keywords

Sn Nanowires, MD simulation, Melting process.

Submitted at: June 2, 2011
Accepted at: Nov. 23, 2011

Citation

S. SENTURK DALGIC, U. DOMEKELI, Molecular dynamics simulation studies on melting of Sn nanowires, Journal of Optoelectronics and Advanced Materials Vol. 13, Iss. 11-12, pp. 1570-1576 (2011)

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