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Melting tungsten nanoparticles: a molecular dynamics study

Amitava Moitra1,2, Sungho Kim1,2, Jeff Houze1,2, Bohumir Jelinek1,2, Seong-Gon Kim1,2, Seong-Jin Park2,3, Randall M German2,3 and Mark F Horstemeyer2,3

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We report a molecular dynamics simulation of melting of tungsten (W) nanoparticles. The modified embedded atom method interatomic potentials are used to describe the interaction between tungsten atoms. The melting temperature of unsupported tungsten nanoparticles of different sizes are found to decrease as the size of the particles decreases. The melting temperature obtained in this study is approximately a decreasing function of inverse radius, in good agreement with the predictions of thermodynamic models. We also observed that the melting of a W nanoparticle is preceded by the premelting of its outer skin at a temperature lower than its melting temperature.


PACS

64.70.D- Solid–liquid transitions

65.80.+n Thermal properties of small particles, nanocrystals, nanotubes

61.46.Df Structure of nanocrystals and nanoparticles ("colloidal" quantum dots but not gate-isolated embedded quantum dots)

Subjects

Nanoscale science and low-D systems

Condensed matter: structural, mechanical & thermal

Dates

Issue 18 (21 September 2008)

Received 17 December 2007, in final form 20 June 2008

Published 28 August 2008



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