Molecular dynamics simulation of surface melting behaviours of the V(110) plane
Yang Xi-Yuan(阳喜元)a)b)† , Hu Wang-Yu(胡望宇)b),Yuan Xiao-Jian(袁晓俭)b), and Cai Xin-Hua(蔡新华)a)
a Department of Physics and Electronics, Hunan University of Arts and Science, Changde 415000, China; b School of Physics and Microelectronics Science, Hunan University, Changsha 410082, China
Abstract The modified analytic embedded-atom method and molecular dynamics simulations are applied to the investigation of the surface premelting and melting behaviours of the V(110) plane by calculating the interlayer relaxation, the layer structure factor and atomic snapshots in this paper. The results obtained indicate that the premelting phenomenon occurs on the V(110) surface at about 1800K and then a liquid-like layer, which approximately keeps the same thickness up to 2020K, emerges on it. We discover that the temperature 2020K the V(110) surface starts to melt and is in a completely disordered state at the temperature of 2140K under the melting point for the bulk vanadium.
Received: 26 December 2007
Revised: 03 March 2008
Accepted manuscript online:
(Structure of clean surfaces (and surface reconstruction))
Fund: Project supported by the National
Natural Science Foundation of China (Grant No 50671035), the
Scientific Research Fund of Hunan Provincial Education Department of
China (Grant No 07C445) and the Grant of the 11${\rm th}$ Five-year
Plan for
Key Construction Academic Subject of Hunan Province, China.
Cite this article:
Yang Xi-Yuan(阳喜元), Hu Wang-Yu(胡望宇), Yuan Xiao-Jian(袁晓俭), and Cai Xin-Hua(蔡新华) Molecular dynamics simulation of surface melting behaviours of the V(110) plane 2008 Chin. Phys. B 17 2633
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