Acta Phys. -Chim. Sin. ›› 2007, Vol. 23 ›› Issue (07): 1071-1074.doi: 10.3866/PKU.WHXB20070720

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Freezing Process of Al Nanowires by Molecular Dynamics Simulation

ZHOU Guo-Rong; LI Bei-Qi; GENG Hao-Ran; TENG Xin-Ying; CHEN Guang-Li   

  1. College of Materials Science and Engineering, Jinan University, Jinan 250022, P. R. China; Shandong Institute of Education, Jinan 250013, P. R. China
  • Received:2007-01-08 Revised:2007-03-21 Published:2007-07-03
  • Contact: ZHOU Guo-Rong E-mail:mse_zhougr@ujn. cn

Abstract: The freezing behavior of Al nanowires at different cooling rates was studied by using the classic molecular dynamics simulation via embedded atom method (EAM) potentials. In order to distinguish the evolution of the local clusters in the cooling process of Al nanowires with different cooling rates, pair analysis technique was employed. The simulation results indicated that the microstructure of the nanowires changed from amorphous to helical multi-shelled structure with the decrease of cooling rate. The helical multi-shelled structure owed some features of amorphous structure, but it was more stable than the later. Moreover, even if the cooling rate decreased to 1×109 K·s-1, Al nanowires still kept the helical multi-shelled structure.

Key words: Nanowires, Helical multi-shelled structure, Microstructures, Pair analysis


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