| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Tracing Nucleation and Growth on Atomic Level in Amorphous Sodium by Molecular Dynamics Simulation |
| HOU Zhao-Yang1, LIU Li-Xia2, LIU Rang-Su3, TIAN Ze-An3 |
| 1Department of Applied Physics, Chang'an University, Xi'an 710064 2College of Science, Xidian University, Xi'an 710071 3School of Physics and Microelectronics Science, Hunan University, Changsha 410082 |
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| Cite this article: |
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HOU Zhao-Yang, LIU Li-Xia, LIU Rang-Su et al 2010 Chin. Phys. Lett. 27 036101 |
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Abstract Crystallization of amorphous Na is simulated by using the molecular dynamics method, and the evolutions of atomic clusters are traced by the cluster-type index method (CTIM) we proposed previously. It is demonstrated that the crystallization process exhibits three distinct stages of nucleation, subsequent growth of nuclei and coarsening of crystal grains. Both the size and the internal structure of a cluster play crucial roles in determining whether it is a nucleus. The cluster tracing analysis can identify different crystallization stages more clearly and accurately than other methods. Meanwhile, the simulation results can provide a reasonable explanation at an atomic level for the experimental phenomenon obtained previously.
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| Keywords:
61.43.Bn
64.60.Qe
81.10.Aj
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Received: 14 September 2009
Published: 09 March 2010
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| PACS: |
61.43.Bn
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(Structural modeling: serial-addition models, computer simulation)
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64.60.qe
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(General theory and computer simulations of nucleation)
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81.10.Aj
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(Theory and models of crystal growth; physics and chemistry of crystal growth, crystal morphology, and orientation)
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