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Citation: Zhou Guo-Rong, Wu You-Shi, Zhang Chuan-Jiang, Zhao Fang. Molecular Dynamics Simulations of the Effect of Icosahedral Quasicrystal on the Formation of Amorphous[J]. Acta Physico-Chimica Sinica, ;2003, 19(01): 13-16. doi: 10.3866/PKU.WHXB20030104 shu

Molecular Dynamics Simulations of the Effect of Icosahedral Quasicrystal on the Formation of Amorphous

1.
College of Materials Science and Engineering, Shandong University (Southern Campus), Jinan　250061

Received Date: 14 May 2002
Available Online: 15 January 2003

By means of molecular dynamics simulation technique, the solidification process of Ni under different cooling rates has been studied. The variation of potential energy with temperature and the relationship between the energy and the structure of molecular-cluster have also been studied. With pair distribution function and pairs analysis method, the local symmetry of molecular-cluster has been analyzed. From the view of pair’s analysis, the conclusion has been discussed.
- Icosahedral quasicrystal;Molecular dynamics simulations;EAM (embeded atom method) potential
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