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Phys. Rev. B 65, 035411 (2001) [9 pages]

Local cluster formation in a cobalt melt during the cooling process

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Li Hui1,2,*, Wang Guanghou1, Bian Xiufang3, and Ding Feng1
1National Laboratory of Solid State Microstructures of Nanjing University, Nanjing, P. R. China 210093
2Mechanical Department, Shandong Institute of Technology, Zibo, P. R. China 255012
3The Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan, P. R. China 250061

Received 11 April 2001; revised 2 July 2001; published 26 December 2001

Investigations of the thermal evolution of the structural and dynamic properties of small cobalt clusters in melt are performed using molecular-dynamics simulations with a Finnis-Sinsclaire potential. The mean square displacements, atomic volume, and internal energy, as well as the pair correlation function and bonded pairs, are obtained from quick and slow cooling simulations, respectively. The splitting of a second peak of pair correlation function is due to the presence of icosahedron-type clusters. The results demonstrate that the transition from a supercooled-liquid to a crystal is a discontinuous transition in structure, while the supercooled-liquid to glass transition is a continuous transition in structure. The physical picture of the structure of metallic glass is a disordered entanglement with a lot of icosahedra.

© 2001 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.65.035411
DOI:
10.1103/PhysRevB.65.035411
PACS:
64.70.Dv

*To whom correspondence should be addressed. Email address: wangqun@nju.edu.cn