Acta Phys. -Chim. Sin. ›› 2003, Vol. 19 ›› Issue (12): 1163-1166.doi: 10.3866/PKU.WHXB20031215

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The Ability of Glass Formation Dominated by the Mismatch in Atomic Size

Qin Xu-Bo;Zhang Yan-Ning;Lu Jian-Lin   

  1. The Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061; Machine Shop of Jinan Railway Bureau, Jinan 250001
  • Received:2003-05-30 Revised:2003-08-04 Published:2003-12-15

Abstract: The structure and thermodynamics of liquid Au and AuCu alloys have been simulated using molecular dynamics method based upon the EAM interatomic potential to reveal the influence of the mismatch in atomic size on the glass-forming ability. Under the cooling rate in the range of 4×1012 K•s-1 to 5×1011 K•s-1, the system undergoes the liquid, super-cooled liquid and solid state processes. Liquid Au always forms the crystal, the higher the cooling rate, the lower the crystallization temperature; while AuCu alloy forms a glass, the higher the cooling rate, the higher the glass transition temperature. The mismatch in atomic size is favorable to the formation of glass.

Key words: Molecular dynamics simulation, Crystal and glass, Mismatch in atomic size