Simulation Study of Microstructure Transition of Liquid Ge during Rapid Cooling Solidification

Abstract:

Structural and dynamical properties of the rapid solidification process of liquid Ge have been investigated by molecular-dynamics calculations based on the Stillinger-Weber potential. The variations of microstructures during the solidification process are analyzed by the self-diffusion coefficient D(T), pair correlation function g(r) curves and the HA bond-type index method. The melting point implicated in D(T) is about 2100 K. The pair correlation function g(r) obtained by the simulated in liquid Ge is good agreement with experiment, the fist-peak of g(r) gradually becomes higher and sharper with the temperature decreasing, when temperature drops to 1400 K, the second-peak of g(r) begins to split. The change of HA bond-type indicated that the most important structural change occurs in the temperature range 1400 K-700 K.

• Periodical: Materials Science Forum (Volumes 663-665)
• Pages: 1306-1309
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.663-665.1306
• Online since: November 2010
• Authors: Chang Yin Zhu, Quan Xie
• Keywords: HA Bond-Type, Mean-Square Displacement, Molecular Dynamic Simulation, Pair Correlation Function, Stillinger-Weber Potential

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