摘要We report a computer simulation study of the glass transition of water with SP2 potential. The temperature dependences of the diffusion coefficient and the excess entropy on cooling process are calculated. It is found that both the diffusion coefficient and the excess entropy show a break point at 160K. Our results support the viewpoint that the glass transition temperature is 160K. According to the calculated viscosity, we obtain a fragility index of water to be 326, which is much larger than the value accepted before.
Abstract：We report a computer simulation study of the glass transition of water with SP2 potential. The temperature dependences of the diffusion coefficient and the excess entropy on cooling process are calculated. It is found that both the diffusion coefficient and the excess entropy show a break point at 160K. Our results support the viewpoint that the glass transition temperature is 160K. According to the calculated viscosity, we obtain a fragility index of water to be 326, which is much larger than the value accepted before.
LIU Jia;WANG Shu-Ying;ZHENG Cai-Ping;XIN Li-Juan;WANG Dan;SUN Min-Hua. Glass Transition Temperature of Water: from Simulations of Diffusion and Excess Entropy[J]. 中国物理快报, 2007, 24(7): 2025-2027.
LIU Jia, WANG Shu-Ying, ZHENG Cai-Ping, XIN Li-Juan, WANG Dan, SUN Min-Hua. Glass Transition Temperature of Water: from Simulations of Diffusion and Excess Entropy. Chin. Phys. Lett., 2007, 24(7): 2025-2027.
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2007, Vol. 24 
