| Glass Transition Temperature of Water： from Simulations of Diffusion and Excess Entropy |
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| 引用本文： | 刘佳,王淑英,郑才平,辛丽娟,王丹,孙民华.Glass Transition Temperature of Water： from Simulations of Diffusion and Excess Entropy[J].中国物理快报,2007,24(7):2025-2027. |
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| 作者姓名： | 刘佳 王淑英 郑才平 辛丽娟 王丹 孙民华 |
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| 作者单位： | Department of Physics, Harbin Normal University, Harbin 150025 |
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| 基金项目： | Supported by the Scientific Research Fund of the Heilongjiang Provincial Education Department under Grant No 11511125. |
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| 摘 要： |
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| 关 键 词： | 迁移温度 模拟技术 熵 扩散方法 |
| 收稿时间： | 2007-2-11 |
| 修稿时间： | 2007-02-11 |
Glass Transition Temperature of Water: from Simulations of Diffusion and Excess Entropy |
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| 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].Chinese Physics Letters,2007,24(7):2025-2027. |
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| Authors: | LIU Jia WANG Shu-Ying ZHENG Cai-Ping XIN Li-Juan WANG Dan SUN Min-Hua |
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| Institution: | Department of Physics, Harbin Normal University, Harbin 150025 |
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| 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. |
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| Keywords: | 61 20 Gy 61 25 Em 64 70 Ja |
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