%0 Journal Article %T Glass Transition Temperature of Water: from Simulations of Diffusion and Excess Entropy
Glass Transition Temperature of Water: from Simulations of Diffusion and Excess Entropy %A LIU Jia %A WANG Shu-Ying %A ZHENG Cai-Ping %A XIN Li-Juan %A WANG Dan %A SUN Min-Hua %A
刘佳 %A 王淑英 %A 郑才平 %A 辛丽娟 %A 王丹 %A 孙民华 %J 中国物理快报 %D 2007 %I %X 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. %K 61 %K 20 %K Gy %K 61 %K 25 %K Em %K 64 %K 70 %K Ja
迁移温度 %K 模拟技术 %K 熵 %K 扩散方法 %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=03664AC44D480818574B831562EEA11E&yid=A732AF04DDA03BB3&vid=B91E8C6D6FE990DB&iid=DF92D298D3FF1E6E&sid=E6A891D2134F30C0&eid=8E60891DE9EC9643&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=0