Glass Transition of Low-Density Amorphous Water and Related Structures

摘要：

In this work, the glass transition of water was studied with density functional theory. The transition temperature was determined by measuring the heat capacity Cp of low-density amorphous water during rapid heating. This technique ensures that all measurements were implemented without crystallization occurring, which is difficult to be achieved experimentally. The results showed that the glass transition occurs at 171 K, which is much higher than the reported value of 136 K. In addition, the triply hydrogen-bonded water molecules were found when T>180 K, demonstrating the existence of the liquid structure at the higher temperature range.

作者: C.He J.S.Lian Q.Jiang

作者单位: Key Laboratory of Automobile Materials, Ministry of Education, and Department of Materials Science and Engineering, Jilin University, Changchun J 30025, China

会议类型: 国际会议

会议名称: 第四届国际分子模拟与信息技术应用学术会议(The 4th International Conference of Molecular Simulations and Applied Informatics Technologies)

会议地点: 广州

会议语种:英文

页码: 1191-1194

在线出版日期: 2008-11-01（万方平台首次上网日期，不代表论文的发表时间）