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...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.展开更多
文摘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.
