title: Continuous and Discontinuous Dynamic Crossover in Supercooled Water in Computer Simulations.
abstract: The dynamic crossover behavior of supercooled water as described by the first-principle based WAIL potential was investigated. Below the second liquid-liquid critical point, the viscosity shows a discontinuous jump consistent with a first-order phase transition between the high density liquid and the low density liquid. Above the critical point, a continuous transition occurs with only the first derivative of viscosity being discontinuous, and the dynamic crossover temperature is about 8 K below the thermodynamic switchover temperature. The 8 K shift can be explained by a delay in dynamic crossover, which does not occur until the more viscous liquid starts to dominate the population and jams the flow. On the basis of finite-size effects observed in our simulations, we believe that dynamic discontinuity may be observable above the critical point in confined water when the confinement is on a length scale shorter than the spatial correlation.
authors.affiliation: Department of Chemistry and Biochemistry, University of Arkansas , 119 Chemistry Building, Fayetteville, Arkansas 72701, United States.
authors.forename: Zhonghua
authors.initials: Z
authors.lastname: Ma
authors.affiliation: Department of Chemistry and Biochemistry, University of Arkansas , 119 Chemistry Building, Fayetteville, Arkansas 72701, United States.
authors.forename: Jicun
authors.initials: J
authors.lastname: Li
authors.affiliation: Department of Chemistry and Biochemistry, University of Arkansas , 119 Chemistry Building, Fayetteville, Arkansas 72701, United States.
authors.forename: Feng
authors.initials: F
authors.lastname: Wang
keywords: dynamic discontinuity; fragile to strong crossover; glass dynamics; liquid−liquid transition; viscosity