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In contrast to the abundance of work on the anomalous behavior of water, therelationship between the water's thermodynamic anomalies and kinetics of phasetransition from metastable water is relatively unexplored. In this work, wehave employed classical density functional theory to provide a unified andcoherent picture of nucleation (both vapor and ice) from metastable water,especially at negative pressure conditions. Our results suggest a peculiarnon-monotonic temperature dependence of liquid-vapor surface tension attemperatures where liquid-vapor coexistence is metastable with respect to theice phase. The vapor nucleation barrier on isochoric cooling also shows anon-monotonic temperature dependence. We further note that, for lower densityisochores, the temperature of minimum vapor nucleation barrier ($T_{\Delta\Omega_{\rm v/min}^*}$) does not coincide with the temperature of maximumdensity (TMD) where metastability is maximum. The temperature differencebetween the $T_{\Delta \Omega_{\rm v/min}^*}$ and the TMD, however, decreaseswith increasing the density of the isochore, suggesting a strong correlationbetween the propensity of cavitation and metastability of the liquid water athigh densities. The vapor nucleation barrier along isobaric cooling shows aninteresting crossover behavior where it first increases on lowering thetemperature and then shows a non-monotonic behavior in the vicinity of theWidom line on further lowering the temperature. Our results on the icenucleation from metastable water show an anomalous retracing behavior of theice nucleation barrier along isotherms and theoretically validate the recentfindings that the reentrant ice(Ih)-liquid coexistence can induce a drasticchange in the kinetics of ice nucleation. In addition, this study also providesdeeper insights into the origin of the isothermal compressibility maximum onisochoric cooling.

Anomalous Vapor and Ice Nucleation in Water at Negative Pressures: A Classical Density Functional Theory Study