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Abstract
In the perplexing domain of supercooled water, scientists have dedicated decades to unraveling its mysteries. Using advanced sampling methods within the TIP4P/2005 water model, this study pinpoints the second critical point at temperature Tc= 238±2 K and pressure Pc= 288±30 bar, signifying an abrupt first-order to a gradual continuous phase transition. It also reveals an inflection point as the transition temperature Tt=172±1 K at which a pivotal transformation unfolds marking the stability switching of a two-step nucleation process, unveiling a previously unnoticed mid-density state bridging high- and low-density liquid states. These findings redefine our understanding of liquid-liquid phase transition, contributing to a comprehensive phase diagram for supercooled water including the elusive "no man’s land, unravelling its intricate complexity.
Supplementary materials
Title
Unveiling enigmatic phase transitions of water in the supercooled region and no man’s land
Description
The supplementary materials include detailed Methods, additional graphs, and diagrams to further elucidate and support our findings. We have replicated the results from two prominent research groups: the Princeton group (Science 369, 2020) and the Madrid group (J. Chem. Phys. 133, 2010). To enhance understanding, we have incorporated schematic representations of our findings. Furthermore, we provide robust evidence showcasing the compatibility of our results with extended Landau theory.
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