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SUMMARY:The Phase Behaviour of Supercooled Water: Recent Computational Res
 ults. - Professor Pablo Debenedetti\, Princeton University
DTSTART:20210428T133000Z
DTEND:20210428T143000Z
UID:TALK153688@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Water plays a central role in the physical and chemical proces
 ses that sustain life as we know it. Its ubiquity and importance notwithst
 anding\, there remain major open questions concerning the microscopic orig
 in and thermodynamic consequences of water’s physical properties\, which
  are anomalous by comparison to those of most other liquids. Water’s odd
 ities become more pronounced at low temperatures\, especially in the super
 cooled regime\, where the liquid is metastable with respect to crystalliza
 tion. The existence of a first- order phase transition between two liquid 
 forms of water\, terminating at a critical point under deeply supercooled 
 conditions\, has been proposed as a thermodynamically consistent way of in
 terpreting experimental observations (e.g.\, Mishima and Stanley\, Nature\
 , 396\, 329\, 1998). I will present recent computational results on metast
 able criticality in realistic models of water (Debenedetti et al.\, Scienc
 e\, 369\, 289\, 2020)\, supercooled water thermodynamics probed with an ab
 -initio deep neural network model (Gartner et al.\, PNAS\, 117\, 26040\, 2
 020)\, and the relationship between the long-range structure of water glas
 ses and criticality (Gartner et al.\, Nature Communications\, 2021). These
  studies are consistent with the existence of a second\, metastable critic
 al point in water.
LOCATION:Zoom: Meeting ID: 960 7975 3507 Passcode: 674325
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