RT Journal Article
T1 Hydrogen bond correlated percolation in a supercooled water monolayer as a hallmark of the critical region
A1 Bianco, Valentino
A1 Franzese, Giancarlo
AB Numerical simulations for a number of water models have supported the possibility of a metastable liquid-liquid critical point (LLCP) in the deep supercooled region. Here we consider a theoretical model for a supercooled liquid water monolayer and its mathematical mapping onto a percolation problem. The mapping allows us to identify the finite-size clusters at any state-point, and the infinite cluster at the critical point, with the regions of correlated hydrogen bonds (HBs). We show that the percolation line coincides with the first-order liquid-liquid phase transition ending at the LLCP. At pressures below the LLCP, the percolation line corresponds to the strong maxima of the thermodynamic response functions and to the locus of maximum correlation length (Widom line). At higher pressures, we find a percolation transition with a positive slope and we discuss its possible relation with the thermodynamics.
PB Elsevier
SN 0167-7322
YR 2019
FD 2019
LK https://hdl.handle.net/20.500.14352/13643
UL https://hdl.handle.net/20.500.14352/13643
LA eng
NO Unión Europea. H2020
NO Ministerio de Economía y Competitividad (MINECO)
NO FWF Austrian Agency
NO Generalitat de Catalunya
DS Docta Complutense
RD 21 abr 2025