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We investigate the microscopic origin of water's anomalies by inspecting thehydrogen bond network (HBN) and the spatial organization of low-density-liquid(LDL) like and high-density-liquid (HDL) like environments. Specifically, wesimulate --via classical molecular dynamics simulations-- the isobaric coolingof a sample composed by 512 water molecules from ambient to deeply undercooledconditions at three pressures, namely 1 bar, 400 bar and 1000 bar. \emph{Incorrespondence with the Widom line}, (i) the HDL-like dominating clusterundergoes fragmentation caused by the percolation of LDL-like aggregatesfollowing a spinodal-like kinetics; (ii) such fragmentation always occur s at a"critical" concentration of $\sim20-30\%$ in LDL; (iii) the HBN within LDL-likeenvironments is characterized by an equal number of pentagonal and hexagonalrings that create a state of maximal frustration between a configuration thatpromotes crystallization (hexagonal ring) and a configuration that hinders it(pentagonal ring); (iv) the spatial organization of HDL-like environments showsa marked variation. Moreover, the inspection of the global symmetry shows thatthe intermediate-range order decreases in correspondence with the Wid om line,and such decrease becomes more pronounced upon increasing the pressure, hencesupporting the hypothesis of a liquid-liquid critical point. Our results revealand rationalize the complex microscopic origin of water's anomalies as thecooperative effect of several fac tors acting synergistically. Beyondimplications for water, our findings may be extended to other materialsdisplaying anomalous behaviours.

Unravelling the contribution of local structures to the anomalies of water: the synergistic action of several factors