Phase behaviour of metastable water

  title={Phase behaviour of metastable water},
  author={Peter H. Poole and Francesco Sciortino and Ulrich Essmann and Harry Eugene Stanley},
THE metastable extension of the phase diagram of liquid water exhibits rich features that manifest themselves in the equilibrium properties of water. For example, the density maximum at 4 °C and the minimum in the isothermal compressibility at 46 °C are thought to reflect the presence of singularities in the behaviour of thermodynamic quantities occurring in the supercooled region1 2. The 'stability–limit conjecture'3–5 suggests that these thermodynamic anomalies arise from a single limit of… Expand
A self-consistent phase diagram for supercooled water
MANY of the low-temperature thermodynamic properties of water, such as heat capacity and isothermal compressibility, exhibit anomalous behaviour that tends to diverge in the supercooled state1,2. OnExpand
Novel Features in the Equation of State of Metastable Water
The thermodynamic properties of two commonly used water pair-potentials, ST2 and TIP4P, are calculated from molecular dynamics simulations. In particular, the properties of supercooled and stretchedExpand
Behavior of supercooled aqueous solutions stemming from hidden liquid-liquid transition in water.
The non-conserved nature of the order parameter and the consequences of its coupling with conserved properties are elucidated and it is shown how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases. Expand
The existence of supercooled liquid water at 150 K
Supercooled water may offer clues to the anomalous properties of its normal liquid state. The supercooled state also shows anomalous thermodynamic and transport properties at low temperatures,,.Expand
Decompression-induced melting of ice IV and the liquid–liquid transition in water
Although liquid water has been the focus of intensive research for over 100 years, a coherent physical picture that unifies all of the known anomalies of this liquid, is still lacking. Some of theseExpand
Is there a second critical point in liquid water
The supercooled and stretched regions of the phase diagram of simulated liquid water are investigated by calculating the equation of state of the ST2 and TIP4P pair-potentials. We find that simulatedExpand
Limits of stability of the liquid phase in a lattice model with water‐like properties
Explicit study of the hydrogen bond network in water offers a microscopic approach to understanding the anomalous properties of water, while an alternate, thermodynamic approach is offered by theExpand
Propagation of the polyamorphic transition of ice and the liquid–liquid critical point
These findings strongly suggest that the polyamorphic ice transition is discontinuous; a continuous transformation should occur uniformly over the entire sample, and imply that the liquids transform discontinuously at low temperatures and thus support the liquid–liquid critical-point theory. Expand
Metastable liquid–liquid transition in a molecular model of water
It is shown that two metastable liquid phases and a stable crystal phase exist at the same deeply supercooled thermodynamic condition, and that the transition between the two liquids satisfies the thermodynamic criteria of a first-order transition. Expand
Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water.
The results suggest the presence of a liquid-liquid critical point and are consistent with the existence of a LLPT in this model for the simulated length and time scales, and are compared with other popular water-like models, namely, mW and ST2, and with real water, all of which are well described by two-state thermodynamics. Expand


Anomalies of Liquid Water
Water at low temperatures (T < 300 K) reveals a multitude of unusual physico-chemical properties, which originate from the strong directivity of the hydrogen bonds. This directivity forces theExpand
Isothermal compressibility of supercooled water and evidence for a thermodynamic singularity at −45°C
Using a capillary technique for small samples, the isothermal compressibility κ T of water has been measured to −26°C. Accelerating increases of κ T at the lower temperatures can be described by anExpand
Entropy of amorphous ice
THE configurational entropies of amorphous solids reflect certain aspects of their structures, in particular the numbers of accessible molecular configurations. The configurational entropy ofExpand
Stability and tensile strength of liquids exhibiting density maxima
If a given liquid exhibits a density maximum anywhere in its phase diagram, thermodynamic consistency dictates that such a point cannot be isolated: a density maxima locus must necessarily exist. ForExpand
On the nature of the tensile instability in metastable liquids and its relationship to density anomalies
Tensile instability is a hitherto unexplained phenomenon whereby a metastable liquid loses tensile strength as the temperature is reduced in the vicinity of its triple point. The thermodynamicallyExpand
An apparently first-order transition between two amorphous phases of ice induced by pressure
We recently reported1 a transition from ice Ih to a high-density amorphous phase at 10 kbar, 77 K. Here we report that low-density amorphous ice (density 0.94 g cm−3) compressed at 77 K transforms toExpand
Evidence for a new phase of water: water II
Unstable glassy solid forms of water can be made by vapor deposition or by splat quenching the liquid. When they are annealed at about 130 K, both of the amorphous solids evidently relax into theExpand
Effect of defects on molecular mobility in liquid water
LIQUID water is a totally connected random network of hydrogen bonds, the connectivity lying well above the percolation threshold1–3 But despite this extensive association of hydrogen bonds withExpand
‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solids
Amorphous solids are made mainly by cooling the liquid below the glass transition without crystallizing it, a method used since before recorded history1, and by depositing the vapour onto a coldExpand
Interpretation of the unusual behavior of H2O and D2O at low temperatures: Tests of a percolation model
The unusual low‐temperature behavior of liquid water is interpreted using a simple model based upon connectivity concepts from correlated‐site percolation theory. Emphasis is placed on examining theExpand