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**Super-cooled and glassy water and liquid-liquid phase transitions: a computer simulation perspective**

H.E. Stanley Department of Physics Boston University, Boston Peter H. Poole Department of Physics St. Francis Xavier University Antigonish, Nova Scotia, Canada

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**Outline of the talk Outline of the talk**

Brief Review of Anomalies and Interpretation models The contribution of Simulation Liquid-Liquid Critical Point: A review of the last 15 years Slow Dynamics Connection to the glass-glass transitions Landscape Interpretation of the thermodynamic anomalies and of the Liquid-Liquid CP Outline of the talk

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**Water Anomalies: Water Anomalies Increasing anomalous on supercooling**

Diverge ? Connections between anomalies ? Water Anomalies

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Dynamic Anomalies Dh/T=const. D tD=const. Dynamic Anomalis

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**The Speedy-Angel proposal**

Reentrant spinodal

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1992:Computer Simulation Approach to the Problem (ST2) The old data

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The ST2 scenario (1992) The ST2 scenario

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TIP5P SPC/E Altri Potenziali

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**Isotherms of pressure vs volume for ST2 water**

ST2 revisited (P. Poole et al preprint) Isotherms of pressure vs volume for ST2 water Cavitation: nucleation of gas bubble in stretched liquid Liquid-liquid phase separation Isotherms

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**Isochores of liquid ST2 water**

HDL LDL New Feature Isochore

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**New Peter data Phase Diag**

HDL = high density liquid LDL = low density liquid liquid liquid + gas TMD LDL HDL HDL+LDL New Peter data Phase Diag

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The 2005 ST2 Phase Diagram The 2005 ST2

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**CONSEGUENZA PER BASSA T**

Two open problems: If there is no reentrant spinodal, why dynamics is anomalous ? If there are two liquids at low T, which are the two corresponding glasses ? CONSEGUENZA PER BASSA T

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Mishima et al.

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PRL Nicolas VHDA-LDA

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**Simulation Study of the**

Slow Dynamic Main Results: TMCT <-----> Ts Activated processes for T<TMCT Strong behavior Dinamica Lenta

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PRL Dinamica Lenta SPC/E

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F. Starr et al PRE 1999 SPC/E diffusion data

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Gamma-b MCT SPC/E

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Torre OKE

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Masciovecchio

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**Transizione Strong Fragile in SPC/E and PWM**

Fragile-to-Strong Cross-Over Transizione Strong Fragile in SPC/E and PWM

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**Landscape Physics of CP**

Landscape EOS for supercooled liquids Landscape Physics of CP

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**Explanation P(T) and sigma^2**

Explanation P(T) e CP

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**SPC/E Landscape Phase Diagram**

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**What can we expect from simulations (in this context!)**

Resolution of the pre-glassy Behavior (Tg glass, Strong/Fragile). Help from primitive models. Study of the phase diagram of polarizable potentials and (later on) CP calculations Detailed comparisons with exp data in confined geometries Conclusions

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**Many thanks to…. Many Thanks BU: Nicolas Giovanbattista, Francis**

Starr, Steve Harrington, Yamada Masako, Stefano Mossa MIT: Sow-Hsin Chen, Paola Gallo Princeton: Pablo De Benedetti Bangalore: Sri Sastry Roma: Emilia La Nave, Piero Tartaglia And, of course, to Giulia Galli for inviting me here ! Many Thanks

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