Theory of amorphous ices

Abstract

We derive a phase diagram for amorphous solids and liquid supercooled water and explain why the amorphous solids of water exist in several different forms. Application of large-deviation theory allows us to prepare such phases in computer simulations. Along with nonequilibrium transitions between the ergodic liquid and two distinct amorphous solids, we establish coexistence between these two amorphous solids. The phase diagram we predict includes a nonequilibrium triple point where two amorphous phases and the liquid coexist. While the amorphous solids are long-lived and slowly-aging glasses, their melting can lead quickly to the formation of crystalline ice. Further, melting of the higher density amorphous solid at low pressures takes place in steps, transitioning to the lower density glass before accessing a nonequilibrium liquid from which ice coarsens.

revision following review comments

References in corpus (10)

• The large deviation approach to statistical mechanics
• First-order dynamical phase transition in models of glasses: an approach based on ensembles of histories
• The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water, Part II
• Nature of the anomalies in the supercooled liquid state of the mW model of water
• Free energy surface of ST2 water near the liquid-liquid phase transition
• Finite-temperature critical point of a glass transition
• Calorimetric glass transition explained by hierarchical dynamic facilitation
• Corresponding states for mesostructure and dynamics of supercooled water
• Using the s-Ensemble to Probe Glasses Formed by Cooling and Aging
• The length and time scales of water's glass transitions

Cited by in corpus (24)

• Ice is Born in Low-Mobility Regions of Supercooled Liquid Water
• Finite-Size Scaling of a First-Order Dynamical Phase Transition: Adaptive Population Dynamics and an Effective Model
• Premelting, fluctuations and coarse-graining of water-ice interfaces
• Structural and configurational properties of nanoconfined monolayer ice from first principles
• How dissipation constrains fluctuations in nonequilibrium liquids: Diffusion, structure and biased interactions
• Importance sampling large deviations in nonequilibrium steady states. I
• Universality in dynamical phase transitions of diffusive systems
• Potential Energy Landscape of the Apparent First-Order Phase Transition between Low-Density and High-Density Amorphous Ice
• Nonlinear transport coefficients from large deviation functions
• Manifestations of metastable criticality in the long-range structure of model water glasses
• Transport Coefficients from Large Deviation Functions
• A large deviation theory perspective on nanoscale transport phenomena
• From fifty years ago, the birth of modern liquid-state science
• Using the s-Ensemble to Probe Glasses Formed by Cooling and Aging
• High-density liquid (HDL) adsorption at the supercooled water/vapor interface and its possible relation to the second surface tension inflection point
• Solvation in Space-Time: Pre-transition Effects in Trajectory Space
• Rate constants in spatially inhomogeneous systems
• The optical loss study of molecular layer for a cryogenic interferometric gravitational-wave detector
• Euclid preparation. XXIX. Water ice in spacecraft part I: The physics of ice formation and contamination
• The length and time scales of water's glass transitions
• Dynamical instability causes the demise of a supercooled tetrahedral liquid
• Large-time asymptotic of heavy tailed renewal processes
• Breakdown of the Finite-Time and -Population Scalings of the Large Deviation Function in the Large-Size Limit of a Contact Process
• Anomalous fluctuations of renewal-reward processes with heavy-tailed distributions