Ice XV: a new thermodynamically stable phase of ice
arXiv:0906.2489 · doi:10.1103/PhysRevLett.103.105701
Abstract
A new phase of ice, named ice XV, has been identified and its structure determined by neutron diffraction. Ice XV is the hydrogen-ordered counterpart of ice VI and is thermodynamically stable at temperatures below ~130 K in the 0.8 to 1.5 GPa pressure range. The regions of stability in the medium pressure range of the phase diagram have thus been finally mapped, with only hydrogen-ordered phases stable at 0 K. The ordered ice XV structure is antiferroelectric, in clear disagreement with recent theoretical calculations predicting ferroelectric ordering.
Cited by in corpus (28)
- Perspective: How good is DFT for water?
- Ice structures, patterns, and processes: A view across the ice-fields
- The Phase Diagram of a Deep Potential Water Model
- On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice
- Hydrogen bonds and van der Waals forces in ice at ambient and high pressures
- Advances in the experimental exploration of water's phase diagram
- On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures
- New Phases of Water Ice Predicted at Megabar Pressures
- Decomposition and terapascal phases of water ice
- New ultrahigh pressure phases of H2O ice predicted using an adaptive genetic algorithm
- The random phase approximation applied to ice
- Enhanced configurational entropy in high-density nanoconfined bilayer ice
- The phase diagram of water from quantum simulations
- Experimental evidence for a second hydrogen ordered phase of ice VI
- The complex kinetics of the ice VI to ice XV hydrogen ordering phase transition
- Ground-State Structures of Ice at High-Pressures
- Detailed crystallographic analysis of the ice VI to ice XV hydrogen ordering phase transition
- DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory
- Vibrational Features of Water at the Low-Density/High-Density Liquid Structural Transformations
- First principles molecular dynamics study of filled ice hydrogen hydrate
- Ephemeral ice-like local environments in classical rigid models of liquid water
- Novel hydrogen clathrate hydrate
- Benchmarking acid and base dopants with respect to enabling the ice V to XIII and ice VI to XV hydrogen-ordering phase transitions
- The phase diagram of ice: a quasi-harmonic study based on a flexible water model
- Hydrogen Polarity of Interfacial Water Regulates Heterogeneous Ice Nucleation
- d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations
- Optical absorption spectroscopy probes water wire and its ordering in a hydrogen-bond network
- Vanishing linear term in chemical potential difference in volume term of work of critical nucleus formation for phase transition without volume change