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Continuous melting through a hexatic phase in confined bilayer water
Jon Zubeltzu1, Fabiano Corsetti1,2, M V Fernández-Serra3
1CIC nanoGUNE, 20018 Donostia-San Sebastián, Spain.
Physical Review. E
|July 15, 2016
Summary
Nanoconfined water exhibits unique melting behaviors, with distinct phase changes for oxygen and hydrogen atoms. This study reveals an intermediate hexatic phase, simplifying water
Area of Science:
- Physical Chemistry
- Materials Science
- Biophysics
Background:
- Liquid water exhibits anomalies challenging current understanding.
- Nanoconfined water, found within biological cells, can differ significantly from bulk water.
- Previous simulations indicated density-dependent continuous or discontinuous melting in 2D confined water.
Purpose of the Study:
- To analyze the melting behavior of a bilayer of nanoconfined water.
- To understand the density-dependent melting transitions observed in confined water systems.
- To investigate the structural dynamics and phase transitions of water at the nanoscale.
Main Methods:
- Molecular dynamics simulations were employed to model a bilayer of nanoconfined water.
- Analysis focused on the phase changes of oxygen and hydrogen atoms within the water layers.
- The study applied the Kosterlitz-Thouless-Halperin-Nelson-Young theory for two-dimensional melting.
Main Results:
- At high densities, continuous melting was observed, primarily involving the phase change of oxygen atoms while hydrogens remained liquidlike.
- An intermediate hexatic phase for oxygen atoms was identified between the liquid and triangular solid ice phases.
- The two water layers showed strong correlations and slow matter exchange, with the liquid maintaining local triangular ice structure.
Conclusions:
- The decoupling of oxygen and hydrogen behavior simplifies the complexity of nanoconfined water, resembling a monoatomic liquid.
- The observed phenomena offer insights into novel behaviors in other confined and interfacial water systems.
- The findings contribute to a deeper understanding of water's unique properties under spatial confinement.
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