title: Enhanced Configurational Entropy in High-Density Nanoconfined Bilayer Ice.
abstract: A novel kind of crystal order in high-density nanoconfined bilayer ice is proposed from molecular dynamics and density-functional theory simulations. A first-order transition is observed between a low-temperature proton-ordered solid and a high-temperature proton-disordered solid. The latter is shown to possess crystalline order for the oxygen positions, arranged on a close-packed triangular lattice with AA stacking. Uniquely among the ice phases, the triangular bilayer is characterized by two levels of disorder (for the bonding network and for the protons) which results in a configurational entropy twice that of bulk ice.
authors.affiliation: CIC nanoGUNE, 20018 Donostia-San Sebastián, Spain.|Department of Materials and the Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, London SW7 2AZ, United Kingdom.
authors.forename: Fabiano
authors.initials: F
authors.lastname: Corsetti
authors.affiliation: CIC nanoGUNE, 20018 Donostia-San Sebastián, Spain.
authors.forename: Jon
authors.initials: J
authors.lastname: Zubeltzu
authors.affiliation: CIC nanoGUNE, 20018 Donostia-San Sebastián, Spain.|Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE, United Kingdom.|Basque Foundation for Science Ikerbasque, 48011 Bilbao, Spain.|Donostia International Physics Center, 20018 Donostia-San Sebastián, Spain.
authors.forename: Emilio
authors.initials: E
authors.lastname: Artacho