Liquid to quasicrystal transition in bilayer water

作者: Jessica C. Johnston , Noah Kastelowitz , Valeria Molinero

DOI: 10.1063/1.3499323

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摘要: The phase behavior of confined water is a topic intense and current interest due to its relevance in biology, geology, materials science. Nevertheless, little known about the phases that forms even when simplest geometries, such as between parallel surfaces. Here we use molecular dynamics simulations compute diagram two layers non hydrogen bonding walls. This study shows bilayer dodecagonal quasicrystal, well previously unreported crystals, one tiled exclusively by pentagonal rings. Quasicrystals, structures with long-range order but without periodicity, have never before been reported for water. quasicrystal obtained from liquid through reversible first-order transition has diffusivity intermediate ice phases. polymorphs based on pentagons are stabilized compression not templated confining surfaces, which smooth. demonstrates these novel intrinsically favored suggests could be relevant only also wetting properties at interfaces.

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