title: Multiwalled ice helixes and ice nanotubes.
abstract: We report six phases of high-density nano-ice predicted to form within carbon nanotubes (CNTs) at high pressure. High-density nano-ice self-assembled within smaller-diameter CNT (17,0) exhibits a double-walled helical structure where the outer wall consists of four double-stranded helixes, which resemble a DNA double helix, and the inner wall is a quadruple-stranded helix. Four other double-walled nano-ices, self-assembled respectively in two larger-diameter CNTs (20,0 and 22,0), display tubular structure. Within CNT (24,0), the confined water can freeze spontaneously into a triple-walled helical nano-ice where the outer wall is an 18-stranded helix and the middle and inner walls are hextuple-stranded helixes.
authors.affiliation: Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, NE 68588, USA.
authors.forename: Jaeil
authors.initials: J
authors.lastname: Bai
authors.forename: Jun
authors.initials: J
authors.lastname: Wang
authors.forename: X C
authors.initials: XC
authors.lastname: Zeng
mesh_terms: D003198:Computer Simulation; D007053:Ice; D008958:Models, Molecular; D008968:Molecular Conformation; D043942:Nanotubes / Q000737:chemistry*
chemical_list: D007053:Ice