Ferroelectricity of Ice Nanotubes inside Carbon Nanotubes

Abstract

We report that ice nanotubes with odd number of side faces inside carbon nanotubes exhibit spontaneous electric polarization along its axes direction by using molecular dynamics simulations. The mechanism of this nanoscale quasi-one-dimensional ferroelectricity is due to low dimensional confinement and the orientational order of hydrogen bonds. These ferroelectric fiber structural materials are different from traditional perovskite structural bulk materials.

4 pages and 4 figures

References in corpus (3)

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• Efficient index handling of multidimensional periodic boundary conditions
• Anomalous heat conduction in a carbon nanowire: Molecular dynamics calculations

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• Experimental evidence of the ferroelectric phase transition near the $\lambda -$point in liquid water
• On the increase of the melting temperature of water confined in one-dimensional nano-cavities
• Path integral Monte Carlo in a discrete variable representation with Gibbs sampling: dipolar planar rotor chain