Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes

Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes

August 23, 2001 | Kenichiro Koga, G.T. Gao, Hideki Tanaka, Xiao Cheng Zeng
The article "Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes" by Kenichiro Koga, G. T. Gao, Hideki Tanaka, and Xiao Cheng Zeng explores the behavior of water confined within carbon nanotubes. The study uses molecular dynamics (MD) simulations to investigate the phase behavior of water in carbon nanotubes with diameters ranging from 1.1 nm to 1.4 nm under axial pressures of 50 MPa to 500 MPa. The simulations reveal that water can form hexagonal and heptagonal ice nanotubes through a first-order freezing transition, and continuous phase transformations into solid-like square or pentagonal ice nanotubes. The structural analysis shows that the confined water molecules form quasi-one-dimensional (Q1D) structures, leading to new ice phases not observed in bulk ice. The study also suggests the existence of a solid-liquid critical point, which is a novel feature not present in bulk systems. The findings provide insights into the unique properties of water confined in nanotubes and the potential for investigating dimensionally confined phase transitions.The article "Formation of Ordered Ice Nanotubes Inside Carbon Nanotubes" by Kenichiro Koga, G. T. Gao, Hideki Tanaka, and Xiao Cheng Zeng explores the behavior of water confined within carbon nanotubes. The study uses molecular dynamics (MD) simulations to investigate the phase behavior of water in carbon nanotubes with diameters ranging from 1.1 nm to 1.4 nm under axial pressures of 50 MPa to 500 MPa. The simulations reveal that water can form hexagonal and heptagonal ice nanotubes through a first-order freezing transition, and continuous phase transformations into solid-like square or pentagonal ice nanotubes. The structural analysis shows that the confined water molecules form quasi-one-dimensional (Q1D) structures, leading to new ice phases not observed in bulk ice. The study also suggests the existence of a solid-liquid critical point, which is a novel feature not present in bulk systems. The findings provide insights into the unique properties of water confined in nanotubes and the potential for investigating dimensionally confined phase transitions.
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