Reversible structure transformation in ice nanocluster

Water freezes to ice by cooling. Once ice is formed, the phase does not change unless heated over the melting point. This is a familiar phenomenon observed in our everyday life. Here, we demonstrate non-bulk-like behavior of nanosized ice by molecular-dynamics simulation using the TIP4P potential. O...

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Bibliographic Details
Published in:The Journal of chemical physics 2009-04, Vol.130 (15), p.154302-154302-5
Main Authors: Nishio, Kengo, Mikami, Masuhiro
Format: Article
Language:English
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Summary:Water freezes to ice by cooling. Once ice is formed, the phase does not change unless heated over the melting point. This is a familiar phenomenon observed in our everyday life. Here, we demonstrate non-bulk-like behavior of nanosized ice by molecular-dynamics simulation using the TIP4P potential. Our 100   μ s simulations reveal that the structure of the ( H 2 O ) 20 nanocluster reversibly changes and a variety of solidlike phases, such as bilayer structures composed of three pentagonal prisms, square and pentagonal ice nanotubes, and stuffed-fullerenelike ( H 2 O ) @ ( H 2 O ) 19 structures, dynamically coexists even at 52% of the bulk melting point.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.3116785