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Melting the ice: on the relation between melting temperature and size for nanoscale ice crystals
 

Summary: Melting the ice: on the relation between melting
temperature and size for nanoscale ice crystals
Ding Pan, Li-Min Liu, Ben Slater,¶ Angelos Michaelides,, and Enge Wang§
Institute of Physics, Chinese Academy of Sciences, P.O. Box 603, Beijing 100190, P. R. China,
London Centre for Nanotechnology, University College London, London WC1H 0AJ, UK,
Department of Chemistry, University College London, London WC1H 0AJ, UK, and School of
Physics, Peking University, Beijing 100871, P. R. China
E-mail: angelos.michaelides@ucl.ac.uk
Abstract
Although the melting of ice is an everyday process, important issues remain unclear partic-
ularly on the nanoscale. Indeed despite extensive studies into ice melting and pre-melting, little
is known about the relationship between (pre-)melting and crystal size and morphology, with
e.g. the melting temperature of ice nanocrystals being unclear. Here we report extensive long-
time forcefield based molecular dynamics studies of the melting of hexagonal ice nanocrystals
in the ca. 2 to 8 nanometer size range. We show that pre-melting is initiated at the corners of the
crystals, then the edges between facets, and then the flat surfaces, i.e., the melting temperature
is related to the degree of coordination. A strong size dependance of the melting temperature
is observed, with the combination of small particle size and pre-melting leading nano-sized ice
To whom correspondence should be addressed
Institute of Physics

  

Source: Alavi, Ali - Department of Chemistry, University of Cambridge

 

Collections: Chemistry