Spatial structure in low-temperature amorphous phases of water [article]

Peter G. Kusalik, I.M. Svishchev, University Of Calgary, University Of Calgary
The spatial (local) structure in liquid water at ambient conditions has been recently determined in computer simulation and neutron diffraction studies using the spatial distribution functions between atoms. The spatial distribution functions of oxygen atoms are analyzed for the low-temperature amorphous phases of water obtained in MD simulations with the T1P4P potential. These structural data reveal the important role played by the nontetrahedral, interstitial coordination of H 2 0 molecules in phase transitions of low-temperature water.
doi:10.11575/prism/35388 fatcat:nswujg65yrcebeozbxhqoovita