TY - JOUR
T1 - Molecular dynamics studies of molecular diffusion in ice Ih
AU - Ikeda-Fukazawa, Tomoko
AU - Horikawa, Shinichiro
AU - Hondoh, Takeo
AU - Kawamura, Katsuyuki
N1 - Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2002/8/22
Y1 - 2002/8/22
N2 - The diffusion hops of interstitial He and H2O in ice were discussed using molecular dynamics simulations. It was found that there was a strong coupling between localized translational vibrations of the interstitial H2O and lattice vibrations. The analysis showed that the localized vibrational motion of the interstitial molecule was one of the dominant factors which governed the diffusion mechanism of the molecule in the ice crystal.
AB - The diffusion hops of interstitial He and H2O in ice were discussed using molecular dynamics simulations. It was found that there was a strong coupling between localized translational vibrations of the interstitial H2O and lattice vibrations. The analysis showed that the localized vibrational motion of the interstitial molecule was one of the dominant factors which governed the diffusion mechanism of the molecule in the ice crystal.
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U2 - 10.1063/1.1495844
DO - 10.1063/1.1495844
M3 - Article
AN - SCOPUS:0037158576
SN - 0021-9606
VL - 117
SP - 3886
EP - 3896
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 8
ER -