The Review of High Pressure Science and Technology
Online ISSN : 1348-1940
Print ISSN : 0917-639X
ISSN-L : 0917-639X
Reviews—Progress of High-Pressure Materials Science with Computer—
Simulating Proton Dynamics in High-Pressure Ice
Toshiaki IITAKA
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2013 Volume 23 Issue 2 Pages 124-132

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Abstract
  Proton dynamics in hydrogen-bonded systems, in particular, dissociation and recombination of water molecules are basic processes in many chemical and life systems. In this article, we discuss the pressure dependence of electric conductivity of high-pressure ices VII and X, which may exist in astronomical icy bodies, from the following three viewpoints: (1) molecular dynamics simulation of the hydrogen and oxygen atoms, (2) thermodynamic transport theory of ionic and rotational defects of ice, (3) lattice model of proton hopping.
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© 2013 The Japan Society of High Pressure Science and Technology
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