Budget Amount *help |
¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000)
Fiscal Year 2015: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2013: ¥7,670,000 (Direct Cost: ¥5,900,000、Indirect Cost: ¥1,770,000)
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Outline of Final Research Achievements |
We have calculated various thermal properties of ices including ice XVI such as the negative thermal expansivity. It is also found a possible mechanism for contraction of ice upon accommodation of guest spaces and disappearance of the negative thermal expansivity. Large scale molecular dynamics simulations, which are much closer to laboratory conditions, have been performed to investigate a dissociation mechanism of methane clathrate hydrate. A large and a long time molecular dynamics simulation reveals that a plastic phase of water transforms to ice VII via second order phase transition in high temperature and pressure condition, whereby a critical line replaces the usual phase boundary of first order.
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