Theoretical studies on controlling the crystallization of clathrate materials and on designing the novel crystal/quasicrystal structures
| Project/Area Number |
24550025
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Okayama University |
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Principal Investigator |
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| Project Period (FY) |
2012-04-01 – 2015-03-31
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| Project Status |
Completed (Fiscal Year 2014)
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| Budget Amount *help |
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2012: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | 理論化学 / 物理化学 / 分子動力学シミュレーション / 統計力学理論 / クラスレート化合物 / 相転移と臨界現象 / 核生成・結晶成長 / 準安定相 / 分子シミュレーション / 結晶の安定性 / 結晶構造選択則 / 準結晶 |
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| Outline of Final Research Achievements |
We investigated the intermediate stages toward the phase transition between liquid and solid phases of water. It is found that the melting and crystallization is not that simple, but many intermediate states and structures intervene the initial and final states. For example, in the process that ice melts when it is heated homogeneously, separation of pair defects play the crucial role. Methane bubbles in the dissociation process of methane hydrate, unknown metastable ice phase in the freezing process of ice VII, plastic ice and tricritical phenomena in the melting process of ice VII, are other examples of the newly discovered events in the phase transition processes. We also expand the theory of evaluating the stability of clathrate hydrates more precisely, and also propose a concept of generalized phase diagram to understand the polymorphism of clathrate hydrates.
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Report
(4 results)
Research Products
(34 results)
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[Presentation] Melting Dynamics of Ice2014
Author(s)
M. Matsumoto
Organizer
The Eigth International Conference on 
the Science and Technology for Advanced Ceramics(STAC8),
Place of Presentation
Yokohama (Mielparque Yokohama)
Year and Date
2014-06-26
Related Report
Invited
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