| Critical Pressure of the Structure I Empty Gas Hydrate |
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| 作者姓名： | 程伟 周宏余 |
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| 作者单位： | [1]KeylaboratoryinUniversityforRadiationnBeamTechnologyandMaterialsModification,InstituteofLowEnergyNuclearPhysics,BeijingNormalUniversity,Beijing100875 [2]KeylaboratoryinUniversityfo,InstituteofLowEnergyNuclearPhysics,BeijingNormalUniversity,Beijing100875 |
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| 摘 要： | A 368 water molecule structure I empty gas hydrate with possible minimum energy are calculated under high pressures by using TIP4P potential molecular dynamical simulations.Thermodynamical properties are analysed.Radial Distribution function and phonon density of states shows that there is a phase transition to high-density ice at low temperature.
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| 关 键 词： | 多组分结晶化合物 GHs 临界压强 |
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