| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2017: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2016: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2015: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
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| Outline of Final Research Achievements |
We computationally realized and investigated supercooled hydrogen liquid by a recently developed non-empirical real-time molecular dynamics method, which describes non-spherical hydrogen molecules with the nuclear quantum effects. We demonstrated that the hydrogen supercooled liquid is not a simply cooled liquid but rather exhibits intrinsic structural and dynamical characters including a
precursor of tunneling and superfluidity which neither normal hydrogen liquid nor solid possesses.
In addition, we for the first time performed non-equilibrium molecular dynamics simulations of hydrogen molecules under a temperature gradient taking into account nuclear quantum effects. We found the dynamical ordering of translational and H-H vibrational motions of molecules purely induced by the heat flux despite the little structural ordering, which can be regarded as molecular self-solidification for efficient heat conduction.
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