First principles molecular dynamics study of filled ice hydrogen hydrate
We investigated structural changes, phase diagram, and vibrational properties of hydrogen hydrate in filled-ice phase C2 by using first principles molecular dynamics simulation. It was found that the experimentally reported “cubic” structure is unstable at low temperature and/or high pressure: The “...
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| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | English |
| Published: |
2014
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| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/101769 http://hdl.handle.net/10220/18805 |
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| Institution: | Nanyang Technological University |
| Language: | English |