First principles molecular dynamics study of filled ice hydrogen hydrate

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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Bibliographic Details
Main Authors: Zhang, Jingyun, Kuo, Jer-Lai, Iitaka, Toshiaki
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2014
Subjects:
DRNTU::Science::Chemistry::Analytical chemistry::Gas analysis
Online Access:https://hdl.handle.net/10356/101769
http://hdl.handle.net/10220/18805
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Institution: Nanyang Technological University
Language: English

Internet

https://hdl.handle.net/10356/101769
http://hdl.handle.net/10220/18805

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