FIRST-PRINCIPLES STUDY ON MECHANICAL PROPERTIES OF CH4 HYDRATE

Description

The structural and mechanical properties of s-I methane hydrate have been investigated by first
principles calculations. For the first time, the fully elastic constant tensor of s-I methane hydrate
is obtained entirely ab-initio. The calculated lattice parameter, bulk modulus, and elastic
constants were found to be in good agreement with experimental data at ambient pressure. The
Young modulus, Poisson ratio and bulk sound velocities are estimated from the calculated
elastic constants and compared with wave speed measurements available.

Links & Downloads

1. Miranda, Caetano R.; Matsuoka, Toshifumi. 2008. FIRST-PRINCIPLES STUDY ON MECHANICAL PROPERTIES OF CH4 HYDRATE. Proceedings of the 6th International Conference on Gas Hydrates (ICGH 2008), Vancouver, British Columbia, CANADA, July 6-10, 2008.
2. http://hdl.handle.net/2429/1068

Tags

Mechanical properties

lattice parameter

Bulk modulus

Elastic constants

Methane hydrate

First-principles calculations

ICGH

International Conference on Gas Hydrates

Additional Fields

Identifer	oai:union.ndltd.org:LACETR/oai:collectionscanada.gc.ca:BVAU.2429/1068
Date	07 1900
Creators	Miranda, Caetano R., Matsuoka, Toshifumi
Source Sets	Library and Archives Canada ETDs Repository / Centre d'archives des thèses électroniques de Bibliothèque et Archives Canada
Language	English
Detected Language	English
Type	text
Rights	Miranda, Caetano R.