Elastic moduli and absolute stability limits of clathrate hydrates of structure I at positive and negative pressures

Vladimir R. Belosludov, Talgat M. Inerbaev, Natalya D. Luzhkovskaya, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The behavior of clathrate hydrate of structure I with and without enclathrated methane and xenon guests has been investigated at high pressure and wide temperature range using the quasiharmonic lattice dynamics approach up to absolute stability limits. The mechanical stability boundaries of the clathrate hydrate of structure I have been determined from the Born stability criteria via the calculations of the elastic constants at positive and negative pressures. For comparison the spinodals of the clathrate hydrates are calculated. It is found that in spite of weakness of interaction the enclathrated guests with host lattice the guest molecules contribute greatly to the stability of the hydrate framework structure.

Original languageEnglish
Pages (from-to)2194-2200
Number of pages7
JournalMaterials Transactions
Volume42
Issue number11
DOIs
Publication statusPublished - 2001 Nov

Keywords

  • Clathrate hydrate
  • Elastic constants
  • Lattice dynamics
  • Mechanical stability
  • Spinodals

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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