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

doi:10.2320/matertrans.42.2194

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

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	2194-2200
Number of pages	7
Journal	Materials Transactions
Volume	42
Issue number	11
DOIs	https://doi.org/10.2320/matertrans.42.2194
Publication status	Published - 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

Access to Document

10.2320/matertrans.42.2194

Cite this

@article{0d03fc367fff44c083472fb1ef1d9a37,

title = "Elastic moduli and absolute stability limits of clathrate hydrates of structure I at positive and negative pressures",

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.",

keywords = "Clathrate hydrate, Elastic constants, Lattice dynamics, Mechanical stability, Spinodals",

author = "Belosludov, {Vladimir R.} and Inerbaev, {Talgat M.} and Luzhkovskaya, {Natalya D.} and Yoshiyuki Kawazoe",

year = "2001",

month = nov,

doi = "10.2320/matertrans.42.2194",

language = "English",

volume = "42",

pages = "2194--2200",

journal = "Materials Transactions",

issn = "1345-9678",

publisher = "Japan Institute of Metals (JIM)",

number = "11",

}

TY - JOUR

T1 - Elastic moduli and absolute stability limits of clathrate hydrates of structure I at positive and negative pressures

AU - Belosludov, Vladimir R.

AU - Inerbaev, Talgat M.

AU - Luzhkovskaya, Natalya D.

AU - Kawazoe, Yoshiyuki

PY - 2001/11

Y1 - 2001/11

N2 - 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.

AB - 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.

KW - Clathrate hydrate

KW - Elastic constants

KW - Lattice dynamics

KW - Mechanical stability

KW - Spinodals

UR - http://www.scopus.com/inward/record.url?scp=0035519013&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035519013&partnerID=8YFLogxK

U2 - 10.2320/matertrans.42.2194

DO - 10.2320/matertrans.42.2194

M3 - Article

AN - SCOPUS:0035519013

SN - 1345-9678

VL - 42

SP - 2194

EP - 2200

JO - Materials Transactions

JF - Materials Transactions

IS - 11

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this