Lattice dynamics study of low energy guest--host coupling in clathrate hydrate

doi:10.1088/1674-1056/17/1/047

中国物理B ›› 2008, Vol. 17 ›› Issue (1): 270-273.doi: 10.1088/1674-1056/17/1/047

Lattice dynamics study of low energy guest--host coupling in clathrate hydrate

杨岳海, 董顺乐, 王琳

Department of Physics, Ocean University of China, Qingdao 266100, China

出版日期:2008-01-20 发布日期:2008-01-20
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No 10474085).

Lattice dynamics study of low energy guest--host coupling in clathrate hydrate

Yang Yue-Hai(杨岳海)^†, Dong Shun-Le(董顺乐), and Wang Lin(王琳)

Department of Physics, Ocean University of China, Qingdao 266100, China

Online:2008-01-20 Published:2008-01-20
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No 10474085).

摘要/Abstract

摘要： Our lattice dynamics simulation of Xe-hydrate with four-site TIP4P oxygen-shell model can accurately reproduce each peak position in the inelastic incoherent neutron scattering spectrum at the acoustic band (below 15\,meV) and yield correct relative intensity. Based on the results, the uncertain profile at $\sim $6\,meV is assigned to anharmonic guest modes coupled strongly to small cages. Blue shift is proposed in phonon dispersion sheet in the case of anticrossing and found to be an evident signal for guest--host coupling that explains the anomalous thermal conductivity of clathrate hydrate.

关键词: lattice dynamics, clathrate hydrate, guest--host coupling, anticrossing

Abstract: Our lattice dynamics simulation of Xe-hydrate with four-site TIP4P oxygen-shell model can accurately reproduce each peak position in the inelastic incoherent neutron scattering spectrum at the acoustic band (below 15 meV) and yield correct relative intensity. Based on the results, the uncertain profile at $\sim $6 meV is assigned to anharmonic guest modes coupled strongly to small cages. Blue shift is proposed in phonon dispersion sheet in the case of anticrossing and found to be an evident signal for guest--host coupling that explains the anomalous thermal conductivity of clathrate hydrate.

Key words: lattice dynamics, clathrate hydrate, guest--host coupling, anticrossing

中图分类号: (Vibrational states in disordered systems)

63.50.-x

66.25.+g (Thermal conduction in nonmetallic liquids)

杨岳海, 董顺乐, 王琳. Lattice dynamics study of low energy guest--host coupling in clathrate hydrate[J]. 中国物理B, 2008, 17(1): 270-273.

Yang Yue-Hai(杨岳海), Dong Shun-Le(董顺乐), and Wang Lin(王琳). Lattice dynamics study of low energy guest--host coupling in clathrate hydrate[J]. Chin. Phys. B, 2008, 17(1): 270-273.

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Lattice dynamics study of low energy guest--host coupling in clathrate hydrate

Lattice dynamics study of low energy guest--host coupling in clathrate hydrate

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