| Lattice dynamics study of low energy guest-host coupling in clathrate hydrate |
| |
| 引用本文： | 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 |
| |
| 作者姓名： | 杨岳海 董顺乐 王琳 |
| |
| 作者单位： | Department of Physics, Ocean University of China, Qingdao266100, China;Department of Physics, Ocean University of China, Qingdao266100, China;Department of Physics, Ocean University of China, Qingdao266100, China |
| |
| 基金项目： | Project supported by the NationalNatural Science Foundation of China (Grant No 10474085). |
| |
| 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 ～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： | 点阵动力学 格子水合物 客体-主体耦合 交叉技术 |
| 收稿时间： | 2007-02-24 |
| 修稿时间： | 2007-07-11 |
Lattice dynamics study of low energy guest--host coupling in clathrate hydrate |
| |
| Yang Yue-Hai,Dong Shun-Le and Wang Lin. Lattice dynamics study of low energy guest--host coupling in clathrate hydrate[J]. Chinese Physics B, 2008, 17(1): 270-273 |
| |
| Authors: | Yang Yue-Hai Dong Shun-Le Wang Lin |
| |
| Affiliation: | Department of Physics, Ocean University of China, Qingdao266100, China |
| |
| Abstract: | Our lattice dynamics simulation of Xe-hydrate with four-site TIP4Poxygen-shell model can accurately reproduce each peak position inthe inelastic incoherent neutron scattering spectrum at the acousticband (below 15,meV) and yield correct relative intensity. Based onthe results, the uncertain profile at $sim $6,meV is assigned toanharmonic guest modes coupled strongly to small cages. Blue shiftis proposed in phonon dispersion sheet in the case of anticrossingand found to be an evident signal for guest--host coupling thatexplains the anomalous thermal conductivity of clathrate hydrate. |
| |
| Keywords: | lattice dynamics clathratehydrate guest--host coupling anticrossing |
| 本文献已被 维普 等数据库收录！ |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
|
点击此处可从《中国物理 B》下载免费的PDF全文 |
