|
|||||
|
|
Hydrogen mean force and anharmonicity in polycrystalline and amorphous ice |
|
| Authors: | A Parmentier C Andreani G Romanelli J J Shephard C G Salzmann R Senesi |
| Institution: | 1.Università degli Studi di Roma Tor Vergata, Dipartimento di Fisica e Centro NAST,Roma,Italy;2.CNR-IPCF Sezione di Messina,Messina,Italy;3.ISIS Facility,Rutherford Appleton Laboratory,Chilton, Didcot, Oxfordshire,UK;4.University College London, Dept. of Chemistry,London,UK;5.Department of Chemistry,Durham University,Durham,UK |
| Abstract: | The hydrogen mean force from experimental neutron Compton profiles is derived using deep inelastic neutron scattering on amorphous and polycrystalline ice. The formalism of mean force is extended to probe its sensitivity to anharmonicity in the hydrogen-nucleus effective potential. The shape of the mean force for amorphous and polycrystalline ice is primarily determined by the anisotropy of the underlying quasi-harmonic effective potential. The data from amorphous ice show an additional curvature reflecting the more pronounced anharmonicity of the effective potential with respect to that of ice Ih. |
| Keywords: | potential of mean force neutron Compton profile nuclear quantum effects path integral representation anharmonicity |
| 本文献已被 SpringerLink 等数据库收录！ | |
| 点击此处可从《Frontiers of Physics》浏览原始摘要信息 | |
| 点击此处可从《Frontiers of Physics》下载免费的PDF全文 | |