SINGLE-PARTICLE DYNAMICS OF LIQUID CCL4 - A COMPARISON OF MOLECULAR-DYNAMICS AND NEUTRON QUASI-ELASTIC SCATTERING RESULTS

被引:15
作者
CHAHID, A
BERMEJO, FJ
ENCISO, E
HERNANDEZ, MG
MARTINEZ, JL
机构
[1] UNIV COMPLUTENSE MADRID,DEPT QUIM FIS,E-28040 MADRID,SPAIN
[2] INST MAX VON LAUE PAUL LANGEVIN,F-38042 GRENOBLE,FRANCE
关键词
D O I
10.1088/0953-8984/4/5/002
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The molecular translation and rotational motions of liquid CCl4 are studied by means of the concurrent use of computer molecular dynamics simulations as well as neutron quasi-elastic scattering. The relevant correlation functions have been analysed in terms of simple analytical models and the total spectra are compared with the measured ones. The data confirms the substantial departure from simple rotational or diffusion behaviour encountered in a previous work.
引用
收藏
页码:1213 / 1231
页数:19
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