Molecular dynamics study of the incoherent and coherent contributions to the total dynamic structure factor of molten NaI

被引：8

作者：

Alcaraz, Olga ^{[1
]}

Trullas, Joaquim ^{[1
]}

机构：

[1] Univ Politecn Cataluna, Dept Fis & Engn Nucl, Barcelona 08034, Spain

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2007年 / 136卷 / 03期

关键词：

molecular dynamics simulations; molten salts; dynamic structure factors;

D O I：

10.1016/j.molliq.2007.08.022

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Molecular dynamics simulations of molten NaI have been made using two different models, one having fairly similar ionic sizes, and the other having an anionic radius larger than the cationic one. The incoherent and coherent contributions to the total dynamic structure factor have been analysed in terms of the self, mass, and charge density fluctuations. The corresponding intermediate scattering functions and dynamic structure factors have been calculated for a wide range of wave numbers, from 0.175 angstrom(-1), near the hydrodynamic limit, to 6.1 angstrom(-1), approaching the free particle limit. (c) 2007 Elsevier B.V. All rights reserved.

引用

页码：227 / 235

页数：9

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