Structure of Liquid Metals
作者:
KandadaiN. Swamy,
期刊:
Physics and Chemistry of Liquids
(Taylor Available online 1986)
卷期:
Volume 15,
issue 4
页码: 309-322
ISSN:0031-9104
年代: 1986
DOI:10.1080/00319108608078492
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The structure factors and radial distribution functions of liquid sodium and aluminium were calculated using the Hypernetted chain equation and the Machin-Woodhead-Chihara (MWC) integral equation. Various oscillatory potentials suggested for these metals were considered in an attempt to determine the applicability of these integral equations for these potentials. The calculated results are compared with molecular dynamic simulation results. These results indicate that the HNC equation underestimates the main peak inS(k). When the Friedel oscillations are absent then MWC theory gives good results forS(k). But when Friedel oscillations are present then MWC equation reproduces simulation results beyond the main diffraction peak.
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