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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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