Microscopical Structural features of Liquid Antimony Near Melting Temperature

Liquid antimony near the melting temperature has an unusual structure characterized by a shoulder in the radial distribution function and the static structure factor. There is a point of view that stable structures are realized in antimony melt, which are clusters or dimers. However, the stability o...

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Bibliographic Details
Published inHigh energy chemistry Vol. 57; no. Suppl 1; pp. S243 - S246
Main Authors Tsygankov, A. A., Galimzyanov, B. N., Mokshin, A. V.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.10.2023
Springer Nature B.V
Subjects
Antimony
Chemistry
Chemistry and Materials Science
Dimers
Distribution functions
Melt temperature
Melting
Molecular dynamics
Physical Chemistry
Radial distribution
Relaxation time
Structural stability
Structure factor
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Summary:Liquid antimony near the melting temperature has an unusual structure characterized by a shoulder in the radial distribution function and the static structure factor. There is a point of view that stable structures are realized in antimony melt, which are clusters or dimers. However, the stability of these structures has not been previously studied. In the present study, ab-initio molecular dynamics simulations of liquid antimony were performed at a temperature corresponding to the liquid state near the melting temperature and at atmospheric pressure. The local structure of liquid antimony was investigated and the distribution of neighborhood times of atom pairs on different spatial scales was calculated. It was found that liquid antimony contains structural formations in the form of quasi-stable dimers, whose lifetime is longer than the structural relaxation time of the liquid.
ISSN:0018-1439
1608-3148
DOI:10.1134/S0018143923070561