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| VOLUME 103 (2016) | ISSUE 6 | PAGE 438 |
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Pade spectroscopy of structural correlation functions: application to liquid gallium1)
N. M. Chtchelkatcheva,b, B. A. Klumova,c,d, R. E. Ryltseva,e,f, R. M. Khusnutdinoffa,g, A. V. Mokshina,g
aLandau Institute for Theoretical Physics RAS, 142432 Chernogolovka, Russia bMoscow Institute of Physics and Technology, 141700 Moscow, Russia cJoint Institute for High Temperatures of the RAS, 125412 Moscow, Russia dAix-Marseille-Université, CNRS, Laboratoire PIIM, UMR 7345, 13397 Marseille, France eInstitute of Metallurgy UB of the RAS, 620016 Ekaterinburg, Russia fUral Federal University, 620002 Ekaterinburg, Russia gKazan (Volga Region) Federal University, 420008 Kazan, Russia
Abstract
We propose the new method of fluid structure investigation which is based on numerical analytical continuation of structural correlation functions with Pade approximants. The method particularly allows extracting hidden structural features of non-ordered condensed matter systems from experimental diffraction data. The method has been applied to investigating the local order of liquid gallium which has non-trivial structure in both the liquid and solid states. Processing the correlation functions obtained from molecular dynamic simulations, we show the method proposed reveals non-trivial structural features of liquid gallium such as the spectrum of length-scales and the existence of different types of local clusters in the liquid. |