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- W1981890989 abstract "The Gibbs-Bogoliubov inequality is used to compute the thermodynamics and structural properties of alkali metals and Mg, Cd, Al, In, Tl, Pb using the soft sphere (SS) reference fluid. The results are compared with earlier calculations using the charged hard sphere (CHS) as a reference fluid. It is concluded that the SS reference fluid gives better results than the CHS for the quantities investigated and yields, in all cases, lower values for the free energy, thus indicating that the SS is a preferred system. From the structural point of view, the SS predicts better agreement with experiments for the position of maxima and minima of the structure factor, although it tends to overemphasize the peaks in all cases when compared with the CHS. It is suggested on the basis of the calculations that the SS could be used for more calculations involving fluid variational perturbation approach because of its relative simplicity and ability to produce remarkably good results for structure and thermodynamics of liquid metals when computed values are compared with experiments.Nous avons utilise l'inegalite de Gibbs et Bogoliubov pour calculer les proprietes thermodynamiques et structurelles des metaux alcalins, et celles des metaux Mg, Cd, Al, In, Tl, Pb, en employant le modele des spheres molles (SS). Ces resultats sont compares avec ceux obtenus precedemment en employant le modele des spheres dures chargees (CHS). Nous en concluons que le modele SS donne de meilleurs resultats que le modele CHS pour les proprietes etudiees, et que dans tous les cas, des valeurs moins elevees de l'energie libre sont obtenues, ce qui indique que le modele SS est plus favorable. Du point de vue structurel, le modele SS permet de rapprocher les valeurs des maximums et des minimums du facteur de reflexion des valeurs experimentales, bien qu'il conduise a l'exageration des niveaux des sommets a chaque fois, par rapport aux resultats obtenus avec le modele CHS. Sur la base de nos calculs, nous suggerons que le modele SS peut etre utile dans les cas ou une methode de perturbation variable d'un fluide est employes, car ce modele est relativement simple et il permei d'obtenir de tres bons resultats pour les proprietes structurelles et thermodynamiques des metaux liquides, ce que demontre l'accord de nos valeurs avec les valeurs experimentales." @default.
- W1981890989 created "2016-06-24" @default.
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- W1981890989 date "1992-01-01" @default.
- W1981890989 modified "2023-09-27" @default.
- W1981890989 title "Thermodynamics and Structure of Liquid Metals from the Soft Sphere Reference Fluid" @default.
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- W1981890989 doi "https://doi.org/10.1002/pssb.2221690103" @default.
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