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• W1980202881 abstract "The authors first demonstrate how their recently suggested calculation of the Helmholtz free energy, F, including the usual high-order pseudopotential perturbation corrections, can be applied to improve the theoretical F significantly so that the mean atomic volume can be determined theoretically with good accuracy, once T is given, for the NFE-like liquid metals and their binary alloys. They then proceed to calculate (i) the bulk modulus and the thermal expansion coefficient for the alkali, Mg and Al metals and the alkali binary alloys in their liquid states in a self-consistent manner and (ii) the free energy and heat of mixing for the Na-K and Na-Cs alloys for which the existing theoretical results are still not satisfactory. Reasonable success is achieved even for the Na-Cs alloys, in which the effects of the valence-electron charge transfer appear to be very important for the mixing properties." @default.
• W1980202881 created "2016-06-24" @default.
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• W1980202881 date "1984-04-01" @default.
• W1980202881 modified "2023-09-25" @default.
• W1980202881 title "Variational calculation of Helmholtz free energies with applications to simple liquid metals and alloys" @default.
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• W1980202881 doi "https://doi.org/10.1088/0305-4608/14/4/007" @default.
• W1980202881 hasPublicationYear "1984" @default.
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