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- W2087357102 abstract "The Hamiltonian for the ions of a metal can be separated into (i) a structure-dependent part involving all Fourier components of the pseudopotential except the zeroth and (ii) a volume (structure-independent) part to which the zeroth component contributes. For a specified volume, part (i) alone describes the entropy. In earlier work, it was shown that when the observed volumes are used as input information there exists a set of suitably parametrised empty-core pseudopotentials which can be used to calculate the entropies of pure liquid metals and their entropies of mixing. To calculate volumes, both parts (i) and (ii) are needed. It is shown that the pseudopotentials used earlier can be supplemented by nonlocal zeroth Fourier components so as to achieve satisfactory volumes, bulk moduli and thermal expansion coefficients in the pure liquid metals as well as semiquantitative agreement for the excess quantities on mixing." @default.
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- W2087357102 date "1979-02-01" @default.
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- W2087357102 title "Volumes of mixing of liquid metals" @default.
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- W2087357102 doi "https://doi.org/10.1088/0305-4608/9/2/012" @default.
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