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- W1608712087 abstract "Interaction potentials were developed for a series of molten fluorides and chlorides. The parameterization was based on first principles calculations only, and many-body interactions were introduced via a polarization term. These potentials were then used in molecular dynamics simulations, from which many properties of the liquids, such as the speciation or the transport coefficients could be predicted." @default.
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- W1608712087 date "2014-05-11" @default.
- W1608712087 modified "2023-10-13" @default.
- W1608712087 title "Molten Salts: from First Principles to Material Properties" @default.
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- W1608712087 doi "https://doi.org/10.1002/9781118448847.ch3b" @default.
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