BS

Bo Sundman

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Authored

Results from DFT calculations are in many cases equivalent to experimental data. They describe a set of properties of a phase at a well-defined composition and temperature, T, most often at 0 K. In order to be practically useful in materials design, such data must be fitted to a ...

Thermodynamic assessment of the neptunium-oxygen system:

Mass spectrometrics studies and thermodynamic modelling