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    TAR

    NaCl-KCl 

    Burton, Bejnamin P.; van de Walle, Axel
    First principles phase diagram calculations were performed for the system NaCl-KCl. Planewave pseudopotential calculations of formation energies were used as a basis for fitting cluster expansion Hamiltonians, both with- ...

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    Author
    Burton, Bejnamin P. (1)
    van de Walle, Axel (1)
    Subject
    NaCl-KCl, First Principles Phase Diagram Calculation, Excess vibrational entropy (1)
    ... View MoreHas File(s)Yes (1)

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