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from first-principles, calculate phase equilibria of oxides and nitrides as a function of chemical potential (partial pressure) of oxygen and nitrogen
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Michael S Titus
Michael S Titus change_comp, create_calculation_database works, need to finish solve_…
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README.md

alloy_oxidation

from first-principles, calculate phase equilibria of oxides and nitrides as a function of chemical potential (partial pressure) of oxygen and nitrogen

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