Browsing First Principles Phase Stability (FPPS) Files by Subject "CaCO3–MgCO3"

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    • CaCO3-MgCO3 CdCO3–MgCO Subsolidus phase diagrams 

      Burton, Benjamin P. (2013-04-03)
      Planewave pseudopotential calculations of supercell total energies were used as bases for first-principles calculations of the CaCO3–MgCO3 and CdCO3–MgCO3 phase diagrams. Calculated phase diagrams are in qualitative to ...