First-principles phase diagram calculations for the carbonate quasibinary systems CaCO3-ZnCO3, CdCO3-ZnCO3, CaCO3-CdCO3 and MgCO3-ZnCO3
Authors:
- Z.T.Y. LiuZLZ.T.Y. Liu
- B.P. BurtonBBB.P. Burton
- S.V. KhareSKS.V. Khare
- P. SarinPSP. Sarin
- 1 December 2016
- journal article
- Published by Elsevier in Chemical Geology
- Vol. 443, 137-145
Abstract
No abstract availableFunding Information
- National Science Foundation (CMMI 1234777, 1629239)
This publication has 72 references indexed in Scilit:
- First principles phase diagram calculations for the octahedral-interstitial system αTiOX, 0≤X≤1/2Calphad, 2012
- Zincian dolomite: A peculiar dedolomitization case?Geology, 2011
- First-principles determination of low-temperature order and ground states of Fe-Ni, Fe-Pd, and Fe-PtPhysical Review B, 2009
- First-principles phase diagram calculations for the HfC–TiC, ZrC–TiC, and HfC–ZrC solid solutionsPhysical Review B, 2009
- First-principles phase diagram calculations for the system NaCl–KCl: The role of excess vibrational entropyChemical Geology, 2006
- First-principles-based calculations of the CaCO 3 -MgCO 3 and CdCO 3 -MgCO 3 subsolidus phase diagramsPhysics and Chemistry of Minerals, 2003
- Projector augmented-wave methodPhysical Review B, 1994
- Phase Equilibria in the System CaCO3-MgCO3-FeCO3Journal of Petrology, 1987
- Zincian dolomite from broken hill, New South WalesJournal of the Geological Society of Australia, 1983
- Finite Elastic Strain of Cubic CrystalsPhysical Review B, 1947