The pressure–temperature phase diagram of MgH2 and isotopic substitution
(2011)
Journal Article
Moser, D., Baldissin, G., Bull, D., Riley, D., Morrison, I., Ross, D., …Noreus, D. (2011). The pressure–temperature phase diagram of MgH2 and isotopic substitution. Journal of Physics: Condensed Matter, 23(30), 305403. https://doi.org/10.1088/0953-8984/23/30/305403
Computational thermodynamics using density functional theory ab initio codes is a powerful tool for calculating phase diagrams. The method is usually applied at the standard pressure of p = 1 bar and where the Gibbs energy is assumed to be equal to t... Read More about The pressure–temperature phase diagram of MgH2 and isotopic substitution.