Hydrogen induced phase transition in magnesium: An Ab initio study
K Klyukin, MG Shelyapina, D Fruchart - Journal of alloys and compounds, 2013 - Elsevier
K Klyukin, MG Shelyapina, D Fruchart
Journal of alloys and compounds, 2013•ElsevierHere we report results of Ab initio calculations on phase transitions in bulk magnesium, as
well as those occurring upon hydrogenation. The calculations have been carried out within
the framework of the FLAPW method. Possible pathways of hydrogen induced phase
transitions are discussed.
well as those occurring upon hydrogenation. The calculations have been carried out within
the framework of the FLAPW method. Possible pathways of hydrogen induced phase
transitions are discussed.
Abstract
Here we report results of Ab initio calculations on phase transitions in bulk magnesium, as well as those occurring upon hydrogenation. The calculations have been carried out within the framework of the FLAPW method. Possible pathways of hydrogen induced phase transitions are discussed.
Elsevier
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