Browsing by Author "Hart, GLW"
Now showing items 1-3 of 3
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Comprehensive search for new phases and compounds in binary alloy systems based on platinum-group metals, using a computational first-principles approach
(Physical Review X, 2014-02-14)We report a comprehensive study of the binary systems of the platinum-group metals with the transition metals, using high-throughput first-principles calculations. These computations predict stability of new compounds in ... -
Ordered magnesium-lithium alloys: First-principles predictions
(Physical Review B - Condensed Matter and Materials Physics, 2010-01-26)Magnesium-lithium (Mg-Li) alloys are among the lightest structural materials. Although considerable work has been done on the Mg-Li system, little is known regarding potential ordered phases. A first and rapid analysis of ... -
Structure maps for hcp metals from first-principles calculations
(Physical Review B - Condensed Matter and Materials Physics, 2010-05-10)The ability to predict the existence and crystal type of ordered structures of materials from their components is a major challenge of current materials research. Empirical methods use experimental data to construct structure ...
