About this Abstract |
Meeting |
12th International Conference on Magnesium Alloys and their Applications (Mg2021)
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Symposium
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12th International Conference on Magnesium Alloys and their Applications (Mg 2021)
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Presentation Title |
First-principles Calculations of Phonon States in LPSO Magnesium Alloys |
Author(s) |
Daisuke Matsunaka |
On-Site Speaker (Planned) |
Daisuke Matsunaka |
Abstract Scope |
Several magnesium alloys include long period stacking ordered (LPSO) structures which consist of periodic arrangement of basal stacking faults and enrichment of solute atoms in the vicinity of the stacking faults. The solute-enriched layers give rise to a significant mass change as well as local stiffness due to the L12-type solute clusters, which affect the lattice vibration properties of the LPSO structures. Our previous study showed that for a heavy enough mass change, a phonon-mediated interaction of the solute-enriched layers is attractive and stabilizes the periodic stacking of the solute-enriched layers. In this study, we analyze phonon states of LPSO magnesium alloys, using first-principles calculations. We calculate phonon density of states and phonon dispersion based on the density functional perturbation theory. |
Proceedings Inclusion? |
Planned: At-meeting proceedings |