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 Study on the Stability of Vacancy Formation in a Mg-Zn-Y Alloy with Long-period Stacking Ordered Structure |
Author(s) |
Takao Tsumuraya, Hiroyoshi Momida, Tamio Oguchi |
On-Site Speaker (Planned) |
Takao Tsumuraya |
Abstract Scope |
A dilute Magnesium (Mg) based alloy with a nominal composition of Mg97Zn1Y2 exhibit a remarkable high tensile yield strength of 600MPa. This strength is coupled with a unique atomistic structure where a concentration of solute atoms (Zn, Y) appears on the (0001) plane in a few hcp Mg matrix layers. Shockley’s partial dislocations occur in the concentrated solute atom layers. The stacking sequence is relatively long along the c-axis, and it refers to as long-period stacking ordered (LPSO) structure.
In this study, to clarify the microscopic origin of the phase stabilities of LPSO structures, we calculate heats of formation and electronic structure of an Mg-Zn-Y alloy using first-principle calculations.
We show how the geometry of solute clusters embedded in the Mg matrix affects electronic structure near the Fermi level that determines the structural stabilities. We also discuss the possible realization of vacancy formation in Mg-Zn-Y alloy using a convex hull. |
Proceedings Inclusion? |
Planned: At-meeting proceedings |