|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Computational Design and Simulation of Materials (CDSM 2018): Atomistic Simulations
||First Principles Modeling of Non-basal Deformation Modes in Mg-Y Alloys
||Daniel Buey, Maryam Ghazisaeidi
|On-Site Speaker (Planned)
Magnesium’s use as a structural material in automotive and aerospace industries is limited by its poor room temperature ductility, resulting from an anisotropic deformation response of the hexagonal close packed crystal structure. Alloying with yttrium has been shown to improve the ductility while maintaining strength, though the atomic scale mechanisms for this are not well understood. To that end, the energy resulting from solute interaction with a dislocation is determined for second-order pyramidal and tension twinning slip systems (the primary non-basal deformation modes), and applied to a solid solution strengthening model in order to determine the relative strengthening effect on basal and non-basal slip. The results indicate a more isotopic deformation response, corresponding to an expected increase in ductility. However, the addition of yttrium solutes is found to significantly change the geometry of the dislocation, necessitating a new method for representing these systems in order to determine the strengthening effects.
||Planned: Supplemental Proceedings volume