Effect of Mg impurities on sapphire’s strength: a multiscale simulation approach

Abstract eng:
This paper presents a study on the effect of Mg impurities on the mechanical properties of sapphire using a multi-scale simulation approach called bridging cell method (BCM). BCM performs a finite element framework throughout the system where it decomposes the problem into atomistic, bridging and continuum domains to develop macro scale models capable of accounting for nanoscale defects within the atomistic domain. The most resistant crystal plane of sapphire, C-plane, is selected for this study, and the stress distribution and the variations of ultimate tensile strength (UTS) of the material is investigated in presence of biaxial loads at two finite temperatures of 300K and 1600K. Results showed symmetric stress distribution for the selected orientations, and the magnitude of stresses increased as the temperature elevated. However, C-plane retained most of its initial UTS at high temperatures and in presence of Mg impurities.

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