Pressure sensitivity of olivine slip systems: first-principle calculations of generalised stacking faults

• Published in: Physics and chemistry of minerals 2005-12, Vol.32 (8-9), p.646-654
• Main Authors: Durinck, J., Legris, A., Cordier, P.
• Format: Article
• Language: English
• Subjects: Anisotropy; Chemical Sciences; First principles; Forsterite; Mathematical analysis; Mechanical properties; Olivine; Plastic anisotropy; Silicates; Silicon; Slip; Stacking faults
• ISSN: 0342-1791; 1432-2021
• DOI: 10.1007/s00269-005-0041-2

We have used a first-principle approach based on the calculation of generalised stacking faults (GSF) to study the influence of pressure on the mechanical properties of forsterite. Six cases corresponding to [100] glide over (010), (021) and (001), and [001] glide over (100), (010) and (110) have been considered. The relaxed energy barriers associated with plastic shear have been calculated by constraining the Si atoms to move perpendicular to the fault plane and allowing Mg and O atoms to move in every direction. These conditions, which preserve dilations as a relaxation process, introduce Si–O tetrahedral tilting as an additional relaxation mechanism. Relaxed GSF show little plastic anisotropy of [100] glide over different planes and confirms that [001] glide is intrinsically easier than [100] glide. The GSF are affected by the application of a 10 GPa confining pressure with a different response for each slip system that cannot be explained by sole elastic effect. In particular, [100](010) is found to harden significantly under pressure compared to [001](010). Our results give the first theoretical framework to understand the pressure-induced change of dominant slip systems observed by Couvy et al. (in Eur J Mineral 16(6):877–889, 2004) and P. Raterron et al. (in GRL, submitted). It appears necessary to account for the influence of pressure on the mechanical properties of silicates in the context of the deep Earth.