Evidence from numerical modelling for 3D spreading of [001] screw dislocations in Mg2SiO4 forsterite

Carrez, P. and Walker, A. M. and Metsue, A. and Cordier, P. (2008) Evidence from numerical modelling for 3D spreading of [001] screw dislocations in Mg2SiO4 forsterite. Philosophical Magazine, 88 (16). pp. 2477-2485. ISSN 1478-6443 (electronic) 1478-6435 (paper) DOI https://doi.org/10.1080/14786430802363804

[img] PDF
Restricted to Registered users only

Download (369kB)
Official URL: http://www.informaworld.com/10.1080/14786430802363...


Computer simulations have previously been used to derive the atomic scale properties of the cores of screw dislocations in Mg2SiO4 forsterite by direct calculation using parameterized potentials and via the Peierls-Nabarro model using density functional theory. We show that, for the [001] screw dislocation, the parameterized potentials reproduce key features of generalized stacking fault energies when compared to the density functional theory results, but that the predicted structure of the dislocation core differs between direct simulation and the Peierls-Nabarro model. The [001] screw dislocation is shown to exhibit a low-energy non-planar core. It is suggested that for this dislocation to move its core may need to change structure and form a high-energy planar structure similar to that derived from the Peierls-Nabarro model. This could lead to dislocation motion via an unlocking-locking mechanism and explain the common experimental observation of long straight screw dislocation segments in deformed olivine.

Item Type: Article
Uncontrolled Keywords: 08AREP IA57 2008 P
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Philosophical Magazine
Volume: 88
Page Range: pp. 2477-2485
Identification Number: https://doi.org/10.1080/14786430802363804
Depositing User: Sarah Humbert
Date Deposited: 16 Feb 2009 13:01
Last Modified: 23 Jul 2013 10:01
URI: http://eprints.esc.cam.ac.uk/id/eprint/189

Actions (login required)

View Item View Item

About cookies